From 81d50a065f4f7874c078e57bffc4da1b66763ccb Mon Sep 17 00:00:00 2001 From: Josh C Date: Sun, 13 Nov 2022 21:08:29 -0500 Subject: [PATCH 01/30] Basic, untested commit of SConstruct files --- .../build/SConstruct | 20 +++++++++++++++++++ .../external/ANN/src/SConscript | 2 ++ .../src/SConscript | 2 ++ 3 files changed, 24 insertions(+) create mode 100644 spatialpy/solvers/c_base/ssa_sdpd-c-simulation-engine/build/SConstruct create mode 100644 spatialpy/solvers/c_base/ssa_sdpd-c-simulation-engine/external/ANN/src/SConscript create mode 100644 spatialpy/solvers/c_base/ssa_sdpd-c-simulation-engine/src/SConscript diff --git a/spatialpy/solvers/c_base/ssa_sdpd-c-simulation-engine/build/SConstruct b/spatialpy/solvers/c_base/ssa_sdpd-c-simulation-engine/build/SConstruct new file mode 100644 index 00000000..30fefeba --- /dev/null +++ b/spatialpy/solvers/c_base/ssa_sdpd-c-simulation-engine/build/SConstruct @@ -0,0 +1,20 @@ +model = ARGUMENTS.get('MODEL') +core_dir = ARGUMENTS.get('CORE_DIR') +output_root = ARGUMENTS.get('OUTPUT') + +env = Environment( + tools=['default', 'mingw'], + CPPPATH=[ + Dir(f'{core_dir}/include'), + Dir(f'{core_dir}/external/ANN/include'), + ], +) + +VariantDir(output_root, f'{core_dir}/src', duplicate=False) +VariantDir(f'{output_root}/external', f'{core_dir}/external', duplicate=False) + +Export('env') +SConscript(f'{core_dir}/external/ANN/src/SConscript') +SConscript(f'{core_dir}/src/SConscript') + +env.Program('ssa_sdpd', model, LIBS=['spatialpy-core', 'ANN']) diff --git a/spatialpy/solvers/c_base/ssa_sdpd-c-simulation-engine/external/ANN/src/SConscript b/spatialpy/solvers/c_base/ssa_sdpd-c-simulation-engine/external/ANN/src/SConscript new file mode 100644 index 00000000..b880a0eb --- /dev/null +++ b/spatialpy/solvers/c_base/ssa_sdpd-c-simulation-engine/external/ANN/src/SConscript @@ -0,0 +1,2 @@ +Import('env') +env.StaticLibrary('ANN') # TODO diff --git a/spatialpy/solvers/c_base/ssa_sdpd-c-simulation-engine/src/SConscript b/spatialpy/solvers/c_base/ssa_sdpd-c-simulation-engine/src/SConscript new file mode 100644 index 00000000..7871a974 --- /dev/null +++ b/spatialpy/solvers/c_base/ssa_sdpd-c-simulation-engine/src/SConscript @@ -0,0 +1,2 @@ +Import('env') +env.StaticLibrary('spatialpy-core') # TODO From f6f2ab4d13c1a9821e2cd8f3fdb45ae6268cf087 Mon Sep 17 00:00:00 2001 From: Josh C Date: Sun, 18 Dec 2022 14:42:28 -0500 Subject: [PATCH 02/30] Changed all .c files to .cpp and .h files to .hpp --- .../include/{count_cores.h => count_cores.hpp} | 0 .../ssa_sdpd-c-simulation-engine/include/{model.h => model.hpp} | 0 .../ssa_sdpd-c-simulation-engine/include/{output.h => output.hpp} | 0 .../include/{pthread_barrier.h => pthread_barrier.hpp} | 0 .../{read_lammps_input_file.h => read_lammps_input_file.hpp} | 0 .../src/{count_cores.c => count_cores.cpp} | 0 .../ssa_sdpd-c-simulation-engine/src/{model.c => model.cpp} | 0 .../ssa_sdpd-c-simulation-engine/src/{output.c => output.cpp} | 0 .../src/{pthread_barrier.c => pthread_barrier.cpp} | 0 .../src/{read_lammps_input_file.c => read_lammps_input_file.cpp} | 0 .../src/{simulate_threads.c => simulate_threads.cpp} | 0 11 files changed, 0 insertions(+), 0 deletions(-) rename spatialpy/solvers/c_base/ssa_sdpd-c-simulation-engine/include/{count_cores.h => count_cores.hpp} (100%) rename spatialpy/solvers/c_base/ssa_sdpd-c-simulation-engine/include/{model.h => model.hpp} (100%) rename spatialpy/solvers/c_base/ssa_sdpd-c-simulation-engine/include/{output.h => output.hpp} (100%) rename spatialpy/solvers/c_base/ssa_sdpd-c-simulation-engine/include/{pthread_barrier.h => pthread_barrier.hpp} (100%) rename spatialpy/solvers/c_base/ssa_sdpd-c-simulation-engine/include/{read_lammps_input_file.h => read_lammps_input_file.hpp} (100%) rename spatialpy/solvers/c_base/ssa_sdpd-c-simulation-engine/src/{count_cores.c => count_cores.cpp} (100%) rename spatialpy/solvers/c_base/ssa_sdpd-c-simulation-engine/src/{model.c => model.cpp} (100%) rename spatialpy/solvers/c_base/ssa_sdpd-c-simulation-engine/src/{output.c => output.cpp} (100%) rename spatialpy/solvers/c_base/ssa_sdpd-c-simulation-engine/src/{pthread_barrier.c => pthread_barrier.cpp} (100%) rename spatialpy/solvers/c_base/ssa_sdpd-c-simulation-engine/src/{read_lammps_input_file.c => read_lammps_input_file.cpp} (100%) rename spatialpy/solvers/c_base/ssa_sdpd-c-simulation-engine/src/{simulate_threads.c => simulate_threads.cpp} (100%) diff --git a/spatialpy/solvers/c_base/ssa_sdpd-c-simulation-engine/include/count_cores.h b/spatialpy/solvers/c_base/ssa_sdpd-c-simulation-engine/include/count_cores.hpp similarity index 100% rename from spatialpy/solvers/c_base/ssa_sdpd-c-simulation-engine/include/count_cores.h rename to spatialpy/solvers/c_base/ssa_sdpd-c-simulation-engine/include/count_cores.hpp diff --git a/spatialpy/solvers/c_base/ssa_sdpd-c-simulation-engine/include/model.h b/spatialpy/solvers/c_base/ssa_sdpd-c-simulation-engine/include/model.hpp similarity index 100% rename from spatialpy/solvers/c_base/ssa_sdpd-c-simulation-engine/include/model.h rename to spatialpy/solvers/c_base/ssa_sdpd-c-simulation-engine/include/model.hpp diff --git a/spatialpy/solvers/c_base/ssa_sdpd-c-simulation-engine/include/output.h b/spatialpy/solvers/c_base/ssa_sdpd-c-simulation-engine/include/output.hpp similarity index 100% rename from spatialpy/solvers/c_base/ssa_sdpd-c-simulation-engine/include/output.h rename to spatialpy/solvers/c_base/ssa_sdpd-c-simulation-engine/include/output.hpp diff --git a/spatialpy/solvers/c_base/ssa_sdpd-c-simulation-engine/include/pthread_barrier.h b/spatialpy/solvers/c_base/ssa_sdpd-c-simulation-engine/include/pthread_barrier.hpp similarity index 100% rename from spatialpy/solvers/c_base/ssa_sdpd-c-simulation-engine/include/pthread_barrier.h rename to spatialpy/solvers/c_base/ssa_sdpd-c-simulation-engine/include/pthread_barrier.hpp diff --git a/spatialpy/solvers/c_base/ssa_sdpd-c-simulation-engine/include/read_lammps_input_file.h b/spatialpy/solvers/c_base/ssa_sdpd-c-simulation-engine/include/read_lammps_input_file.hpp similarity index 100% rename from spatialpy/solvers/c_base/ssa_sdpd-c-simulation-engine/include/read_lammps_input_file.h rename to spatialpy/solvers/c_base/ssa_sdpd-c-simulation-engine/include/read_lammps_input_file.hpp diff --git a/spatialpy/solvers/c_base/ssa_sdpd-c-simulation-engine/src/count_cores.c b/spatialpy/solvers/c_base/ssa_sdpd-c-simulation-engine/src/count_cores.cpp similarity index 100% rename from spatialpy/solvers/c_base/ssa_sdpd-c-simulation-engine/src/count_cores.c rename to spatialpy/solvers/c_base/ssa_sdpd-c-simulation-engine/src/count_cores.cpp diff --git a/spatialpy/solvers/c_base/ssa_sdpd-c-simulation-engine/src/model.c b/spatialpy/solvers/c_base/ssa_sdpd-c-simulation-engine/src/model.cpp similarity index 100% rename from spatialpy/solvers/c_base/ssa_sdpd-c-simulation-engine/src/model.c rename to spatialpy/solvers/c_base/ssa_sdpd-c-simulation-engine/src/model.cpp diff --git a/spatialpy/solvers/c_base/ssa_sdpd-c-simulation-engine/src/output.c b/spatialpy/solvers/c_base/ssa_sdpd-c-simulation-engine/src/output.cpp similarity index 100% rename from spatialpy/solvers/c_base/ssa_sdpd-c-simulation-engine/src/output.c rename to spatialpy/solvers/c_base/ssa_sdpd-c-simulation-engine/src/output.cpp diff --git a/spatialpy/solvers/c_base/ssa_sdpd-c-simulation-engine/src/pthread_barrier.c b/spatialpy/solvers/c_base/ssa_sdpd-c-simulation-engine/src/pthread_barrier.cpp similarity index 100% rename from spatialpy/solvers/c_base/ssa_sdpd-c-simulation-engine/src/pthread_barrier.c rename to spatialpy/solvers/c_base/ssa_sdpd-c-simulation-engine/src/pthread_barrier.cpp diff --git a/spatialpy/solvers/c_base/ssa_sdpd-c-simulation-engine/src/read_lammps_input_file.c b/spatialpy/solvers/c_base/ssa_sdpd-c-simulation-engine/src/read_lammps_input_file.cpp similarity index 100% rename from spatialpy/solvers/c_base/ssa_sdpd-c-simulation-engine/src/read_lammps_input_file.c rename to spatialpy/solvers/c_base/ssa_sdpd-c-simulation-engine/src/read_lammps_input_file.cpp diff --git a/spatialpy/solvers/c_base/ssa_sdpd-c-simulation-engine/src/simulate_threads.c b/spatialpy/solvers/c_base/ssa_sdpd-c-simulation-engine/src/simulate_threads.cpp similarity index 100% rename from spatialpy/solvers/c_base/ssa_sdpd-c-simulation-engine/src/simulate_threads.c rename to spatialpy/solvers/c_base/ssa_sdpd-c-simulation-engine/src/simulate_threads.cpp From 3d0ce89a0b759ea446d45f86a18ec20daa41b757 Mon Sep 17 00:00:00 2001 From: Josh C Date: Sun, 18 Dec 2022 15:35:59 -0500 Subject: [PATCH 03/30] Update files to reference .cpp files, fix Makefile --- .../c_base/ssa_sdpd-c-simulation-engine/build/Makefile | 9 +++++---- .../include/read_lammps_input_file.hpp | 2 +- .../propensity_file_template.cpp | 2 +- .../c_base/ssa_sdpd-c-simulation-engine/src/output.cpp | 2 +- .../ssa_sdpd-c-simulation-engine/src/pthread_barrier.cpp | 2 +- .../src/read_lammps_input_file.cpp | 8 ++++---- .../c_base/ssa_sdpd-c-simulation-engine/src/simulate.cpp | 6 +++--- .../ssa_sdpd-c-simulation-engine/src/simulate_rdme.cpp | 2 +- .../src/simulate_threads.cpp | 6 +++--- spatialpy/solvers/solver.py | 2 +- 10 files changed, 21 insertions(+), 20 deletions(-) diff --git a/spatialpy/solvers/c_base/ssa_sdpd-c-simulation-engine/build/Makefile b/spatialpy/solvers/c_base/ssa_sdpd-c-simulation-engine/build/Makefile index 0d61c901..f5c9d0d5 100644 --- a/spatialpy/solvers/c_base/ssa_sdpd-c-simulation-engine/build/Makefile +++ b/spatialpy/solvers/c_base/ssa_sdpd-c-simulation-engine/build/Makefile @@ -1,4 +1,5 @@ -CC = g++ +CC = gcc +C++ = g++ CFLAGS = -c -std=c++14 -Wall -O3 SIMFLAGS = -l. -std=c++14 -Wall -O3 LFLAGS = -pthread -lm @@ -22,14 +23,14 @@ CORE: $(OBJ) # make -d -f $(ROOTINC_ESC)/external/ANN/src/Makefile.spatialpy ROOTINC=$(ROOTINC_ESC) main.o: - $(CC) -c $(GPROFFLAG) $(GDB_FLAG) -o main.o $(MODEL) $(INCDIRPARAMS) $(CFLAGS) + $(C++) -c $(GPROFFLAG) $(GDB_FLAG) -o main.o $(MODEL) $(INCDIRPARAMS) $(CFLAGS) %.o: $(ROOT)/src/%.cpp - $(CC) -c $(GPROFFLAG) $(GDB_FLAG) -o $@ "$<" $(INCDIRPARAMS) $(CFLAGS) + $(C++) -c $(GPROFFLAG) $(GDB_FLAG) -o $@ "$<" $(INCDIRPARAMS) $(CFLAGS) %.o: $(ROOT)/src/%.c $(CC) -c $(GPROFFLAG) $(GDB_FLAG) -o $@ "$<" $(INCDIRPARAMS) $(CFLAGS) ssa_sdpd: main.o - $(CC) $(GPROFFLAG) $(GDB_FLAG) -o ssa_sdpd $(addprefix $(COREDIR)/,$(OBJ)) main.o $(addprefix $(COREDIR)/,$(ANNOBJECTS)) $(LFLAGS) + $(C++) $(GPROFFLAG) $(GDB_FLAG) -o ssa_sdpd $(addprefix $(COREDIR)/,$(OBJ)) main.o $(addprefix $(COREDIR)/,$(ANNOBJECTS)) $(LFLAGS) diff --git a/spatialpy/solvers/c_base/ssa_sdpd-c-simulation-engine/include/read_lammps_input_file.hpp b/spatialpy/solvers/c_base/ssa_sdpd-c-simulation-engine/include/read_lammps_input_file.hpp index 18581750..cfd9001e 100644 --- a/spatialpy/solvers/c_base/ssa_sdpd-c-simulation-engine/include/read_lammps_input_file.hpp +++ b/spatialpy/solvers/c_base/ssa_sdpd-c-simulation-engine/include/read_lammps_input_file.hpp @@ -28,6 +28,6 @@ See the file LICENSE.txt for details. #include "particle_system.hpp" -void read_lammps_input_file(const char*filename, ParticleSystem*system); +void read_lammps_input_file(const char*filename, Spatialpy::ParticleSystem*system); #endif //read_lammps_input_file_h diff --git a/spatialpy/solvers/c_base/ssa_sdpd-c-simulation-engine/propensity_file_template.cpp b/spatialpy/solvers/c_base/ssa_sdpd-c-simulation-engine/propensity_file_template.cpp index d523f72d..8b1e80e7 100644 --- a/spatialpy/solvers/c_base/ssa_sdpd-c-simulation-engine/propensity_file_template.cpp +++ b/spatialpy/solvers/c_base/ssa_sdpd-c-simulation-engine/propensity_file_template.cpp @@ -26,7 +26,7 @@ along with this program. If not, see . #include #include -#include "count_cores.h" +#include "count_cores.hpp" #include "particle_system.hpp" #include "propensities.hpp" #include "simulate.hpp" diff --git a/spatialpy/solvers/c_base/ssa_sdpd-c-simulation-engine/src/output.cpp b/spatialpy/solvers/c_base/ssa_sdpd-c-simulation-engine/src/output.cpp index 023f64ae..a37b75e1 100644 --- a/spatialpy/solvers/c_base/ssa_sdpd-c-simulation-engine/src/output.cpp +++ b/spatialpy/solvers/c_base/ssa_sdpd-c-simulation-engine/src/output.cpp @@ -27,7 +27,7 @@ See the file LICENSE.txt for details. #include #include -#include "output.h" +#include "output.hpp" #include "particle_system.hpp" namespace Spatialpy{ diff --git a/spatialpy/solvers/c_base/ssa_sdpd-c-simulation-engine/src/pthread_barrier.cpp b/spatialpy/solvers/c_base/ssa_sdpd-c-simulation-engine/src/pthread_barrier.cpp index b3573437..254ee855 100644 --- a/spatialpy/solvers/c_base/ssa_sdpd-c-simulation-engine/src/pthread_barrier.cpp +++ b/spatialpy/solvers/c_base/ssa_sdpd-c-simulation-engine/src/pthread_barrier.cpp @@ -25,7 +25,7 @@ along with this program. If not, see . #include -#include "pthread_barrier.h" +#include "pthread_barrier.hpp" #ifdef __APPLE__ diff --git a/spatialpy/solvers/c_base/ssa_sdpd-c-simulation-engine/src/read_lammps_input_file.cpp b/spatialpy/solvers/c_base/ssa_sdpd-c-simulation-engine/src/read_lammps_input_file.cpp index 638e77c1..6a4ed8ee 100644 --- a/spatialpy/solvers/c_base/ssa_sdpd-c-simulation-engine/src/read_lammps_input_file.cpp +++ b/spatialpy/solvers/c_base/ssa_sdpd-c-simulation-engine/src/read_lammps_input_file.cpp @@ -26,10 +26,10 @@ See the file LICENSE.txt for details. #include #include -#include "read_lammps_input_file.h" +#include "read_lammps_input_file.hpp" -void read_lammps_input_file(const char*filename, ParticleSystem*system){ +void read_lammps_input_file(const char*filename, Spatialpy::ParticleSystem*system){ char* s; FILE* fp = fopen(filename, "r"); if(fp == NULL){ @@ -73,7 +73,7 @@ void read_lammps_input_file(const char*filename, ParticleSystem*system){ s=fgets(buffer,1024,fp); //printf("Is this 'Masses': '%s'\n",buffer); s=fgets(buffer,1024,fp); - double *masses_of_types = malloc(sizeof(double)*ntypes); + double *masses_of_types = (double*) std::malloc(sizeof(double)*ntypes); int i,j; double tmp_d; for(i=0;i. #include #include -#include "model.h" -#include "output.h" +#include "model.hpp" +#include "output.hpp" #include "particle_system.hpp" -#include "pthread_barrier.h" +#include "pthread_barrier.hpp" #include "simulate.hpp" #include "simulate_rdme.hpp" diff --git a/spatialpy/solvers/c_base/ssa_sdpd-c-simulation-engine/src/simulate_rdme.cpp b/spatialpy/solvers/c_base/ssa_sdpd-c-simulation-engine/src/simulate_rdme.cpp index 1f88ae1d..351b97b3 100644 --- a/spatialpy/solvers/c_base/ssa_sdpd-c-simulation-engine/src/simulate_rdme.cpp +++ b/spatialpy/solvers/c_base/ssa_sdpd-c-simulation-engine/src/simulate_rdme.cpp @@ -28,7 +28,7 @@ along with this program. If not, see . #include //#include "binheap.h" -#include "output.h" +#include "output.hpp" #include "particle_system.hpp" #include "propensities.hpp" #include "simulate_rdme.hpp" diff --git a/spatialpy/solvers/c_base/ssa_sdpd-c-simulation-engine/src/simulate_threads.cpp b/spatialpy/solvers/c_base/ssa_sdpd-c-simulation-engine/src/simulate_threads.cpp index de60e34b..0c6227ca 100644 --- a/spatialpy/solvers/c_base/ssa_sdpd-c-simulation-engine/src/simulate_threads.cpp +++ b/spatialpy/solvers/c_base/ssa_sdpd-c-simulation-engine/src/simulate_threads.cpp @@ -32,12 +32,12 @@ See the file LICENSE.txt for details. // Include ANN KD Tree #include "ANN/ANN.h" -#include "model.h" -#include "output.h" +#include "model.hpp" +#include "output.hpp" #include "particle_system.hpp" #include "simulate.hpp" #include "simulate_rdme.hpp" -#include "pthread_barrier.h" +#include "pthread_barrier.hpp" namespace Spatialpy{ struct arg { diff --git a/spatialpy/solvers/solver.py b/spatialpy/solvers/solver.py index 0b4cc337..6936f86e 100644 --- a/spatialpy/solvers/solver.py +++ b/spatialpy/solvers/solver.py @@ -460,7 +460,7 @@ def compile(self, debug=False, profile=False): # Match except word characters \w = ([a-zA-Z0-9_]) and \_ = _ replace with '' propfilename = re.sub(r'[^\w\_]', '', self.model_name) self.propfilename = f"{propfilename}_generated_model" - self.prop_file_name = os.path.join(self.build_dir, f'{self.propfilename}.c') + self.prop_file_name = os.path.join(self.build_dir, f'{self.propfilename}.cpp') if self.debug_level >= 1: print(f"Compiling Solver. Build dir: {self.build_dir}") From f8c12ecc2c9b3ff367bb4f4c77b3015e0e8fce41 Mon Sep 17 00:00:00 2001 From: BryanRumsey <44621966+BryanRumsey@users.noreply.github.com> Date: Tue, 3 Jan 2023 10:26:04 -0500 Subject: [PATCH 04/30] Updated version to v1.1.3 --- spatialpy/__version__.py | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/spatialpy/__version__.py b/spatialpy/__version__.py index 849897f6..8bcd3576 100644 --- a/spatialpy/__version__.py +++ b/spatialpy/__version__.py @@ -21,7 +21,7 @@ # @website https://github.com/StochSS/SpatialPy # ============================================================================= -__version__ = '1.1.2' +__version__ = '1.1.3' __title__ = 'SpatialPy' __description__ = 'Python Interface for Spatial Stochastic Biochemical Simulations' __url__ = 'https://spatialpy.github.io/SpatialPy/' From 098e14824a486a6117e8274e8fcaca1b62cecdbd Mon Sep 17 00:00:00 2001 From: Bryan Rumsey Date: Tue, 3 Jan 2023 10:45:22 -0500 Subject: [PATCH 05/30] Fixed auto update docs github action. --- .github/workflows/update-docs.yml | 13 +++++++++---- 1 file changed, 9 insertions(+), 4 deletions(-) diff --git a/.github/workflows/update-docs.yml b/.github/workflows/update-docs.yml index 14ace447..600d9815 100644 --- a/.github/workflows/update-docs.yml +++ b/.github/workflows/update-docs.yml @@ -2,7 +2,7 @@ name: Publish SpatialPy Docs on: push: - branches: [main] + branches: [develop] jobs: publish: @@ -12,7 +12,7 @@ jobs: - name: Initialize environment uses: actions/checkout@v2 with: - ref: main + ref: develop fetch-depth: 0 - name: Install Python @@ -27,10 +27,15 @@ jobs: python3 -m pip install numpy python3 -m pip install -r requirements.txt + - name: Refresh Repository + working-directory: . + run: | + git pull origin develop + - name: Update the Docs working-directory: docs run: | - make build-docs + make html - name: Commit Changes working-directory: docs @@ -43,4 +48,4 @@ jobs: uses: ad-m/github-push-action@master with: github_token: ${{ secrets.GITHUB_TOKEN }} - branch: main + branch: develop From d726f35387b76221b3ff438ed10e08713c69d446 Mon Sep 17 00:00:00 2001 From: "github-actions[bot]" <41898282+github-actions[bot]@users.noreply.github.com> Date: Wed, 4 Jan 2023 18:49:57 +0000 Subject: [PATCH 06/30] Latest docs build. --- docs/build/html/.buildinfo | 2 +- docs/build/html/.doctrees/environment.pickle | Bin 748076 -> 748960 bytes docs/build/html/.doctrees/index.doctree | Bin 14685 -> 14685 bytes docs/build/html/_modules/index.html | 2 +- .../spatialpy/core/boundarycondition.html | 46 ++-- .../html/_modules/spatialpy/core/cleanup.html | 22 +- .../_modules/spatialpy/core/datafunction.html | 18 +- .../html/_modules/spatialpy/core/domain.html | 155 ++++++------ .../_modules/spatialpy/core/geometry.html | 40 ++-- .../spatialpy/core/initialcondition.html | 56 ++--- .../html/_modules/spatialpy/core/lattice.html | 140 ++++++----- .../html/_modules/spatialpy/core/model.html | 220 +++++++++--------- .../_modules/spatialpy/core/parameter.html | 24 +- .../_modules/spatialpy/core/reaction.html | 98 ++++---- .../html/_modules/spatialpy/core/result.html | 66 +++--- .../spatialpy/core/spatialpyerror.html | 46 ++-- .../html/_modules/spatialpy/core/species.html | 30 +-- .../_modules/spatialpy/core/timespan.html | 34 +-- .../spatialpy/core/transformation.html | 70 +++--- .../spatialpy/core/visualization.html | 26 ++- .../_modules/spatialpy/core/vtkreader.html | 34 +-- .../spatialpy/solvers/build_expression.html | 138 +++++------ .../_modules/spatialpy/solvers/solver.html | 215 +++++++++-------- .../spatialpy/stochss/stochss_export.html | 16 +- .../html/_static/documentation_options.js | 2 +- docs/build/html/classes/spatialpy.core.html | 2 +- docs/build/html/classes/spatialpy.html | 8 +- .../build/html/classes/spatialpy.solvers.html | 2 +- .../build/html/classes/spatialpy.stochss.html | 2 +- docs/build/html/genindex.html | 2 +- docs/build/html/index.html | 4 +- docs/build/html/objects.inv | Bin 3153 -> 3153 bytes docs/build/html/py-modindex.html | 2 +- docs/build/html/search.html | 2 +- docs/build/html/searchindex.js | 2 +- 35 files changed, 801 insertions(+), 725 deletions(-) diff --git a/docs/build/html/.buildinfo b/docs/build/html/.buildinfo index 09dbd4ca..63c4d090 100644 --- a/docs/build/html/.buildinfo +++ b/docs/build/html/.buildinfo @@ -1,4 +1,4 @@ # Sphinx build info version 1 # This file hashes the configuration used when building these files. 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zq0<|4Pr$vmA~^xFY=sj|LfQ480W& z!QMPKW!YwTnI1`XoslBH*)N+&pN8OlkYIqAwwbXr+BkQJpMzMbgmPGDCm5^Pvf04p znLs?@!8NL8&@l-jIjM5ohH4xkvVKzm5LNFODJWp&_n?e?yiU?J^h(mYRn^IUj2LJf zW~;0o7E&)5e;<69h@y2}%7f-wYul!G=kv)SR6x*|+@SJQG`p51<8Rvec^}?9oq&+? z3ddeNa?RC+2%3!XY0TG^V{b(ZSLE>$9E5~WN@D#OQX{6algZ$xb8!d~6KB!2h*dXX zf=ynzK0sDK+d1S?qolFi>s?veV5hDOv1n=GZJ#Ri(#nIult<3#0tnk*><#;CA`J3C zHkR;(OfFS|fK77m0L4lueZ1CUOGkKT36c43-zu5G31K%3!cn}PbV-)n`I6k zH6V+1v?<#VaT3RQQa_QengeD|BdTQGFX-V4RktepHL2{D^Y^@nAmaL#wgSxk8~Cw^ zy;U`fhER0VmvV1d$f3ovWqr&Q8uvh4*ezKSUapynb - Overview: module code — SpatialPy 1.1.2 documentation + Overview: module code — SpatialPy 1.1.3 documentation diff --git a/docs/build/html/_modules/spatialpy/core/boundarycondition.html b/docs/build/html/_modules/spatialpy/core/boundarycondition.html index e7a2d18e..c5979198 100644 --- a/docs/build/html/_modules/spatialpy/core/boundarycondition.html +++ b/docs/build/html/_modules/spatialpy/core/boundarycondition.html @@ -5,14 +5,16 @@ - spatialpy.core.boundarycondition — SpatialPy 1.1.0 documentation + spatialpy.core.boundarycondition — SpatialPy 1.1.3 documentation + + @@ -73,7 +75,7 @@

Quick search

- + @@ -107,11 +109,11 @@

Source code for spatialpy.core.boundarycondition

# You should have received a copy of the GNU General Public License # along with this program. If not, see <http://www.gnu.org/licenses/>. -from spatialpy.core.spatialpyerror import BoundaryConditionError +from spatialpy.core.spatialpyerror import BoundaryConditionError
[docs]class BoundaryCondition(): - """ + """ Set spatial regions of the domain where a property of particles are held constant (updated each simulation step) @@ -161,10 +163,10 @@

Source code for spatialpy.core.boundarycondition

:type model: spatialpy.core.model.Model """ - def __init__(self, xmin=None, xmax=None, ymin=None, ymax=None, zmin=None, zmax=None, + def __init__(self, xmin=None, xmax=None, ymin=None, ymax=None, zmin=None, zmax=None, type_id=None, deterministic=True, target=None, value=None, model=None): - from spatialpy.core.model import Model # pylint: disable=import-outside-toplevel - from spatialpy.core.species import Species # pylint: disable=import-outside-toplevel + from spatialpy.core.model import Model # pylint: disable=import-outside-toplevel + from spatialpy.core.species import Species # pylint: disable=import-outside-toplevel if xmin is not None and not isinstance(xmin, (int, float)): raise BoundaryConditionError("X-min must be of type int or float.") if xmax is not None and not isinstance(xmax, (int, float)): @@ -182,7 +184,7 @@

Source code for spatialpy.core.boundarycondition

elif type_id is not None: if "UnAssigned" in type_id: raise BoundaryConditionError("'UnAssigned' is not a valid type_id") - type_id = f"type_{type_id}" + type_id = f"type_{type_id}" if target is None or not (isinstance(target, (str, Species)) or type(target).__name__ == 'Species' or property in ('nu', 'rho', 'v')): raise BoundaryConditionError("Target must be of type string or SpatialPy.Species") @@ -212,7 +214,7 @@

Source code for spatialpy.core.boundarycondition

[docs] def expression(self): - """ + """ Creates evaluable string expression of boundary condition. :returns: A string representation of the boundary condition. @@ -222,26 +224,26 @@

Source code for spatialpy.core.boundarycondition

raise BoundaryConditionError("Must set value") cond=[] if self.xmin is not None: - cond.append(f"(me->x[0] >= {self.xmin})") + cond.append(f"(me->x[0] >= {self.xmin})") if self.xmax is not None: - cond.append(f"(me->x[0] <= {self.xmax})") + cond.append(f"(me->x[0] <= {self.xmax})") if self.ymin is not None: - cond.append(f"(me->x[1] >= {self.ymin})") + cond.append(f"(me->x[1] >= {self.ymin})") if self.ymax is not None: - cond.append(f"(me->x[1] <= {self.ymax})") + cond.append(f"(me->x[1] <= {self.ymax})") if self.zmin is not None: - cond.append(f"(me->x[2] >= {self.zmin})") + cond.append(f"(me->x[2] >= {self.zmin})") if self.zmax is not None: - cond.append(f"(me->x[2] <= {self.zmax})") + cond.append(f"(me->x[2] <= {self.zmax})") if self.type_id is not None: - cond.append(f"(me->type == {self.type_id})") + cond.append(f"(me->type == {self.type_id})") if len(cond)==0: raise BoundaryConditionError('need at least one condition on the BoundaryCondition') bcstr = "if(" + '&&'.join(cond) + "){" if self.target in self.model.listOfSpecies: if self.deterministic: s_ndx = self.model.species_map[self.model.listOfSpecies[self.target]] - bcstr += f"me->C[{s_ndx}] = {self.value};" + bcstr += f"me->C[{s_ndx}] = {self.value};" else: raise BoundaryConditionError( "BoundaryConditions don't work for stochastic species yet." @@ -249,13 +251,13 @@

Source code for spatialpy.core.boundarycondition

elif self.target is not None: if self.target == 'v': for i in range(3): - bcstr+= f"me->v[{i}]={self.value[i]};" + bcstr+= f"me->v[{i}]={self.value[i]};" elif self.target == 'nu': - bcstr += f"me->nu={self.value};" + bcstr += f"me->nu={self.value};" elif self.target == 'rho': - bcstr += f"me->rho={self.value};" + bcstr += f"me->rho={self.value};" else: - raise BoundaryConditionError(f"Unable handle boundary condition for property '{self.target}'") + raise BoundaryConditionError(f"Unable handle boundary condition for property '{self.target}'") bcstr+= "}" return bcstr
@@ -277,7 +279,7 @@

Source code for spatialpy.core.boundarycondition

©Copyright (C) 2019-2022. | - Powered by Sphinx 4.4.0 + Powered by Sphinx 5.3.0 & Alabaster 0.7.12
diff --git a/docs/build/html/_modules/spatialpy/core/cleanup.html b/docs/build/html/_modules/spatialpy/core/cleanup.html index fad73a73..cc7da355 100644 --- a/docs/build/html/_modules/spatialpy/core/cleanup.html +++ b/docs/build/html/_modules/spatialpy/core/cleanup.html @@ -5,14 +5,16 @@ - spatialpy.core.cleanup — SpatialPy 1.1.0 documentation + spatialpy.core.cleanup — SpatialPy 1.1.3 documentation + + @@ -73,7 +75,7 @@

Quick search

- + @@ -112,7 +114,7 @@

Source code for spatialpy.core.cleanup

 import tempfile
 
 
[docs]def cleanup_tempfiles():
-    '''
+    '''
     Cleanup all tempfiles in spatialpy core, build, and results.
     '''
     cleanup_core_files()
@@ -124,10 +126,10 @@ 
Source code for spatialpy.core.cleanup
             cleanup_result_files(result_dir=os.path.join(tempdir, file_obj))

 
 
[docs]def cleanup_core_files():
-    '''
+    '''
     Cleanup all tempfiles in spatialpy core.
     '''
-    from spatialpy.core import log # pylint: disable=import-outside-toplevel
+    from spatialpy.core import log # pylint: disable=import-outside-toplevel
 
     tempdir = tempfile.gettempdir()
     core_dir = os.path.join(tempdir, "spatialpy_core")
@@ -136,13 +138,13 @@ 
Source code for spatialpy.core.cleanup
     log.info("Spatialpy core directory was removed")

 
 
[docs]def cleanup_build_files(build_dir=None):
-    '''
+    '''
     Cleanup all spatialpy_build directories.
 
     :param build_dir: Path to the build directory to be removed. (optional)
     :type build_dir: string
     '''
-    from spatialpy.core import log # pylint: disable=import-outside-toplevel
+    from spatialpy.core import log # pylint: disable=import-outside-toplevel
 
     if build_dir is not None:
         shutil.rmtree(build_dir)
@@ -158,13 +160,13 @@ 
Source code for spatialpy.core.cleanup
         log.info("{} build directories were removed", count)

 
 
[docs]def cleanup_result_files(result_dir=None):
-    '''
+    '''
     Cleanup all spatialpy_result directories.
 
     :param result_dir: Path to the result directory to be removed. (optional)
     :type result_dir: string
     '''
-    from spatialpy.core import log # pylint: disable=import-outside-toplevel
+    from spatialpy.core import log # pylint: disable=import-outside-toplevel
 
     if result_dir is not None:
         shutil.rmtree(result_dir)
@@ -197,7 +199,7 @@ 
Source code for spatialpy.core.cleanup
       ©Copyright (C) 2019-2022.
       
       |
-      Powered by Sphinx 4.4.0
+      Powered by Sphinx 5.3.0
       & Alabaster 0.7.12
       
     

diff --git a/docs/build/html/_modules/spatialpy/core/datafunction.html b/docs/build/html/_modules/spatialpy/core/datafunction.html
index b9a186c6..bd19185f 100644
--- a/docs/build/html/_modules/spatialpy/core/datafunction.html
+++ b/docs/build/html/_modules/spatialpy/core/datafunction.html
@@ -5,14 +5,16 @@
   
     
     
-    spatialpy.core.datafunction — SpatialPy 1.1.0 documentation
+    spatialpy.core.datafunction — SpatialPy 1.1.3 documentation
     
     
     
     
     
     
+    
     
+    
     
     
    
@@ -73,7 +75,7 @@ 
Quick search

     
     

 

-
+
 
 
 
@@ -106,10 +108,10 @@ 
Source code for spatialpy.core.datafunction
 
 # You should have received a copy of the GNU General Public License
 # along with this program.  If not, see <http://www.gnu.org/licenses/>.
-from spatialpy.core.spatialpyerror import DataFunctionError
+from spatialpy.core.spatialpyerror import DataFunctionError
 
 
[docs]class DataFunction():
-    """
+    """
     Abstract class used to constuct the data function.
 
     :param name: Name of the Data Function.
@@ -118,14 +120,14 @@ 
Source code for spatialpy.core.datafunction
     :raises DataFunctionError: If a name is not provided.
     """
 
-    def __init__(self, name=None):
+    def __init__(self, name=None):
         if name is not None:
             self.name = name
         if self.name is None:
             raise DataFunctionError("DataFunction must have a 'name'")
 
 
[docs]    def map(self, point):
-        """
+        """
         This method must be overridden by the DataFunction subclass.
 
         NOTE: The spatial location is evaulated at t=0 and is not \
@@ -137,7 +139,7 @@ 
Source code for spatialpy.core.datafunction
         :returns: Value of function at this spatial location.
         :rtype: float
         """
-        raise DataFunctionError(f"{self.name}: DataFunction.map() must be implemented.")

+        raise DataFunctionError(f"{self.name}: DataFunction.map() must be implemented.")

 

 
           

@@ -157,7 +159,7 @@ 
Source code for spatialpy.core.datafunction
       ©Copyright (C) 2019-2022.
       
       |
-      Powered by Sphinx 4.4.0
+      Powered by Sphinx 5.3.0
       & Alabaster 0.7.12
       
     

diff --git a/docs/build/html/_modules/spatialpy/core/domain.html b/docs/build/html/_modules/spatialpy/core/domain.html
index e44c825f..8de35b83 100644
--- a/docs/build/html/_modules/spatialpy/core/domain.html
+++ b/docs/build/html/_modules/spatialpy/core/domain.html
@@ -5,14 +5,16 @@
   
     
     
-    spatialpy.core.domain — SpatialPy 1.1.0 documentation
+    spatialpy.core.domain — SpatialPy 1.1.3 documentation
     
     
     
     
     
     
+    
     
+    
     
     
    
@@ -73,7 +75,7 @@ 
Quick search
- + @@ -109,26 +111,26 @@

Source code for spatialpy.core.domain

 import copy
 import string
 
-from itertools import combinations
-from collections import OrderedDict
+from itertools import combinations
+from collections import OrderedDict
 
 import numpy
-from plotly.offline import init_notebook_mode, iplot
-from scipy.spatial import KDTree
+from plotly.offline import init_notebook_mode, iplot
+from scipy.spatial import KDTree
 
-from spatialpy.core.geometry import (
+from spatialpy.core.geometry import (
     CombinatoryGeometry, Geometry, GeometryAll
 )
-from spatialpy.core.lattice import (
+from spatialpy.core.lattice import (
     Lattice, CartesianLattice, SphericalLattice, CylindricalLattice,
     XMLMeshLattice, MeshIOLattice, StochSSLattice
 )
-from spatialpy.core.transformation import Transformation
-from spatialpy.core.visualization import Visualization
-from spatialpy.core.spatialpyerror import DomainError
+from spatialpy.core.transformation import Transformation
+from spatialpy.core.visualization import Visualization
+from spatialpy.core.spatialpyerror import DomainError
 
 
[docs]class Domain():
-    """
+    """
     Domain class for SpatialPy.  A domain defines points and attributes of a regional space for simulation.
 
     :param numpoints: Total number of spatial domain points
@@ -155,7 +157,7 @@ 
Source code for spatialpy.core.domain
     :param gravity: Acceleration of gravity for the system.
     :type gravity: float[3]
     """
-    def __init__(self, numpoints, xlim, ylim, zlim, rho0=1.0, c0=10, P0=None, gravity=None, actions=None):
+    def __init__(self, numpoints, xlim, ylim, zlim, rho0=1.0, c0=10, P0=None, gravity=None, actions=None):
         if actions is None:
             actions = []
 
@@ -192,12 +194,12 @@ 
Source code for spatialpy.core.domain
         self.ylim = ylim
         self.zlim = zlim
 
-    def __str__(self):
+    def __str__(self):
         pad = "    "
-        domain_strs = ["Domain Attributes", "", f"{pad}On Boundary: {self.on_boundary}",
-                     f"{pad}Domain Size: {self.domain_size}", f"{pad}RHO_0: {self.rho0}", f"{pad}C_0: {self.c0}",
-                     f"{pad}P_0: {self.P0}", f"{pad}Gravity: {self.gravity}", f"{pad}X Limit: {self.xlim}",
-                     f"{pad}Y Limit: {self.ylim}", f"{pad}Z Limit: {self.zlim}"]
+        domain_strs = ["Domain Attributes", "", f"{pad}On Boundary: {self.on_boundary}",
+                     f"{pad}Domain Size: {self.domain_size}", f"{pad}RHO_0: {self.rho0}", f"{pad}C_0: {self.c0}",
+                     f"{pad}P_0: {self.P0}", f"{pad}Gravity: {self.gravity}", f"{pad}X Limit: {self.xlim}",
+                     f"{pad}Y Limit: {self.ylim}", f"{pad}Z Limit: {self.zlim}"]
 
         print("\n".join(domain_strs))
 
@@ -222,7 +224,7 @@ 
Source code for spatialpy.core.domain
                 self.c[ndx] = float(c)
             self.fixed[ndx] = bool(fixed)
         except ValueError as err:
-            raise DomainError(f"Failed to set all properties. Reaseon given: {err}") from err
+            raise DomainError(f"Failed to set all properties. Reaseon given: {err}") from err
 
     def _ipython_display_(self, use_matplotlib=False):
         self.plot_types(width="auto", height="auto", use_matplotlib=use_matplotlib)
@@ -240,7 +242,7 @@ 
Source code for spatialpy.core.domain
 
 
[docs]    def add_fill_action(self, lattice=None, geometry=None, cartesian=None, spherical=None,
                         cylindrical=None, enable=True, apply_action=False, **props):
-        r"""
+        r"""
         Create an action that can add particles to the domain.
 
         :param lattice: Lattice classed used when applying fill actions.
@@ -294,7 +296,7 @@ 
Source code for spatialpy.core.domain
         return action

 
 
[docs]    def add_point(self, point, vol=1, mass=1, type_id="UnAssigned", nu=0, fixed=False, rho=None, c=10):
-        """
+        """
         Add a single point particle to the domain space.
 
         :param point: Spatial coordinate vertices of point to be added
@@ -328,10 +330,11 @@ 
Source code for spatialpy.core.domain
 
         if isinstance(type_id, int) and type_id <= 0:
             raise DomainError("Type_id must be a non-zero positive integer or a string.")
-        for char in type_id:
-            if (char in string.punctuation and char != "_") or char == " ":
-                raise DomainError(f"Type_id cannot contain '{char}'")
-        type_id = f"type_{type_id}"
+        if isinstance(type_id, str):
+            for char in type_id:
+                if (char in string.punctuation and char != "_") or char == " ":
+                    raise DomainError(f"Type_id cannot contain '{char}'")
+        type_id = f"type_{type_id}"
 
         if rho is None:
             rho = mass / vol
@@ -347,7 +350,7 @@ 
Source code for spatialpy.core.domain
         self.vertices = numpy.append(self.vertices, [point], axis=0)

 
 
[docs]    def add_remove_action(self, geometry=None, enable=True, apply_action=False):
-        """
+        """
         Create an action that can remove particles from the domain.
 
         :param geometry: Geometry classed used when applying set actions. Defaults to spatialpy.GeometryAll.
@@ -372,7 +375,7 @@ 
Source code for spatialpy.core.domain
         return action

 
 
[docs]    def add_set_action(self, geometry=None, enable=True, apply_action=False, **props):
-        r"""
+        r"""
         Create an action that can set particle properties for particles in the domain.
 
         :param geometry: Geometry classed used when applying set actions. Defaults to spatialpy.GeometryAll.
@@ -404,7 +407,7 @@ 
Source code for spatialpy.core.domain
         return action

 
 
[docs]    def apply_actions(self, start=0, end=None, preserve_actions=False):
-        """
+        """
         Apply domain actions in order from start to end.
 
         :param start: Starting index for actions (inclusive).
@@ -433,7 +436,7 @@ 
Source code for spatialpy.core.domain
                 elif action['type'] == "remove":
                     self.apply_remove_action(action)
                 else:
-                    raise DomainError(f"Action of type {action['type']} is not currently supported.")
+                    raise DomainError(f"Action of type {action['type']} is not currently supported.")
 
             if preserve_actions or not action['enable']:
                 start += 1
@@ -443,7 +446,7 @@ 
Source code for spatialpy.core.domain
         return p_count

 
 
[docs]    def apply_fill_action(self, action):
-        """
+        """
         Add particles within a region defined by the actions lattice and geometry to the domain.
         Particles will have attributes defined in the actions props.
 
@@ -463,7 +466,7 @@ 
Source code for spatialpy.core.domain
         return action['lattice'].apply(self, action['geometry'], **action['props'])

 
 
[docs]    def apply_remove_action(self, action):
-        """
+        """
         Remove particles within a domain region defined by the actions geometry.
 
         :param action: Remove action containing a geometry.
@@ -480,8 +483,9 @@ 
Source code for spatialpy.core.domain
 
         # remove the particles that fall within the defined region
         on_boundary = self.find_boundary_points(update=True)
-        for v_ndx in range(self.get_num_voxels()):
-            if action['geometry'].inside(self.coordinates()[v_ndx, :], on_boundary[v_ndx]):
+        for v_ndx, vertex in enumerate(self.vertices):
+            if action['geometry'].inside(vertex, on_boundary[v_ndx]):
+                self.vertices = numpy.delete(self.vertices, v_ndx, 0)
                 self.type_id = numpy.delete(self.type_id, v_ndx, 0)
                 self.vol = numpy.delete(self.vol, v_ndx)
                 self.mass = numpy.delete(self.mass, v_ndx)
@@ -492,7 +496,7 @@ 
Source code for spatialpy.core.domain
                 self.on_boundary = numpy.delete(self.on_boundary, v_ndx)

 
 
[docs]    def apply_set_action(self, action):
-        """
+        """
         Set properties of particles within a domain region defined by the actions geometry.
         Particles will have attributes defined in the actions props.
 
@@ -513,10 +517,11 @@ 
Source code for spatialpy.core.domain
         if "type_id" in action['props']:
             if isinstance(action['props']['type_id'], int) and action['props']['type_id'] <= 0:
                 raise DomainError("Type_id must be a non-zero positive integer or a string.")
-            for char in action['props']['type_id']:
-                if (char in string.punctuation and char != "_") or char == " ":
-                    raise DomainError(f"Type_id cannot contain '{char}'")
-            action['props']['type_id'] = f"type_{action['props']['type_id']}"
+            if isinstance(action['props']['type_id'], str):
+                for char in action['props']['type_id']:
+                    if (char in string.punctuation and char != "_") or char == " ":
+                        raise DomainError(f"Type_id cannot contain '{char}'")
+            action['props']['type_id'] = f"type_{action['props']['type_id']}"
 
         # apply the properties to all points that fall within the defined region
         on_boundary = self.find_boundary_points(update=True)
@@ -525,7 +530,7 @@ 
Source code for spatialpy.core.domain
                 self.__set_particle_properties(v_ndx, **action['props'])

 
 
[docs]    def calculate_vol(self):
-        """
+        """
         Calculate the total volume of the domain.
         """
         self.vol = numpy.zeros((self.vertices.shape[0]), dtype=float)
@@ -546,7 +551,7 @@ 
Source code for spatialpy.core.domain
                 self.vol[v4] += t_vol / 4

 
 
[docs]    def closest_vertex(self, point):
-        """
+        """
         Find the nearest vertex of a given point in the domain.
 
         :param point: Target source point
@@ -565,7 +570,7 @@ 
Source code for spatialpy.core.domain
         return min_vtx

 
 
[docs]    def compile_prep(self):
-        """
+        """
         Generate the domains list of type ids and check for invalid type_ids and rho values
         in preperation of compiling the simulation files.
 
@@ -583,7 +588,7 @@ 
Source code for spatialpy.core.domain
         self.listOfTypeIDs = list(self.typeNdxMapping.values())

 
 
[docs]    def coordinates(self):
-        """
+        """
         Get coordinates within domain.
 
         :returns: Spatial coordinate vertices of points.
@@ -594,7 +599,7 @@ 
Source code for spatialpy.core.domain
 
[docs]    @classmethod
     def create_2D_domain(cls, xlim, ylim, numx, numy, type_id=1, mass=1.0, nu=1.0, rho=None,
                          c=0, fixed=False, enable=True, apply_action=True, **kwargs):
-        r"""
+        r"""
         Create a filled 2D domain
 
         :param xlim: highest and lowest coordinate in the x dimension
@@ -660,7 +665,7 @@ 
Source code for spatialpy.core.domain
 
[docs]    @classmethod
     def create_3D_domain(cls, xlim, ylim, zlim, numx, numy, numz, type_id=1, mass=1.0, nu=1.0,
                          rho=None, c=0, fixed=False, enable=True, apply_action=True, **kwargs):
-        r"""
+        r"""
         Create a filled 3D domain
 
         :param xlim: highest and lowest coordinate in the x dimension
@@ -732,7 +737,7 @@ 
Source code for spatialpy.core.domain
         return obj

 
 
[docs]    def distance_between_2_vertices(self, start, end):
-        """
+        """
         Get distance between 2 domain vertices.
 
         :param start: Starting point
@@ -748,7 +753,7 @@ 
Source code for spatialpy.core.domain
 
 
[docs]    def fill_with_particles(self, geometry_ivar, deltax, deltay=None, deltaz=None, xmin=None, xmax=None,
                             ymin=None, ymax=None, zmin=None, zmax=None, enable=True, apply_action=True, **kwargs):
-        r"""
+        r"""
         Fill a region defined by a cartesian lattice and geometric shape with particles.
 
         :param geometry_ivar: an instance of a :py:class:`spatialpy.core.geometry.Geometry` subclass. \
@@ -802,7 +807,7 @@ 
Source code for spatialpy.core.domain
         )

 
 
[docs]    def find_boundary_points(self, update=False):
-        """
+        """
         Find all vertices that exist on boundary.
 
         :returns: A numpy array indexed by vertices, True for boundary points, else false.
@@ -836,7 +841,7 @@ 
Source code for spatialpy.core.domain
         return self.on_boundary

 
 
[docs]    def find_h(self):
-        """
+        """
         Find h value of system.  This value is based off of \
         the particle which has the greatest distance to \
         its nearest neighbor.
@@ -856,7 +861,7 @@ 
Source code for spatialpy.core.domain
         return h

 
 
[docs]    def get_bounding_box(self):
-        """
+        """
         Get the bounding box of the entire domain.
 
         :returns: Limits of the bounding box.
@@ -870,7 +875,7 @@ 
Source code for spatialpy.core.domain
         return xlim, ylim, zlim

 
 
[docs]    def get_domain_size(self, update=False):
-        """
+        """
         Estimate of domain size at each vertex as the average of the
         diameters of the circumradius of the tetrahedrons that vertex
         is a part of.
@@ -910,7 +915,7 @@ 
Source code for spatialpy.core.domain
         return self.domain_size

 
 
[docs]    def get_num_voxels(self):
-        """
+        """
         Get number of voxels in domain.
 
         :returns: Number of voxels in the domain.
@@ -919,7 +924,7 @@ 
Source code for spatialpy.core.domain
         return self.vertices.shape[0]

 
 
[docs]    def get_type_def(self, type_id):
-        """
+        """
         Get the C++ type definition for the given type.
 
         :param type_id: The type_id within the domain.
@@ -930,15 +935,15 @@ 
Source code for spatialpy.core.domain
 
         :raises DomainError: If the type is not defined within the domain.
         """
-        type_id = f"type_{type_id}"
+        type_id = f"type_{type_id}"
         if type_id not in self.typeNdxMapping:
-            errmsg = f"Type_id {type_id} could not be found. "
+            errmsg = f"Type_id {type_id} could not be found. "
             errmsg += "Use Domain.set_properties to set the type_id for particles."
             raise DomainError(errmsg)
         return type_id

 
 
[docs]    def get_vol(self):
-        """
+        """
         Get the total volume of the domain.
 
         :returns: Total volume of the system.
@@ -950,7 +955,7 @@ 
Source code for spatialpy.core.domain
 
 
[docs]    @classmethod
     def import_meshio_object(cls, mesh_obj, subdomain_file=None, type_ids=None, enable=True, apply_action=True):
-        """
+        """
         Import a python meshio mesh object.
 
         :param mesh_obj: MeshIO object to import
@@ -985,7 +990,7 @@ 
Source code for spatialpy.core.domain
 
 
[docs]    def plot_types(self, width=None, height=None, colormap=None, size=None, title=None,
                    included_types_list=None, use_matplotlib=False, return_plotly_figure=False):
-        '''
+        '''
         Plots the domain using plotly. Can only be viewed in a Jupyter Notebook.
 
         :param width: Width in pixels of output plot box or for matplotlib inches of output plot box. \
@@ -1023,7 +1028,7 @@ 
Source code for spatialpy.core.domain
         if len(self.vertices) == 0:
             raise DomainError("The domain does not contain particles.")
 
-        from spatialpy.core.result import _plotly_iterate # pylint: disable=import-outside-toplevel
+        from spatialpy.core.result import _plotly_iterate # pylint: disable=import-outside-toplevel
 
         if not use_matplotlib:
             if width in (None, "auto"):
@@ -1130,7 +1135,7 @@ 
Source code for spatialpy.core.domain
         return

 
 
[docs]    def preview_actions(self, start=0, end=None, **kwargs):
-        r"""
+        r"""
         Preview effects of actions to the domain.
 
         :param start: Starting index for actions (inclusive).
@@ -1148,7 +1153,7 @@ 
Source code for spatialpy.core.domain
 
 
[docs]    @classmethod
     def read_msh_file(cls, filename, subdomain_file=None, type_ids=None, enable=True, apply_action=True):
-        """
+        """
         Read a Gmsh style .msh file
 
         :param filename: Filename of gmsh file
@@ -1183,7 +1188,7 @@ 
Source code for spatialpy.core.domain
 
 
[docs]    @classmethod
     def read_stochss_domain(cls, filename, enable=True, apply_action=True):
-        """
+        """
         Read a StochSS Domain (.domn) file or pull a StochSS Domain from a StochSS Spatial Model (.smdl) file.
 
         :param filename: Name of file to read.
@@ -1205,7 +1210,7 @@ 
Source code for spatialpy.core.domain
         return obj

 
 
[docs]    def read_stochss_subdomain_file(self, filename, type_ids=None):
-        """
+        """
         Read a .txt file that conains the StochSS v1.x spatial subdomain descriptions.
 
         :param filename: StochSS v1.x subdomain description filename.
@@ -1221,19 +1226,19 @@ 
Source code for spatialpy.core.domain
                 try:
                     (ndx, type_id) = line.rstrip().split(',')
 
-                    type_id = f"type_{type_id if type_ids is None else type_ids[type_id]}"
+                    type_id = f"type_{type_id if type_ids is None else type_ids[type_id]}"
                     for char in type_id:
                         if (char in string.punctuation and char != "_") or char == " ":
-                            raise DomainError(f"Type_id cannot contain '{char}'")
+                            raise DomainError(f"Type_id cannot contain '{char}'")
 
                     self.type_id[int(ndx)] = type_id
 
                 except ValueError as err:
-                    raise DomainError(f"Could not read in subdomain file, error on line {lnum}: {line}") from err

+                    raise DomainError(f"Could not read in subdomain file, error on line {lnum}: {line}") from err

 
 
[docs]    @classmethod
     def read_xml_mesh(cls, filename, subdomain_file=None, type_ids=None, enable=True, apply_action=True):
-        """
+        """
         Read a FEniCS/dolfin style XML mesh file
 
         :param filename: Name of file to read.
@@ -1268,7 +1273,7 @@ 
Source code for spatialpy.core.domain
 
 
[docs]    def set_properties(self, geometry_ivar, type_id, vol=None, mass=None, nu=None,
                        rho=None, c=None, fixed=False, enable=True, apply_action=True):
-        """
+        """
         Add a type definition to the domain. By default, all regions are set to type 0.
 
         :param geometry_ivar: an instance of a :py:class:`spatialpy.core.geometry.Geometry` subclass. \
@@ -1310,7 +1315,7 @@ 
Source code for spatialpy.core.domain
         self.add_set_action(geometry=geometry_ivar, enable=enable, apply_action=apply_action, **props)

 
 
[docs]    def validate_action(self, action, coverage):
-        """
+        """
         Validate a domain action.
 
         :param action: Domain action to be validated.
@@ -1330,12 +1335,12 @@ 
Source code for spatialpy.core.domain
             if not (isinstance(action['geometry'], (Geometry, CombinatoryGeometry, Transformation)) or \
                                             g_type in ("Geometry", "CombinatoryGeometry", "Transformation")):
                 raise DomainError(
-                    f"A {action['type']} action's geometry must be of type 'Geometry' or 'Transformation' not {g_type}"
+                    f"A {action['type']} action's geometry must be of type 'Geometry' or 'Transformation' not {g_type}"
                 )
 
         if coverage == "fill":
             if action['type'] != "fill":
-                raise DomainError(f"The action's type must be 'fill' not '{action['type']}'.")
+                raise DomainError(f"The action's type must be 'fill' not '{action['type']}'.")
 
             if action['lattice'] is None:
                 raise DomainError("Fill actions must have a lattice.")
@@ -1343,23 +1348,23 @@ 
Source code for spatialpy.core.domain
             if not (isinstance(action['lattice'], (Lattice, Transformation)) or \
                                                     l_type in ("Lattice", "Transformation")):
                 raise DomainError(
-                    f"A fill action's lattice must be of type 'Lattice' or 'Transformation' not {l_type}"
+                    f"A fill action's lattice must be of type 'Lattice' or 'Transformation' not {l_type}"
                 )
 
         if coverage == "set":
             if action['type'] != "set":
-                raise DomainError(f"The action's type must be 'set' not '{action['type']}'.")
+                raise DomainError(f"The action's type must be 'set' not '{action['type']}'.")
 
             if action['props'] is None or action['props'] == {}:
                 raise DomainError("Set actions must have a props.")
 
         if coverage == "remove":
             if action['type'] != "remove":
-                raise DomainError(f"The action's type must be 'remove' not '{action['type']}'.")
+                raise DomainError(f"The action's type must be 'remove' not '{action['type']}'.")
 
         if coverage in ("fill", "set"):
             if action['props'] is not None and not isinstance(action['props'], dict):
-                raise DomainError(f"An action's kwargs must be of type dict not {type(action['props'])}")

+                raise DomainError(f"An action's kwargs must be of type dict not {type(action['props'])}")

 

 
           

@@ -1379,7 +1384,7 @@ 
Source code for spatialpy.core.domain
       ©Copyright (C) 2019-2022.
       
       |
-      Powered by Sphinx 4.4.0
+      Powered by Sphinx 5.3.0
       & Alabaster 0.7.12
       
     

diff --git a/docs/build/html/_modules/spatialpy/core/geometry.html b/docs/build/html/_modules/spatialpy/core/geometry.html
index 41c07792..99281eed 100644
--- a/docs/build/html/_modules/spatialpy/core/geometry.html
+++ b/docs/build/html/_modules/spatialpy/core/geometry.html
@@ -5,14 +5,16 @@
   
     
     
-    spatialpy.core.geometry — SpatialPy 1.1.0 documentation
+    spatialpy.core.geometry — SpatialPy 1.1.3 documentation
     
     
     
     
     
     
+    
     
+    
     
     
    
@@ -73,7 +75,7 @@ 
Quick search

     
     

 

-
+
 
 
 
@@ -108,10 +110,10 @@ 
Source code for spatialpy.core.geometry
 # along with this program.  If not, see <http://www.gnu.org/licenses/>.
 import numpy
 
-from spatialpy.core.spatialpyerror import GeometryError
+from spatialpy.core.spatialpyerror import GeometryError
 
 
[docs]class CombinatoryGeometry:
-    """
+    """
     Combinatory Geometry class uses one or more Geometry class for inclusion or exclusion of
     multiple geometric shapes.
 
@@ -123,14 +125,14 @@ 
Source code for spatialpy.core.geometry
         'geo2', and 'geo3' are found in the formula.
     :type geo_namespace: dict
     """
-    def __init__(self, formula, geo_namespace):
+    def __init__(self, formula, geo_namespace):
         self.formula = formula
         self.geo_namespace = geo_namespace
 
         self.validate()
 
 
[docs]    def inside(self, point, on_boundary):
-        """
+        """
         :param point: X, Y, Z coodinates for the particle.
         :type point: float[3]
 
@@ -146,13 +148,13 @@ 
Source code for spatialpy.core.geometry
         for name, geometry in self.geo_namespace.items():
             val = geometry.inside(point, on_boundary)
             if not isinstance(val, (bool, numpy.bool_)):
-                errmsg = f"{name} is not a valid Geometry obj. Reason given: inside() method must return a bool"
+                errmsg = f"{name} is not a valid Geometry obj. Reason given: inside() method must return a bool"
                 raise GeometryError(errmsg)
             namespace[name] = val
         return eval(self.formula, {}, namespace)

 
 
[docs]    def validate(self):
-        """
+        """
         Validate the combinatory geometry object.
         """
         keys = list(self.geo_namespace.keys())
@@ -164,18 +166,18 @@ 
Source code for spatialpy.core.geometry
         for item in keys:
             formula = formula.replace(item, "")
         if formula.strip() != "":
-            errmsg = f"formula may only contain boolean operators or geometries in geo_namespace not {formula.split(' ')}"
+            errmsg = f"formula may only contain boolean operators or geometries in geo_namespace not {formula.split(' ')}"
             raise GeometryError(errmsg)

 
 
[docs]class Geometry:
-    """
+    """
     Geometry class provides a method for tagging parts of the spatial domain as separate parts.
     """
-    def __init__(self):
+    def __init__(self):
         pass
 
 
[docs]    def inside(self, point, on_boundary):
-        """
+        """
         :param point: X, Y, Z coodinates for the particle.
         :type point: float[3]
 
@@ -188,11 +190,11 @@ 
Source code for spatialpy.core.geometry
         raise GeometryError("Subclasses of spatialpy.Geometry must implement the inside() method")

 
 
[docs]class GeometryAll(Geometry):
-    """
+    """
     Mark all particles.
     """
 
[docs]    def inside(self, point, on_boundary):
-        """
+        """
         :param point: X, Y, Z coodinates for the particle.
         :type point: float[3]
 
@@ -205,12 +207,12 @@ 
Source code for spatialpy.core.geometry
         return True

 
 
[docs]class GeometryExterior(Geometry):
-    """
+    """
     Mark particles that are on the edge of the domain.
     only works for domains that define triangles and tetrahedrons.
     """
 
[docs]    def inside(self, point, on_boundary):
-        """
+        """
         :param point: X, Y, Z coodinates for the particle.
         :type point: float[3]
 
@@ -223,12 +225,12 @@ 
Source code for spatialpy.core.geometry
         return on_boundary

 
 
[docs]class GeometryInterior(Geometry):
-    """
+    """
     Mark particles that are not on the edge of the domain.
     Only works for domains that define triangles and tetrahedrons.
     """
 
[docs]    def inside(self, point, on_boundary):
-        """
+        """
         :param point: X, Y, Z coodinates for the particle.
         :type point: float[3]
 
@@ -258,7 +260,7 @@ 
Source code for spatialpy.core.geometry
       ©Copyright (C) 2019-2022.
       
       |
-      Powered by Sphinx 4.4.0
+      Powered by Sphinx 5.3.0
       & Alabaster 0.7.12
       
     

diff --git a/docs/build/html/_modules/spatialpy/core/initialcondition.html b/docs/build/html/_modules/spatialpy/core/initialcondition.html
index 723037fe..24699f21 100644
--- a/docs/build/html/_modules/spatialpy/core/initialcondition.html
+++ b/docs/build/html/_modules/spatialpy/core/initialcondition.html
@@ -5,14 +5,16 @@
   
     
     
-    spatialpy.core.initialcondition — SpatialPy 1.1.0 documentation
+    spatialpy.core.initialcondition — SpatialPy 1.1.3 documentation
     
     
     
     
     
     
+    
     
+    
     
     
    
@@ -73,7 +75,7 @@ 
Quick search

     
     

 

-
+
 
 
 
@@ -108,16 +110,16 @@ 
Source code for spatialpy.core.initialcondition
<
 # along with this program.  If not, see <http://www.gnu.org/licenses/>.
 import numpy
 
-from spatialpy.core.spatialpyerror import InitialConditionError
+from spatialpy.core.spatialpyerror import InitialConditionError
 
 
[docs]class InitialCondition():
-    """
+    """
     Class used to defined initial conditions in SpatialPy.
     SubClasses must implement the 'apply(model)' method, which
     direction modifies the model.u0[species, voxel] matrix.
     """
 
[docs]    def apply(self, model):
-        """
+        """
         Set the initial condition of the species to the count.
 
         :param model: Model contianing the target species.
@@ -126,7 +128,7 @@ 
Source code for spatialpy.core.initialcondition
<
         raise InitialConditionError("spatialpy.InitialCondition subclasses must implement apply()")

 
 
[docs]class PlaceInitialCondition(InitialCondition):
-    """
+    """
     Class used to defined the place initial condition in SpatialPy.
 
     :param species: The species to set the initial condition.
@@ -138,17 +140,17 @@ 
Source code for spatialpy.core.initialcondition
<
     :param location: X, Y, Z coordinates to place the initial condition.
     :type location: float[3]
     """
-    def __init__(self, species, count, location):
+    def __init__(self, species, count, location):
         self.species = species
         self.count = count
         self.location = location
 
-    def __str__(self):
-        print_string = f"{self.species.name}: {str(self.count)}, at: {str(self.location)}"
+    def __str__(self):
+        print_string = f"{self.species.name}: {str(self.count)}, at: {str(self.location)}"
         return print_string
 
 
[docs]    def apply(self, model):
-        """
+        """
         Set the initial condition of the species to the count at the location.
 
         :param model: Model contianing the target species.
@@ -156,7 +158,7 @@ 
Source code for spatialpy.core.initialcondition
<
         """
         if isinstance(self.species, str):
             if self.species not in model.listOfSpecies:
-                raise InitialConditionError(f"Species {self.species} does not exist in the model.")
+                raise InitialConditionError(f"Species {self.species} does not exist in the model.")
             self.species = model.listOfSpecies[self.species]
         spec_name = self.species.name
         spec_ndx = None
@@ -168,7 +170,7 @@ 
Source code for spatialpy.core.initialcondition
<
         model.u0[spec_ndx, vtx] += self.count

 
 
[docs]class UniformInitialCondition(InitialCondition):
-    """
+    """
     Class used to defined the uniform initial condition in SpatialPy.
 
     :param species: The species to set the initial condition.
@@ -180,7 +182,7 @@ 
Source code for spatialpy.core.initialcondition
<
     :param types: Types of the particles to place the initial condition.
     :type types: list
     """
-    def __init__(self, species, count, types=None):
+    def __init__(self, species, count, types=None):
         self.species = species
         self.count = count
         if types is None:
@@ -188,14 +190,14 @@ 
Source code for spatialpy.core.initialcondition
<
         else:
             self.types = []
             for type_id in types:
-                self.types.append(f"type_{type_id}")
+                self.types.append(f"type_{type_id}")
 
-    def __str__(self):
-        print_string = f"{self.species.name}: {str(self.count)}, Uniformly distrbuted in: {str(self.types)}"
+    def __str__(self):
+        print_string = f"{self.species.name}: {str(self.count)}, Uniformly distrbuted in: {str(self.types)}"
         return print_string
 
 
[docs]    def apply(self, model):
-        """
+        """
         Set 'count' of 'species' in over the list of types (all types if None).
 
         :param model: Model contianing the target species.
@@ -203,7 +205,7 @@ 
Source code for spatialpy.core.initialcondition
<
         """
         if isinstance(self.species, str):
             if self.species not in model.listOfSpecies:
-                raise InitialConditionError(f"Species {self.species} does not exist in the model.")
+                raise InitialConditionError(f"Species {self.species} does not exist in the model.")
             self.species = model.listOfSpecies[self.species]
         spec_name = self.species.name
         spec_ndx = None
@@ -224,7 +226,7 @@ 
Source code for spatialpy.core.initialcondition
<
 
 
 
[docs]class ScatterInitialCondition(InitialCondition):
-    """
+    """
     Class used to defined the scatter initial condition in SpatialPy.
 
     :param species: The species to set the initial condition.
@@ -236,7 +238,7 @@ 
Source code for spatialpy.core.initialcondition
<
     :param types: Types of the particles to place the initial condition.
     :type types: list
     """
-    def __init__(self, species, count, types=None):
+    def __init__(self, species, count, types=None):
         self.species = species
         self.count = count
         if types is None:
@@ -244,14 +246,14 @@ 
Source code for spatialpy.core.initialcondition
<
         else:
             self.types = []
             for type_id in types:
-                self.types.append(f"type_{type_id}")
+                self.types.append(f"type_{type_id}")
 
-    def __str__(self):
-        print_string = f"{self.species.name}: {str(self.count)}, Scatter over: {str(self.types)}"
+    def __str__(self):
+        print_string = f"{self.species.name}: {str(self.count)}, Scatter over: {str(self.types)}"
         return print_string
 
 
[docs]    def apply(self, model):
-        """
+        """
         Scatter 'count' of 'species' randomly over the list of types (all types if None).
 
         :param model: Model contianing the target species.
@@ -259,7 +261,7 @@ 
Source code for spatialpy.core.initialcondition
<
         """
         if isinstance(self.species, str):
             if self.species not in model.listOfSpecies:
-                raise InitialConditionError(f"Species {self.species} does not exist in the model.")
+                raise InitialConditionError(f"Species {self.species} does not exist in the model.")
             self.species = model.listOfSpecies[self.species]
         spec_name = self.species.name
         spec_ndx = None
@@ -282,7 +284,7 @@ 
Source code for spatialpy.core.initialcondition
<
             nvox = len(allowed_voxels)
             if nvox==0:
                 message = "ScatterInitialCondition has zero voxels to scatter in. "
-                message += f"Species={self.species.name} count={self.count} types={self.types}"
+                message += f"Species={self.species.name} count={self.count} types={self.types}"
                 raise InitialConditionError(message)
             for _ in range(self.count):
                 v_ndx = numpy.random.randint(0, nvox)
@@ -307,7 +309,7 @@ 
Source code for spatialpy.core.initialcondition
<
       ©Copyright (C) 2019-2022.
       
       |
-      Powered by Sphinx 4.4.0
+      Powered by Sphinx 5.3.0
       & Alabaster 0.7.12
       
     

diff --git a/docs/build/html/_modules/spatialpy/core/lattice.html b/docs/build/html/_modules/spatialpy/core/lattice.html
index 45a52b56..66f7b2d3 100644
--- a/docs/build/html/_modules/spatialpy/core/lattice.html
+++ b/docs/build/html/_modules/spatialpy/core/lattice.html
@@ -5,14 +5,16 @@
   
     
     
-    spatialpy.core.lattice — SpatialPy 1.1.0 documentation
+    spatialpy.core.lattice — SpatialPy 1.1.3 documentation
     
     
     
     
     
     
+    
     
+    
     
     
    
@@ -73,7 +75,7 @@ 
Quick search

     
     

 

-
+
 
 
 
@@ -107,16 +109,17 @@ 
Source code for spatialpy.core.lattice
 # You should have received a copy of the GNU General Public License
 # along with this program.  If not, see <http://www.gnu.org/licenses/>.
 import json
-import numpy
+import string
 
 import xml.etree.ElementTree as ET
 
-from spatialpy.core.geometry import Geometry, CombinatoryGeometry
-from spatialpy.core.spatialpyerror import LatticeError
+import numpy
 
+from spatialpy.core.geometry import Geometry, CombinatoryGeometry
+from spatialpy.core.spatialpyerror import LatticeError
 
 
[docs]class Lattice:
-    """
+    """
     Lattice class provides a method for creating parts of the spatial domain.
 
     :param center: The center point of the lattice (optional, defaults to [0, 0, 0]).
@@ -125,7 +128,7 @@ 
Source code for spatialpy.core.lattice
     :raises LatticeError: if center is not and list, doesn't contain 3 values,
         or any value is not a float.
     """
-    def __init__(self, center=None, skip_validate=False):
+    def __init__(self, center=None, skip_validate=False):
         if center is None:
             center = [0] * 3
         elif isinstance(center, (list, tuple)):
@@ -147,7 +150,7 @@ 
Source code for spatialpy.core.lattice
             domain.zlim = zlim
 
 
[docs]    def apply(self, domain, geometry, transform=None, **kwargs):
-        """
+        """
         Fill a domain with particles within the lattice restricted by the geometry.
 
         :param domain: Domain particles are to be added to.
@@ -165,7 +168,7 @@ 
Source code for spatialpy.core.lattice
         raise LatticeError("Subclasses of spatialpy.Lattice must implement the apply() method")

 
 
[docs]    def validate(self):
-        """
+        """
         Validates the center point.
         """
         if not isinstance(self.center, list):
@@ -174,7 +177,7 @@ 
Source code for spatialpy.core.lattice
             raise LatticeError("center must be of length 3.")

 
 
[docs]class CartesianLattice(Lattice):
-    """
+    """
     Cartesian lattice class provides a method for creating parts of the spatial
         domain within a cartesian coordinate system.
 
@@ -195,7 +198,7 @@ 
Source code for spatialpy.core.lattice
 
     :param zmin: Minimum z value of the lattice (optional, defaults to xmin).
     :type zmin: float
-    
+
     :param zmax: Maximum z value of the lattice (optional, defaults to xmax).
     :type zmax: float
 
@@ -211,7 +214,7 @@ 
Source code for spatialpy.core.lattice
     :raises LatticeError: if center is not and list, doesn't contain 3 values,
         or any value is not a float.
     """
-    def __init__(self, xmin, xmax, deltax, center=None, ymin=None,
+    def __init__(self, xmin, xmax, deltax, center=None, ymin=None,
                  ymax=None, zmin=None, zmax=None, deltay=None, deltaz=None):
         super().__init__(center, skip_validate=True)
 
@@ -256,7 +259,7 @@ 
Source code for spatialpy.core.lattice
         return count
 
 
[docs]    def apply(self, domain, geometry, transform=None, **kwargs):
-        """
+        """
         Fill a domain with particles within the cartesian lattice restricted by the geometry.
 
         :param domain: Domain particles are to be added to.
@@ -271,7 +274,7 @@ 
Source code for spatialpy.core.lattice
 
         :param \**kwargs: Additional keyword arguments passed to :py:meth:`Domain.add_point`.
         """
-        from spatialpy.core.domain import Domain # pylint: disable=import-outside-toplevel
+        from spatialpy.core.domain import Domain # pylint: disable=import-outside-toplevel
         if not (isinstance(domain, Domain) or type(domain).__name__ == 'Domain'):
             raise LatticeError("domain must be of type spatialpy.Domain.")
         if not (isinstance(geometry, (Geometry, CombinatoryGeometry)) or \
@@ -304,7 +307,7 @@ 
Source code for spatialpy.core.lattice
         return count

 
 
[docs]    def validate(self):
-        """
+        """
         Validate the cartesian lattice dependencies.
         """
         super().validate()
@@ -341,7 +344,7 @@ 
Source code for spatialpy.core.lattice
             raise LatticeError("deltaz must be greater than 0.")

 
 
[docs]class SphericalLattice(Lattice):
-    """
+    """
     Spherical lattice class provides a method for creating parts of the spatial
         domain within a spherical coordinate system.
 
@@ -360,7 +363,7 @@ 
Source code for spatialpy.core.lattice
     :raises LatticeError: if center is not and list, doesn't contain 3 values,
         or any value is not a float.
     """
-    def __init__(self, radius, deltas, center=None, deltar=None):
+    def __init__(self, radius, deltas, center=None, deltar=None):
         super().__init__(center, skip_validate=True)
 
         self.radius = radius
@@ -374,7 +377,7 @@ 
Source code for spatialpy.core.lattice
         self.validate()
 
 
[docs]    def apply(self, domain, geometry, transform=None, **kwargs):
-        """
+        """
         Fill a domain with particles within the spherical lattice restricted by the geometry.
 
         :param domain: Domain particles are to be added to.
@@ -389,7 +392,7 @@ 
Source code for spatialpy.core.lattice
 
         :param \**kwargs: Additional keyword arguments passed to :py:meth:`Domain.add_point`.
         """
-        from spatialpy.core.domain import Domain # pylint: disable=import-outside-toplevel
+        from spatialpy.core.domain import Domain # pylint: disable=import-outside-toplevel
         if not (isinstance(domain, Domain) or type(domain).__name__ == 'Domain'):
             raise LatticeError("domain must be of type spatialpy.Domain.")
         if not (isinstance(geometry, (Geometry, CombinatoryGeometry)) or \
@@ -402,7 +405,7 @@ 
Source code for spatialpy.core.lattice
 
         count = 0
         radius = self.radius
-        while radius >= 0:
+        while radius > 0:
             # Calculate the approximate number of particle with the radius
             approx_rc = int(round((4 * radius ** 2) / ((self.deltas / 2) ** 2)))
 
@@ -412,11 +415,11 @@ 
Source code for spatialpy.core.lattice
             m_phi = int(round(numpy.pi * radius / d_a))
             d_phi = numpy.pi / m_phi
             d_theta = p_area / d_phi
-            
+
             for mphi in range(m_phi):
                 phi = numpy.pi * (mphi + 0.5) / m_phi
                 m_theta = int(round(2 * numpy.pi * numpy.sin(phi) / d_phi))
-            
+
                 for mtheta in range(m_theta):
                     theta = 2 * numpy.pi * mtheta / m_theta
                     x = radius * numpy.cos(theta) * numpy.sin(phi)
@@ -432,6 +435,12 @@ 
Source code for spatialpy.core.lattice
                         domain.add_point(point + self.center, **kwargs)
                         count += 1
             radius -= self.deltar
+        if radius == 0 and geometry.inside((0, 0, 0), False):
+            point = [0, 0, 0] if transform is None else transform([0, 0, 0])
+            if not isinstance(point, numpy.ndarray):
+                point = numpy.array(point)
+            domain.add_point(point + self.center, **kwargs)
+            count += 1
         self._update_limits(domain)
         if 'vol' not in kwargs:
             offset = len(domain.vertices) - count
@@ -443,7 +452,7 @@ 
Source code for spatialpy.core.lattice
         return count

 
 
[docs]    def validate(self):
-        """
+        """
         Validate the spherical lattice dependencies.
         """
         super().validate()
@@ -462,7 +471,7 @@ 
Source code for spatialpy.core.lattice
             raise LatticeError("deltar must be greater than 0.")

 
 
[docs]class CylindricalLattice(Lattice):
-    """
+    """
     Cylindrical lattice class provides a method for creating parts of the spatial
         domain within a cylindrical coordinate system.
 
@@ -484,7 +493,7 @@ 
Source code for spatialpy.core.lattice
     :raises LatticeError: if center is not and list, doesn't contain 3 values,
         or any value is not a float.
     """
-    def __init__(self, radius, length, deltas, center=None, deltar=None):
+    def __init__(self, radius, length, deltas, center=None, deltar=None):
         super().__init__(center, skip_validate=True)
 
         self.radius = radius
@@ -499,7 +508,7 @@ 
Source code for spatialpy.core.lattice
         self.validate()
 
 
[docs]    def apply(self, domain, geometry, transform=None, **kwargs):
-        """
+        """
         Fill a domain with particles within the cylindrical lattice restricted by the geometry.
 
         :param domain: Domain particles are to be added to.
@@ -514,7 +523,7 @@ 
Source code for spatialpy.core.lattice
 
         :param \**kwargs: Additional keyword arguments passed to :py:meth:`Domain.add_point`.
         """
-        from spatialpy.core.domain import Domain # pylint: disable=import-outside-toplevel
+        from spatialpy.core.domain import Domain # pylint: disable=import-outside-toplevel
         if not (isinstance(domain, Domain) or type(domain).__name__ == 'Domain'):
             raise LatticeError("domain must be of type spatialpy.Domain.")
         if not (isinstance(geometry, (Geometry, CombinatoryGeometry)) or \
@@ -530,7 +539,7 @@ 
Source code for spatialpy.core.lattice
         xmin = -h_len
         xmax = h_len
         radius = self.radius
-        while radius >= 0:
+        while radius > 0:
             # Calculate the approximate number of particle with the radius
             approx_rc = int(round((2 * radius * self.length) / ((self.deltas / 2) ** 2)))
 
@@ -541,7 +550,6 @@ 
Source code for spatialpy.core.lattice
 
             x = xmin
             while x <= xmax:
-
                 for mtheta in range(m_theta):
                     theta = 2 * numpy.pi * (mtheta + 0.5) / m_theta
                     y = radius * numpy.cos(theta)
@@ -557,6 +565,16 @@ 
Source code for spatialpy.core.lattice
                         count += 1
                 x += self.deltas
             radius -= self.deltar
+        if radius == 0:
+            x = xmin
+            while x <= xmax:
+                if geometry.inside((x, 0, 0), False):
+                    point = [x, 0, 0] if transform is None else transform([x, 0, 0])
+                    if not isinstance(point, numpy.ndarray):
+                        point = numpy.array(point)
+                    domain.add_point(point + self.center, **kwargs)
+                    count += 1
+                x += self.deltas
         self._update_limits(domain)
         if 'vol' not in kwargs:
             offset = len(domain.vertices) - count
@@ -568,7 +586,7 @@ 
Source code for spatialpy.core.lattice
         return count

 
 
[docs]    def validate(self):
-        """
+        """
         Validate the cylindrical lattice dependencies.
         """
         super().validate()
@@ -591,10 +609,10 @@ 
Source code for spatialpy.core.lattice
             raise LatticeError("deltar must be greater than 0.")

 
 
[docs]class XMLMeshLattice(Lattice):
-    """
+    """
     XML mesh lattice class provides a method for creating parts of the spatial
         domain with a mesh defined by a FEniCS/dolfin style XML mesh file.
-    
+
     :param center: The center point of the lattice.
     :type center: float[3] | float(3)
 
@@ -607,7 +625,7 @@ 
Source code for spatialpy.core.lattice
     :param type_ids: Mapping of type indices to type names (optional).
     :type type_ids: dict{str:str}
     """
-    def __init__(self, filename, center=None, subdomain_file=None, type_ids=None):
+    def __init__(self, filename, center=None, subdomain_file=None, type_ids=None):
         super().__init__(center, skip_validate=True)
 
         self.filename = filename
@@ -625,14 +643,14 @@ 
Source code for spatialpy.core.lattice
 
                     if self.type_ids is not None:
                         type_id = self.type_ids[type_id]
-                    type_ids[int(ndx)] = f"type_{type_id}"
+                    type_ids[int(ndx)] = f"type_{type_id}"
                 except ValueError as err:
-                    errmsg = f"Could not read in subdomain file, error on line {lnum}: {line}"
+                    errmsg = f"Could not read in subdomain file, error on line {lnum}: {line}"
                     raise LatticeError(errmsg) from err
         return type_ids
 
 
[docs]    def apply(self, domain, *args, transform=None, **kwargs):
-        """
+        """
         Fill a domain with particles within the xml mesh lattice un-restricted by a geometry.
 
         :param domain: Domain particles are to be added to.
@@ -643,7 +661,7 @@ 
Source code for spatialpy.core.lattice
 
         :param \**kwargs: Additional keyword arguments passed to :py:meth:`Domain.add_point`.
         """
-        from spatialpy.core.domain import Domain # pylint: disable=import-outside-toplevel
+        from spatialpy.core.domain import Domain # pylint: disable=import-outside-toplevel
         if not (isinstance(domain, Domain) or type(domain).__name__ == 'Domain'):
             raise LatticeError("domain must be of type spatialpy.Domain.")
         if transform is not None and not callable(transform):
@@ -656,7 +674,7 @@ 
Source code for spatialpy.core.lattice
 
         root = ET.parse(self.filename).getroot()
         if not root.tag == 'dolfin':
-            raise LatticeError(f"{self.filename} is not a FEniCS/dolfin xml mesh.")
+            raise LatticeError(f"{self.filename} is not a FEniCS/dolfin xml mesh.")
 
         mesh = root[0]
         if mesh.tag != 'mesh' or mesh.attrib['celltype'] != 'tetrahedron' or mesh.attrib['dim'] != '3':
@@ -680,7 +698,7 @@ 
Source code for spatialpy.core.lattice
                 point = [x, y, z]
             else:
                 point = transform([x, y, z])
-            if type_ids is not None and i in type_ids.keys():
+            if type_ids is not None and i in type_ids:
                 kwargs['type_id'] = type_ids[i]
             if not isinstance(point, numpy.ndarray):
                 point = numpy.array(point)
@@ -707,7 +725,7 @@ 
Source code for spatialpy.core.lattice
         return count

 
 
[docs]    def validate(self):
-        """
+        """
         Validate the XML mesh lattice dependencies.
         """
         super().validate()
@@ -724,13 +742,13 @@ 
Source code for spatialpy.core.lattice
                     raise LatticeError("Values in type_ids must be of type str.")
                 for char in name:
                     if (char in string.punctuation and char != "_") or char == " ":
-                        raise LatticeError(f"Values in type_ids cannot contain '{char}'")

+                        raise LatticeError(f"Values in type_ids cannot contain '{char}'")

 
 
[docs]class MeshIOLattice(Lattice):
-    """
+    """
     meshio lattice class provides a method for creating parts of the spatial
         domain with a mesh defined by a Gmsh style .msh mesh file.
-    
+
     :param center: The center point of the lattice.
     :type center: float[3] | float(3)
 
@@ -743,7 +761,7 @@ 
Source code for spatialpy.core.lattice
     :param type_ids: Mapping of type indices to type names (optional).
     :type type_ids: dict{str:str}
     """
-    def __init__(self, filename=None, center=None, mesh=None, subdomain_file=None, type_ids=None):
+    def __init__(self, filename=None, center=None, mesh=None, subdomain_file=None, type_ids=None):
         super().__init__(center, skip_validate=True)
 
         self.filename = filename
@@ -762,14 +780,14 @@ 
Source code for spatialpy.core.lattice
 
                     if self.type_ids is not None:
                         type_id = self.type_ids[type_id]
-                    type_ids[int(ndx)] = f"type_{type_id}"
+                    type_ids[int(ndx)] = f"type_{type_id}"
                 except ValueError as err:
-                    errmsg = f"Could not read in subdomain file, error on line {lnum}: {line}"
+                    errmsg = f"Could not read in subdomain file, error on line {lnum}: {line}"
                     raise LatticeError(errmsg) from err
         return type_ids
 
 
[docs]    def apply(self, domain, *args, transform=None, **kwargs):
-        """
+        """
         Fill a domain with particles within the mesh IO lattice un-restricted by a geometry.
 
         :param domain: Domain particles are to be added to.
@@ -780,7 +798,7 @@ 
Source code for spatialpy.core.lattice
 
         :param \**kwargs: Additional keyword arguments passed to :py:meth:`Domain.add_point`.
         """
-        from spatialpy.core.domain import Domain # pylint: disable=import-outside-toplevel
+        from spatialpy.core.domain import Domain # pylint: disable=import-outside-toplevel
         if not (isinstance(domain, Domain) or type(domain).__name__ == 'Domain'):
             raise LatticeError("domain must be of type spatialpy.Domain.")
         if transform is not None and not callable(transform):
@@ -795,7 +813,7 @@ 
Source code for spatialpy.core.lattice
             mesh = meshio.read(self.filename)
         else:
             mesh = self.mesh
-        
+
         if self.subdomain_file is not None:
             type_ids = self.__get_types()
         else:
@@ -812,7 +830,7 @@ 
Source code for spatialpy.core.lattice
                 point = [x, y, z]
             else:
                 point = transform([x, y, z])
-            if type_ids is not None and i in type_ids.keys():
+            if type_ids is not None and i in type_ids:
                 kwargs['type_id'] = type_ids[i]
             if not isinstance(point, numpy.ndarray):
                 point = numpy.array(point)
@@ -828,7 +846,7 @@ 
Source code for spatialpy.core.lattice
                 for triangle in triangles[0].data:
                     triangle = triangle + num_points
                     domain.triangles = numpy.append(domain.triangles, [triangle], axis=0)
-        
+
         #tetrahedrons
         tetras = list(filter(lambda cell: cell.type == "tetra", mesh.cells))
         if tetras:
@@ -842,7 +860,7 @@ 
Source code for spatialpy.core.lattice
         return count

 
 
[docs]    def validate(self):
-        """
+        """
         Validate the meshio lattice dependencies.
         """
         super().validate()
@@ -861,20 +879,20 @@ 
Source code for spatialpy.core.lattice
                     raise LatticeError("Values in type_ids must be of type str.")
                 for char in name:
                     if (char in string.punctuation and char != "_") or char == " ":
-                        raise LatticeError(f"Values in type_ids cannot contain '{char}'")

+                        raise LatticeError(f"Values in type_ids cannot contain '{char}'")

 
 
[docs]class StochSSLattice(Lattice):
-    """
+    """
     stochss lattice class provides a method for creating parts of the spatial domain
         with a domain defined by a stochss style .domn domain file or .smdl model file.
-    
+
     :param center: The center point of the lattice.
     :type center: float[3] | float(3)
 
     :param filename: Name of file to read.
     :type filename: str
     """
-    def __init__(self, filename, center=None):
+    def __init__(self, filename, center=None):
         super().__init__(center, skip_validate=True)
 
         self.filename = filename
@@ -882,7 +900,7 @@ 
Source code for spatialpy.core.lattice
         self.validate()
 
 
[docs]    def apply(self, domain, *args, transform=None, **kwargs):
-        """
+        """
         Fill a domain with particles within the stochss lattice un-restricted by a geometry.
 
         :param domain: Domain particles are to be added to.
@@ -891,7 +909,7 @@ 
Source code for spatialpy.core.lattice
         :param transform: Transformation function applied to each particle.
         :type transform: function
         """
-        from spatialpy.core.domain import Domain # pylint: disable=import-outside-toplevel
+        from spatialpy.core.domain import Domain # pylint: disable=import-outside-toplevel
         if not (isinstance(domain, Domain) or type(domain).__name__ == 'Domain'):
             raise LatticeError("domain must be of type spatialpy.Domain.")
         if transform is not None and not callable(transform):
@@ -907,7 +925,7 @@ 
Source code for spatialpy.core.lattice
             domain.c0 = s_domain['c_0']
             domain.P0 = s_domain['p_0']
             domain.gravity = s_domain['gravity']
-            
+
             type_ids = {}
             for s_type in s_domain['types']:
                 type_ids[s_type['typeID']] = s_type['name'].replace('-', '')
@@ -942,7 +960,7 @@ 
Source code for spatialpy.core.lattice
             raise LatticeError("The file is not a StochSS Domain (.domn) or a StochSS Spatial Model (.smdl).") from err

 
 
[docs]    def validate(self):
-        """
+        """
         Validate the stochss lattice dependencies.
         """
         super().validate()
@@ -968,7 +986,7 @@ 
Source code for spatialpy.core.lattice
       ©Copyright (C) 2019-2022.
       
       |
-      Powered by Sphinx 4.4.0
+      Powered by Sphinx 5.3.0
       & Alabaster 0.7.12
       
     

diff --git a/docs/build/html/_modules/spatialpy/core/model.html b/docs/build/html/_modules/spatialpy/core/model.html
index 46852900..855f5162 100644
--- a/docs/build/html/_modules/spatialpy/core/model.html
+++ b/docs/build/html/_modules/spatialpy/core/model.html
@@ -5,14 +5,16 @@
   
     
     
-    spatialpy.core.model — SpatialPy 1.1.0 documentation
+    spatialpy.core.model — SpatialPy 1.1.3 documentation
     
     
     
     
     
     
+    
     
+    
     
     
    
@@ -73,7 +75,7 @@ 
Quick search

     
     

 

-
+
 
 
 
@@ -110,30 +112,30 @@ 
Source code for spatialpy.core.model
 #This module defines a model that simulates a discrete, stoachastic, mixed biochemical reaction network in python.
 
 import math
-from typing import Set, Type
-from collections import OrderedDict
+from typing import Set, Type
+from collections import OrderedDict
 
 import numpy
 import scipy
 
-from spatialpy.core.domain import Domain
-from spatialpy.core.species import Species
-from spatialpy.core.initialcondition import (
+from spatialpy.core.domain import Domain
+from spatialpy.core.species import Species
+from spatialpy.core.initialcondition import (
     InitialCondition,
     PlaceInitialCondition,
     ScatterInitialCondition,
     UniformInitialCondition
 )
-from spatialpy.core.parameter import Parameter
-from spatialpy.core.reaction import Reaction
-from spatialpy.core.boundarycondition import BoundaryCondition
-from spatialpy.core.datafunction import DataFunction
-from spatialpy.core.timespan import TimeSpan
-from spatialpy.solvers.build_expression import BuildExpression
-from spatialpy.core.spatialpyerror import ModelError
+from spatialpy.core.parameter import Parameter
+from spatialpy.core.reaction import Reaction
+from spatialpy.core.boundarycondition import BoundaryCondition
+from spatialpy.core.datafunction import DataFunction
+from spatialpy.core.timespan import TimeSpan
+from spatialpy.solvers.build_expression import BuildExpression
+from spatialpy.core.spatialpyerror import ModelError
 
 
[docs]def export_StochSS(spatialpy_model, filename=None, return_stochss_model=False):
-    """
+    """
     SpatialPy model to StochSS converter
 
     :param spatialpy_model: SpatialPy model to be converted to StochSS
@@ -149,14 +151,14 @@ 
Source code for spatialpy.core.model
     :rtype: string
     """
     try:
-        from spatialpy.stochss.stochss_export import export # pylint: disable=import-outside-toplevel
+        from spatialpy.stochss.stochss_export import export # pylint: disable=import-outside-toplevel
     except ImportError as err:
         raise ImportError('StochSS export conversion not imported successfully') from err
 
     return export(spatialpy_model, path=filename, return_stochss_model=return_stochss_model)

 
 
[docs]class Model():
-    """
+    """
     Representation of a spatial biochemical model.
 
     :param name: Name of the model
@@ -165,7 +167,7 @@ 
Source code for spatialpy.core.model
     reserved_names = ['vol', 't']
     special_characters = ['[', ']', '+', '-', '*', '/', '.', '^']
 
-    def __init__(self, name="spatialpy"):
+    def __init__(self, name="spatialpy"):
         # The name that the model is referenced by (should be a String)
         self.name = name
 
@@ -212,61 +214,61 @@ 
Source code for spatialpy.core.model
         self.expr = None
         self.u0 = None
 
-    def __str__(self):
+    def __str__(self):
         try:
             self.__update_diffusion_restrictions()
         except Exception:
             pass
         self._resolve_all_parameters()
-        divider = f"\n{'*'*10}\n"
+        divider = f"\n{'*'*10}\n"
 
         def decorate(header):
-            return f"\n{divider}{header}{divider}"
+            return f"\n{divider}{header}{divider}"
 
-        print_string = f"{self.name}"
+        print_string = f"{self.name}"
         if len(self.listOfSpecies):
             print_string += decorate("Species")
             for _, species in self.listOfSpecies.items():
-                print_string += f"\n{str(species)}"
+                print_string += f"\n{str(species)}"
         if self.listOfInitialConditions:
             print_string += decorate("Initial Conditions")
             for initial_condition in self.listOfInitialConditions:
-                print_string += f"\n{str(initial_condition)}"
+                print_string += f"\n{str(initial_condition)}"
         if len(self.listOfDiffusionRestrictions):
             print_string += decorate("Diffusion Restrictions")
             for species, types in self.listOfDiffusionRestrictions.items():
-                print_string += f"\n{species.name} is restricted to: {str(types)}"
+                print_string += f"\n{species.name} is restricted to: {str(types)}"
         if len(self.listOfParameters):
             print_string += decorate("Parameters")
             for _, parameter in self.listOfParameters.items():
-                print_string += f"\n{str(parameter)}"
+                print_string += f"\n{str(parameter)}"
         if len(self.listOfReactions):
             print_string += decorate("Reactions")
             for _, reaction in self.listOfReactions.items():
-                print_string += f"\n{str(reaction)}"
+                print_string += f"\n{str(reaction)}"
         print(print_string)
 
         if self.domain is not None:
             print(decorate("Domain"))
-            print(f"\n{str(self.domain)}")
+            print(f"\n{str(self.domain)}")
 
         return ""
 
-    def __ne__(self, other):
+    def __ne__(self, other):
         return not self.__eq__(other)
 
-    def __eq__(self, other):
+    def __eq__(self, other):
         return self.listOfParameters == other.listOfParameters and \
             self.listOfSpecies == other.listOfSpecies and \
             self.listOfReactions == other.listOfReactions and \
             self.name == other.name
 
-    def __getitem__(self, key):
+    def __getitem__(self, key):
         if isinstance(key, str):
             return self.get_element(key)
         if hasattr(self.__class__, "__missing__"):
             return self.__class__.__missing__(self, key)
-        raise KeyError(f"{key} is an invalid key.")
+        raise KeyError(f"{key} is an invalid key.")
 
     def __apply_initial_conditions(self):
         # initalize
@@ -387,21 +389,21 @@ 
Source code for spatialpy.core.model
         names = Model.reserved_names
         if name in Model.reserved_names:
             raise ModelError(
-                f'Name "{name}" is unavailable. It is reserved for internal GillesPy use. Reserved Names: ({names}).'
+                f'Name "{name}" is unavailable. It is reserved for internal GillesPy use. Reserved Names: ({names}).'
             )
         if name in self.listOfSpecies:
-            raise ModelError(f'Name "{name}" is unavailable. A species with that name exists.')
+            raise ModelError(f'Name "{name}" is unavailable. A species with that name exists.')
         if name in self.listOfParameters:
-            raise ModelError(f'Name "{name}" is unavailable. A parameter with that name exists.')
+            raise ModelError(f'Name "{name}" is unavailable. A parameter with that name exists.')
         if name in self.listOfReactions:
-            raise ModelError(f'Name "{name}" is unavailable. A reaction with that name exists.')
+            raise ModelError(f'Name "{name}" is unavailable. A reaction with that name exists.')
         if name.isdigit():
-            raise ModelError(f'Name "{name}" is unavailable. Names must not be numeric strings.')
+            raise ModelError(f'Name "{name}" is unavailable. Names must not be numeric strings.')
         for special_character in Model.special_characters:
             if special_character in name:
                 chars = Model.special_characters
                 raise ModelError(
-                    f'Name "{name}" is unavailable. Names must not contain special characters: {chars}.'
+                    f'Name "{name}" is unavailable. Names must not contain special characters: {chars}.'
                 )
 
     def _resolve_parameter(self, parameter):
@@ -411,7 +413,7 @@ 
Source code for spatialpy.core.model
             parameter._evaluate(self.namespace) # pylint: disable=protected-access
         except ModelError as err:
             raise ModelError(
-                f"Could not add/resolve parameter: {parameter.name}, Reason given: {err}"
+                f"Could not add/resolve parameter: {parameter.name}, Reason given: {err}"
             ) from err
 
     def _resolve_all_parameters(self):
@@ -446,14 +448,14 @@ 
Source code for spatialpy.core.model
                     reaction.products[stoich_spec] = stoichiometry
                     del reaction.products[species]
         except ModelError as err:
-            raise ModelError(f"Could not add/resolve reaction: {reaction.name}, Reason given: {err}") from err
+            raise ModelError(f"Could not add/resolve reaction: {reaction.name}, Reason given: {err}") from err
 
     def _resolve_all_reactions(self):
         for _, reaction in self.listOfReactions.items():
             self._resolve_reaction(reaction)
 
 
[docs]    def update_namespace(self):
-        """
+        """
         Create a dict with flattened parameter and species objects.
         """
         self.namespace = OrderedDict([])
@@ -461,7 +463,7 @@ 
Source code for spatialpy.core.model
             self.namespace[param] = self.listOfParameters[param].value

 
 
[docs]    def add(self, components):
-        """
+        """
         Adds a component, or list of components to the model. If a list is provided, Species
         and Parameters are added before other components.  Lists may contain any combination
         of accepted types other than lists and do not need to be in any particular order.
@@ -513,11 +515,11 @@ 
Source code for spatialpy.core.model
         elif isinstance(components, TimeSpan) or type(components).__name__ == TimeSpan.__name__:
             self.timespan(components)
         else:
-            raise ModelError(f"Unsupported component: {type(components)} is not a valid component.")
+            raise ModelError(f"Unsupported component: {type(components)} is not a valid component.")
         return components

 
 
[docs]    def get_element(self, name):
-        """
+        """
         Get a model element specified by name.
 
         :param name: Name of the element to be returned.
@@ -538,10 +540,10 @@ 
Source code for spatialpy.core.model
             return self.get_reaction(name)
         if name in self.listOfDataFunctions:
             return self.get_data_function(name)
-        raise ModelError(f"{self.name} does not contain an element named {name}.")

+        raise ModelError(f"{self.name} does not contain an element named {name}.")

 
 
[docs]    def add_domain(self, domain):
-        """
+        """
         Add a spatial domain to the model
 
         :param domain: The Domain object to be added to the model
@@ -559,7 +561,7 @@ 
Source code for spatialpy.core.model
         return domain

 
 
[docs]    def add_species(self, species):
-        """
+        """
         Adds a species, or list of species to the model.
 
         :param species: The species or list of species to be added to the model object.
@@ -579,17 +581,17 @@ 
Source code for spatialpy.core.model
                 self._problem_with_name(species.name)
                 self.species_map[species] = self.get_num_species()
                 self.listOfSpecies[species.name] = species
-                self._listOfSpecies[species.name] = f'S{len(self._listOfSpecies)}'
+                self._listOfSpecies[species.name] = f'S{len(self._listOfSpecies)}'
             except ModelError as err:
-                errmsg = f"Could not add species: {species.name}, Reason given: {err}"
+                errmsg = f"Could not add species: {species.name}, Reason given: {err}"
                 raise ModelError(errmsg) from err
         else:
-            errmsg = f"species must be of type Species or list of Species not {type(species)}"
+            errmsg = f"species must be of type Species or list of Species not {type(species)}"
             raise ModelError(errmsg)
         return species

 
 
[docs]    def delete_species(self, name):
-        """
+        """
         Removes a species object by name.
 
         :param name: Name of the species object to be removed
@@ -603,18 +605,18 @@ 
Source code for spatialpy.core.model
                 self._listOfSpecies.pop(name)
         except KeyError as err:
             raise ModelError(
-                f"{self.name} does not contain a species named {name}."
+                f"{self.name} does not contain a species named {name}."
             ) from err

 
 
[docs]    def delete_all_species(self):
-        """
+        """
         Removes all species from the model object.
         """
         self.listOfSpecies.clear()
         self._listOfSpecies.clear()

 
 
[docs]    def get_species(self, name):
-        """
+        """
         Returns a species object by name.
 
         :param name: Name of the species object to be returned.
@@ -626,11 +628,11 @@ 
Source code for spatialpy.core.model
         :raises ModelError: If the species is not part of the model.
         """
         if name not in self.listOfSpecies:
-            raise ModelError(f"Species {name} could not be found in the model.")
+            raise ModelError(f"Species {name} could not be found in the model.")
         return self.listOfSpecies[name]

 
 
[docs]    def get_all_species(self):
-        """
+        """
         Returns a dictionary of all species in the model using names as keys.
 
         :returns: A dict of all species in the model, in the form: {name : species object}.
@@ -639,7 +641,7 @@ 
Source code for spatialpy.core.model
         return self.listOfSpecies

 
 
[docs]    def get_num_species(self):
-        """
+        """
         Returns total number of different species contained in the model.
 
         :returns: Number of different species in the model.
@@ -648,7 +650,7 @@ 
Source code for spatialpy.core.model
         return len(self.listOfSpecies)

 
 
[docs]    def sanitized_species_names(self):
-        """
+        """
         Generate a dictionary mapping user chosen species names to simplified formats which will be used
         later on by SpatialPySolvers evaluating reaction propensity functions.
 
@@ -657,11 +659,11 @@ 
Source code for spatialpy.core.model
         """
         species_name_mapping = OrderedDict([])
         for i, name in enumerate(self.listOfSpecies.keys()):
-            species_name_mapping[name] = f'x[{i}]'
+            species_name_mapping[name] = f'x[{i}]'
         return species_name_mapping

 
 
[docs]    def add_initial_condition(self, init_cond):
-        """
+        """
         Add an initial condition object to the initialization of the model.
 
         :param init_cond: Initial condition to be added.
@@ -684,12 +686,12 @@ 
Source code for spatialpy.core.model
         elif isinstance(init_cond, InitialCondition) or type(init_cond).__name__ in names:
             self.listOfInitialConditions.append(init_cond)
         else:
-            errmsg = f"init_cond must be of type InitialCondition or list of InitialCondition not {type(init_cond)}"
+            errmsg = f"init_cond must be of type InitialCondition or list of InitialCondition not {type(init_cond)}"
             raise ModelError(errmsg)
         return init_cond

 
 
[docs]    def delete_initial_condition(self, init_cond):
-        """
+        """
         Removes an initial condition object from the model object.
 
         :param init_cond: initial condition object to be removed.
@@ -702,17 +704,17 @@ 
Source code for spatialpy.core.model
             self.listOfInitialConditions.pop(index)
         except ValueError as err:
             raise ModelError(
-                f"{self.name} does not contain this initial condition."
+                f"{self.name} does not contain this initial condition."
             ) from err

 
 
[docs]    def delete_all_initial_conditions(self):
-        """
+        """
         Removes all initial conditions from the model object.
         """
         self.listOfInitialConditions.clear()

 
 
[docs]    def get_all_initial_conditions(self):
-        """
+        """
         Returns a list of all initial conditions in the model.
 
         :returns: A list of all initial conditions in the model.
@@ -721,7 +723,7 @@ 
Source code for spatialpy.core.model
         return self.listOfInitialConditions

 
 
[docs]    def add_parameter(self, parameters):
-        """
+        """
         Adds a parameter, or list of parameters to the model.
 
         :param parameters:  The parameter or list of parameters to be added to the model object.
@@ -739,14 +741,14 @@ 
Source code for spatialpy.core.model
             self._problem_with_name(parameters.name)
             self._resolve_parameter(parameters)
             self.listOfParameters[parameters.name] = parameters
-            self._listOfParameters[parameters.name] = f'P{len(self._listOfParameters)}'
+            self._listOfParameters[parameters.name] = f'P{len(self._listOfParameters)}'
         else:
-            errmsg = f"parameters must be of type Parameter or list of Parameter not {type(parameters)}"
+            errmsg = f"parameters must be of type Parameter or list of Parameter not {type(parameters)}"
             raise ModelError(errmsg)
         return parameters

 
 
[docs]    def delete_parameter(self, name):
-        """
+        """
         Removes a parameter object by name.
 
         :param name: Name of the parameter object to be removed.
@@ -758,18 +760,18 @@ 
Source code for spatialpy.core.model
                 self._listOfParameters.pop(name)
         except KeyError as err:
             raise ModelError(
-                f"{self.name} does not contain a parameter named {name}"
+                f"{self.name} does not contain a parameter named {name}"
             ) from err

 
 
[docs]    def delete_all_parameters(self):
-        """
+        """
         Removes all parameters from model object.
         """
         self.listOfParameters.clear()
         self._listOfParameters.clear()

 
 
[docs]    def get_parameter(self, name):
-        """
+        """
         Returns a parameter object by name.
 
         :param name: Name of the parameter object to be returned
@@ -781,11 +783,11 @@ 
Source code for spatialpy.core.model
         :raises ModelError: If the parameter is not part of the model.
         """
         if name not in self.listOfParameters:
-            raise ModelError(f"Parameter {name} could not be found in the model.")
+            raise ModelError(f"Parameter {name} could not be found in the model.")
         return self.listOfParameters[name]

 
 
[docs]    def get_all_parameters(self):
-        """
+        """
         Return a dictionary of all model parameters, indexed by name.
 
         :returns: A dict of all parameters in the model, in the form: {name : parameter object}
@@ -794,7 +796,7 @@ 
Source code for spatialpy.core.model
         return self.listOfParameters

 
 
[docs]    def sanitized_parameter_names(self):
-        """
+        """
         Generate a dictionary mapping user chosen parameter names to simplified formats which will be used
         later on by SpatialPySolvers evaluating reaction propensity functions.
 
@@ -804,11 +806,11 @@ 
Source code for spatialpy.core.model
         parameter_name_mapping = OrderedDict()
         for i, name in enumerate(self.listOfParameters.keys()):
             if name not in parameter_name_mapping:
-                parameter_name_mapping[name] = f'P{i}'
+                parameter_name_mapping[name] = f'P{i}'
         return parameter_name_mapping

 
 
[docs]    def add_reaction(self, reactions):
-        """
+        """
         Adds a reaction, or list of reactions to the model.
 
         :param reactions: The reaction or list of reactions to be added to the model object
@@ -832,12 +834,12 @@ 
Source code for spatialpy.core.model
             )
             self._listOfReactions[reactions.name] = sanitized_reaction
         else:
-            errmsg = f"reactions must be of type Reaction or list of Reaction not {type(reactions)}"
+            errmsg = f"reactions must be of type Reaction or list of Reaction not {type(reactions)}"
             raise ModelError(errmsg)
         return reactions

 
 
[docs]    def delete_reaction(self, name):
-        """
+        """
         Removes a reaction object by name.
 
         :param name: Name of the reaction object to be removed.
@@ -849,18 +851,18 @@ 
Source code for spatialpy.core.model
                 self._listOfReactions.pop(name)
         except KeyError as err:
             raise ModelError(
-                f"{self.name} does not contain a reaction named {name}"
+                f"{self.name} does not contain a reaction named {name}"
             ) from err

 
 
[docs]    def delete_all_reactions(self):
-        """
+        """
         Removes all reactions from the model object.
         """
         self.listOfReactions.clear()
         self._listOfReactions.clear()

 
 
[docs]    def get_reaction(self, rname):
-        """
+        """
         Returns a reaction object by name.
 
         :param name: Name of the reaction object to be returned
@@ -872,11 +874,11 @@ 
Source code for spatialpy.core.model
         :raises ModelError: If the reaction is not part of the model.
         """
         if name not in self.listOfReactions:
-            raise ModelError(f"Reaction {name} could not be found in the model.")
+            raise ModelError(f"Reaction {name} could not be found in the model.")
         return self.listOfReactions[name]

 
 
[docs]    def get_all_reactions(self):
-        """
+        """
         Returns a dictionary of all model reactions using names as keys.
 
         :returns: A dict of all reaction in the model, in the form: {name : reaction object}.
@@ -885,7 +887,7 @@ 
Source code for spatialpy.core.model
         return self.listOfReactions

 
 
[docs]    def get_num_reactions(self):
-        """
+        """
         Returns the number of reactions in this model.
 
         :returns: The total number of different reactions in the model.
@@ -894,7 +896,7 @@ 
Source code for spatialpy.core.model
         return len(self.listOfReactions)

 
 
[docs]    def add_boundary_condition(self, bound_cond):
-        """
+        """
         Add an boundary condition object to the model.
 
         :param bound_cond: Boundary condition to be added
@@ -913,12 +915,12 @@ 
Source code for spatialpy.core.model
             bound_cond.model = self
             self.listOfBoundaryConditions.append(bound_cond)
         else:
-            errmsg = f"bound_cond must be of type BoundaryCondition or list of BoundaryCondition not {type(bound_cond)}"
+            errmsg = f"bound_cond must be of type BoundaryCondition or list of BoundaryCondition not {type(bound_cond)}"
             raise ModelError(errmsg)
         return bound_cond

 
 
[docs]    def delete_boundary_condition(self, bound_cond):
-        """
+        """
         Removes an boundary condition object from the model object.
 
         :param bound_cond: boundary condition object to be removed.
@@ -931,17 +933,17 @@ 
Source code for spatialpy.core.model
             self.listOfBoundaryConditions.pop(index)
         except ValueError as err:
             raise ModelError(
-                f"{self.name} does not contain this boundary condition."
+                f"{self.name} does not contain this boundary condition."
             ) from err

 
 
[docs]    def delete_all_boundary_conditions(self):
-        """
+        """
         Removes all boundary conditions from the model object.
         """
         self.listOfBoundaryConditions.clear()

 
 
[docs]    def get_all_boundary_conditions(self):
-        """
+        """
         Returns a list of all boundary conditions in the model.
 
         :returns: A list of all boundary conditions in the model.
@@ -950,7 +952,7 @@ 
Source code for spatialpy.core.model
         return self.listOfBoundaryConditions

 
 
[docs]    def add_data_function(self, data_function):
-        """
+        """
         Add a scalar spatial function to the simulation. This is useful if you have a
         spatially varying input to your model. Argument is a instances of subclass of the
         spatialpy.DataFunction class. It must implement a function 'map(point)' which takes a
@@ -971,12 +973,12 @@ 
Source code for spatialpy.core.model
             self._problem_with_name(data_function.name)
             self.listOfDataFunctions[data_function.name] = data_function
         else:
-            errmsg = f"data_function must be of type DataFunction or list of DataFunction not {type(data_function)}"
+            errmsg = f"data_function must be of type DataFunction or list of DataFunction not {type(data_function)}"
             raise ModelError(errmsg)
         return data_function

 
 
[docs]    def delete_data_function(self, name):
-        """
+        """
         Removes an data function object from the model object.
 
         :param name: data function object to be removed.
@@ -988,17 +990,17 @@ 
Source code for spatialpy.core.model
             self.listOfDataFunctions.pop(name)
         except ValueError as err:
             raise ModelError(
-                f"{self.name} does not contain a data function named {name}."
+                f"{self.name} does not contain a data function named {name}."
             ) from err

 
 
[docs]    def delete_all_data_functions(self):
-        """
+        """
         Removes all data functions from the model object.
         """
         self.listOfDataFunctions.clear()

 
 
[docs]    def get_data_function(self, name):
-        """
+        """
         Returns a data function object by name.
 
         :param name: Name of the data function object to be returned
@@ -1010,11 +1012,11 @@ 
Source code for spatialpy.core.model
         :raises ModelError: If the data function is not part of the model.
         """
         if name not in self.listOfDataFunctions:
-            raise ModelError(f"Data function {name} could not be found in the model.")
+            raise ModelError(f"Data function {name} could not be found in the model.")
         return self.listOfDataFunctions[name]

 
 
[docs]    def get_all_data_functions(self):
-        """
+        """
         Returns a dict of all data functions in the model.
 
         :returns: A dict of all data functions in the model.
@@ -1023,7 +1025,7 @@ 
Source code for spatialpy.core.model
         return self.listOfDataFunctions

 
 
[docs]    def sanitized_data_function_names(self):
-        """
+        """
         Generate a dictionary mapping user chosen data function names to simplified formats which will be used
         later on by SpatialPySolvers evaluating reaction propensity functions.
 
@@ -1032,11 +1034,11 @@ 
Source code for spatialpy.core.model
         """
         data_fn_name_mapping = OrderedDict([])
         for i, name in enumerate(self.listOfDataFunctions.keys()):
-            data_fn_name_mapping[name] = f'data_fn[{i}]'
+            data_fn_name_mapping[name] = f'data_fn[{i}]'
         return data_fn_name_mapping

 
 
[docs]    def set_timesteps(self, output_interval, num_steps, timestep_size=None):
-        """
+        """
         Set the simlation time span parameters.
 
         :param output_interval: size of each output timestep in seconds
@@ -1054,7 +1056,7 @@ 
Source code for spatialpy.core.model
         )

 
 
[docs]    def timespan(self, time_span, timestep_size=None):
-        """
+        """
         Set the time span of simulation. The SSA-SDPD engine does not support
         non-uniform timespans.
 
@@ -1073,7 +1075,7 @@ 
Source code for spatialpy.core.model
             self.tspan = TimeSpan(time_span, timestep_size=timestep_size)

 
 
[docs]    def compile_prep(self):
-        """
+        """
         Make sure all paramters are evaluated to scalars, update the models diffusion restrictions,
         create the models expression utility, and generate the domain list of type ids in preperation
         of compiling the simulation files.
@@ -1086,7 +1088,7 @@ 
Source code for spatialpy.core.model
         try:
             self.tspan.validate(coverage="all")
         except ModelError as err:
-            raise ModelError(f"Failed to validate timespan. Reason given: {err}") from err
+            raise ModelError(f"Failed to validate timespan. Reason given: {err}") from err
 
         if self.domain is None:
             raise ModelError("The model's domain is not set.  Use 'add_domain()'.")
@@ -1102,7 +1104,7 @@ 
Source code for spatialpy.core.model
             diff_coeff = species.diffusion_coefficient
             if isinstance(diff_coeff, str):
                 if diff_coeff not in sanitized_params:
-                    raise ModelError(f"Parameterm {diff_coeff} doesn't exist.")
+                    raise ModelError(f"Parameterm {diff_coeff} doesn't exist.")
                 species.diffusion_coefficient = sanitized_params[diff_coeff]
 
         self.__get_expression_utility()
@@ -1113,7 +1115,7 @@ 
Source code for spatialpy.core.model
 
 
[docs]    def run(self, number_of_trajectories=1, seed=None, timeout=None,
             number_of_threads=None, debug_level=0, debug=False, profile=False):
-        """
+        """
         Simulate the model. Returns a result object containing simulation results.
 
         :param number_of_trajectories: How many trajectories should be run.
@@ -1141,7 +1143,7 @@ 
Source code for spatialpy.core.model
         :returns: A SpatialPy Result object containing simulation data.
         :rtype: spatialpy.core.result.Result
         """
-        from spatialpy.solvers.solver import Solver # pylint: disable=import-outside-toplevel
+        from spatialpy.solvers.solver import Solver # pylint: disable=import-outside-toplevel
 
         sol = Solver(self, debug_level=debug_level)
 
@@ -1166,7 +1168,7 @@ 
Source code for spatialpy.core.model
       ©Copyright (C) 2019-2022.
       
       |
-      Powered by Sphinx 4.4.0
+      Powered by Sphinx 5.3.0
       & Alabaster 0.7.12
       
     

diff --git a/docs/build/html/_modules/spatialpy/core/parameter.html b/docs/build/html/_modules/spatialpy/core/parameter.html
index 72126344..2055186f 100644
--- a/docs/build/html/_modules/spatialpy/core/parameter.html
+++ b/docs/build/html/_modules/spatialpy/core/parameter.html
@@ -5,14 +5,16 @@
   
     
     
-    spatialpy.core.parameter — SpatialPy 1.1.0 documentation
+    spatialpy.core.parameter — SpatialPy 1.1.3 documentation
     
     
     
     
     
     
+    
     
+    
     
     
    
@@ -73,7 +75,7 @@ 
Quick search

     
     

 

-
+
 
 
 
@@ -106,10 +108,10 @@ 
Source code for spatialpy.core.parameter
 
 # You should have received a copy of the GNU General Public License
 # along with this program.  If not, see <http://www.gnu.org/licenses/>.
-from spatialpy.core.spatialpyerror import ParameterError
+from spatialpy.core.spatialpyerror import ParameterError
 
 
[docs]class Parameter():
-    """
+    """
     A parameter can be given as an expression (function) or directly
     as a value (scalar). If given an expression, it should be
     understood as evaluable in the namespace of a parent Model.
@@ -123,7 +125,7 @@ 
Source code for spatialpy.core.parameter
 
     :raises ParameterError: Arg is of invalid type.  Required arg set to None.  Arg value is outside of accepted bounds.
     """
-    def __init__(self, name=None, expression=None):
+    def __init__(self, name=None, expression=None):
         # We allow expression to be passed in as a non-string type. Invalid strings
         # will be caught below. It is perfectly fine to give a scalar value as the expression.
         # This can then be evaluated in an empty namespace to the scalar value.
@@ -136,11 +138,11 @@ 
Source code for spatialpy.core.parameter
 
         self.validate()
 
-    def __str__(self):
-        return f"{self.name}: {self.expression}"
+    def __str__(self):
+        return f"{self.name}: {self.expression}"
 
     def _evaluate(self, namespace=None):
-        """
+        """
         Evaluate the expression and return the (scalar) value in the given
         namespace.
 
@@ -162,11 +164,11 @@ 
Source code for spatialpy.core.parameter
             self.value = float(eval(self.expression, namespace))
         except Exception as err:
             raise ParameterError(
-                f"Could not evaluate expression: '{self.expression}'. Reason given: {err}."
+                f"Could not evaluate expression: '{self.expression}'. Reason given: {err}."
             ) from err
 
 
[docs]    def validate(self, expression=None, coverage="all"):
-        """
+        """
         Validate the parameter.
 
         :param expression: String for a function calculating parameter values. Should be
@@ -219,7 +221,7 @@ 
Source code for spatialpy.core.parameter
       ©Copyright (C) 2019-2022.
       
       |
-      Powered by Sphinx 4.4.0
+      Powered by Sphinx 5.3.0
       & Alabaster 0.7.12
       
     

diff --git a/docs/build/html/_modules/spatialpy/core/reaction.html b/docs/build/html/_modules/spatialpy/core/reaction.html
index 5705d7c4..b25e76b8 100644
--- a/docs/build/html/_modules/spatialpy/core/reaction.html
+++ b/docs/build/html/_modules/spatialpy/core/reaction.html
@@ -5,14 +5,16 @@
   
     
     
-    spatialpy.core.reaction — SpatialPy 1.1.0 documentation
+    spatialpy.core.reaction — SpatialPy 1.1.3 documentation
     
     
     
     
     
     
+    
     
+    
     
     
    
@@ -73,7 +75,7 @@ 
Quick search

     
     

 

-
+
 
 
 
@@ -108,16 +110,16 @@ 
Source code for spatialpy.core.reaction
 # along with this program.  If not, see <http://www.gnu.org/licenses/>.
 import ast
 import uuid
-from json.encoder import JSONEncoder
+from json.encoder import JSONEncoder
 
 import numpy as np
 
-from spatialpy.core.species import Species
-from spatialpy.core.parameter import Parameter
-from spatialpy.core.spatialpyerror import ReactionError
+from spatialpy.core.species import Species
+from spatialpy.core.parameter import Parameter
+from spatialpy.core.spatialpyerror import ReactionError
 
 
[docs]class Reaction():
-    """
+    """
     Models a biochemical reaction. A reaction conatains dictionaries of species
     (reactants and products) and a parameters. The reaction's propensity functions
     needs to be evaluable (and result in a non-negative scalar value) in the
@@ -165,11 +167,11 @@ 
Source code for spatialpy.core.reaction
     model based on the order it was added. This could impact seeded simulation 
     results if the order of addition is not preserved.
     """
-    def __init__(self, name=None, reactants=None, products=None, propensity_function=None,
+    def __init__(self, name=None, reactants=None, products=None, propensity_function=None,
                  ode_propensity_function=None, rate=None, annotation=None, restrict_to=None):
 
         if name is None or name == "":
-            name = f'rxn{uuid.uuid4()}'.replace('-', '_')
+            name = f'rxn{uuid.uuid4()}'.replace('-', '_')
         if isinstance(propensity_function, (int, float)):
             propensity_function = str(propensity_function)
         if isinstance(ode_propensity_function, (int, float)):
@@ -193,18 +195,20 @@ 
Source code for spatialpy.core.reaction
         if reactants is not None:
             for r in reactants:
                 rtype = type(r).__name__
-                if rtype == 'Species':
-                    self.reactants[r.name] = reactants[r]
+                name = r.name if rtype == 'Species' else r
+                if name in self.reactants:
+                    self.reactants[name] += reactants[r]
                 else:
-                    self.reactants[r] = reactants[r]
-
+                    self.reactants[name] = reactants[r]
+        
         if products is not None:
             for p in products:
-                rtype = type(p).__name__
-                if rtype == 'Species':
-                    self.products[p.name] = products[p]
+                ptype = type(p).__name__
+                name = p.name if ptype == 'Species' else p
+                if name in self.products:
+                    self.products[name] += products[p]
                 else:
-                    self.products[p] = products[p]
+                    self.products[name] = products[p]
 
         if self.marate is not None:
             rtype = type(self.marate).__name__
@@ -227,11 +231,11 @@ 
Source code for spatialpy.core.reaction
 
         if restrict_to is not None:
             for type_id in restrict_to:
-                self.restrict_to.append(f"type_{type_id}")
+                self.restrict_to.append(f"type_{type_id}")
 
         self.validate(coverage="initialized")
 
-    def __str__(self):
+    def __str__(self):
         print_string = self.name
         if len(self.reactants):
             print_string += '\n\tReactants'
@@ -289,7 +293,7 @@ 
Source code for spatialpy.core.reaction
             "ln": "log",
         }
 
-        def __init__(self):
+        def __init__(self):
             self.string = ''
 
         def _string_changer(self, addition):
@@ -349,7 +353,7 @@ 
Source code for spatialpy.core.reaction
             self.generic_visit(node)
 
     def _create_mass_action(self):
-        """
+        """
         Initializes the mass action propensity function given
         self.reactants and a single parameter value.
         """
@@ -362,7 +366,7 @@ 
Source code for spatialpy.core.reaction
             total_stoch += self.reactants[reactant]
         if total_stoch > 2:
             raise ReactionError(
-                """
+                """
                 Reaction: A mass-action reaction cannot involve more than two of
                 one species or one of two species. To declare a custom propensity,
                 replace 'rate' with 'propensity_function'.
@@ -386,12 +390,12 @@ 
Source code for spatialpy.core.reaction
                 reactant = reactant.name
             # Case 1: 2X -> Y
             if stoichiometry == 2:
-                propensity_function = f"0.5 * {propensity_function} * {reactant} * ({reactant} - 1) / vol"
-                ode_propensity_function += f" * {reactant} * {reactant}"
+                propensity_function = f"{propensity_function} * {reactant} * ({reactant} - 1) / vol"
+                ode_propensity_function += f" * {reactant} * {reactant}"
             else:
                 # Case 3: X1, X2 -> Y;
-                propensity_function += f" * {reactant}"
-                ode_propensity_function += f" * {reactant}"
+                propensity_function += f" * {reactant}"
+                ode_propensity_function += f" * {reactant}"
 
         # Set the volume dependency based on order.
         order = len(self.reactants)
@@ -413,14 +417,14 @@ 
Source code for spatialpy.core.reaction
         return newFunc.string
 
     def _create_sanitized_reaction(self, n_ndx, species_mappings, parameter_mappings):
-        name = f"R{n_ndx}"
+        name = f"R{n_ndx}"
         reactants = {species_mappings[species.name]: self.reactants[species] for species in self.reactants}
         products = {species_mappings[species.name]: self.products[species] for species in self.products}
         propensity_function = self.sanitized_propensity_function(species_mappings, parameter_mappings)
         return Reaction(name=name, reactants=reactants, products=products, propensity_function=propensity_function)
 
 
[docs]    def add_product(self, species, stoichiometry):
-        """
+        """
         Add a product to this reaction
 
         :param species: Species object to be produced by the reaction
@@ -434,12 +438,15 @@ 
Source code for spatialpy.core.reaction
         try:
             self.validate(products={name: stoichiometry}, coverage="products")
         except TypeError as err:
-            raise ReactionError(f"Failed to validate product. Reason given: {err}") from err
+            raise ReactionError(f"Failed to validate product. Reason given: {err}") from err
 
-        self.products[name] = stoichiometry

+        if name in self.products:
+            self.products[name] += stoichiometry
+        else:
+            self.products[name] = stoichiometry

 
 
[docs]    def add_reactant(self, species, stoichiometry):
-        """
+        """
         Add a reactant to this reaction
 
         :param species: reactant Species object
@@ -453,9 +460,12 @@ 
Source code for spatialpy.core.reaction
         try:
             self.validate(reactants={name: stoichiometry}, coverage="reactants")
         except TypeError as err:
-            raise ReactionError(f"Failed to validate reactant. Reason given: {err}") from err
+            raise ReactionError(f"Failed to validate reactant. Reason given: {err}") from err
 
-        self.reactants[name] = stoichiometry
+        if name in self.reactants:
+            self.reactants[name] += stoichiometry
+        else:
+            self.reactants[name] = stoichiometry
         if self.massaction and self.type == "mass-action":
             self._create_mass_action()
 
@@ -488,7 +498,7 @@ 
Source code for spatialpy.core.reaction
         return sanitized_propensity.format(*replacements)

 
 
[docs]    def set_annotation(self, annotation):
-        """
+        """
         Add an annotation to this reaction.
         :param annotation: Annotation note to be added to reaction
         :type annotation: str
@@ -501,7 +511,7 @@ 
Source code for spatialpy.core.reaction
         self.annotation = annotation

 
 
[docs]    def set_propensities(self, propensity_function=None, ode_propensity_function=None):
-        """
+        """
         Change the reaction to a customized reaction and set the propensities.
         :param propensity_function: The custom propensity function for the reaction. Must be evaluable in the
             namespace of the reaction using C operations.
@@ -535,7 +545,7 @@ 
Source code for spatialpy.core.reaction
         self.validate(coverage="initialized")

 
 
[docs]    def set_rate(self, rate):
-        """
+        """
         Change the reaction to a mass-action reaction and set the rate.
         :param rate: The rate of the mass-action reaction, take care to note the units.
         :type rate: int | float | str | Parameter
@@ -571,7 +581,7 @@ 
Source code for spatialpy.core.reaction
 
 
[docs]    def validate(self, coverage="build", reactants=None, products=None, propensity_function=None,
                  ode_propensity_function=None, marate=None, annotation=None, restrict_to=None):
-        """
+        """
         Validate the reaction.
 
         :param reactants: The reactants that are consumed in the reaction, with stoichiometry. An
@@ -745,14 +755,14 @@ 
Source code for spatialpy.core.reaction
                     raise ReactionError(errmsg)

 
 
[docs]    def annotate(self, *args, **kwargs):
-        """
+        """
         Add an annotation to this reaction (deprecated).
         :param annotation: Annotation note to be added to reaction
         :type annotation: str
         """
-        from spatialpy.core import log
+        from spatialpy.core import log
         log.warning(
-            """
+            """
             Reaction.Annotate has been deprecated.  Future releases of SpatialPy may
             not support this feature.  Use Reaction.set_annotation instead.
             """
@@ -761,15 +771,15 @@ 
Source code for spatialpy.core.reaction
         self.set_annotation(*args, **kwargs)

 
 
[docs]    def initialize(self, model):
-        """
+        """
         Deferred object initialization, called by model.add_reaction() (deprecated).
 
         :param model: Target SpatialPy Model for annotation.
         :type model: spatialpy.core.model.Model
         """
-        from spatialpy.core import log
+        from spatialpy.core import log
         log.warning(
-            """
+            """
             Reaction.initialize has been deprecated.  Future releases of SpatialPy may
             not support this feature.  Initialization of reactions is now completed in
             the constructor.
@@ -794,7 +804,7 @@ 
Source code for spatialpy.core.reaction
       ©Copyright (C) 2019-2022.
       
       |
-      Powered by Sphinx 4.4.0
+      Powered by Sphinx 5.3.0
       & Alabaster 0.7.12
       
     

diff --git a/docs/build/html/_modules/spatialpy/core/result.html b/docs/build/html/_modules/spatialpy/core/result.html
index 8e5ca966..5b710f91 100644
--- a/docs/build/html/_modules/spatialpy/core/result.html
+++ b/docs/build/html/_modules/spatialpy/core/result.html
@@ -5,14 +5,16 @@
   
     
     
-    spatialpy.core.result — SpatialPy 1.1.0 documentation
+    spatialpy.core.result — SpatialPy 1.1.3 documentation
     
     
     
     
     
     
+    
     
+    
     
     
    
@@ -73,7 +75,7 @@ 
Quick search

     
     

 

-
+
 
 
 
@@ -113,16 +115,16 @@ 
Source code for spatialpy.core.result
 import shutil
 import tempfile
 
-from collections import OrderedDict
+from collections import OrderedDict
 
 import numpy
 import plotly.graph_objs as go
-from plotly.offline import init_notebook_mode, iplot
+from plotly.offline import init_notebook_mode, iplot
 
 # from spatialpy.core.model import *
-from spatialpy.core.visualization import Visualization
-from spatialpy.core.vtkreader import VTKReader
-from spatialpy.core.spatialpyerror import ResultError
+from spatialpy.core.visualization import Visualization
+from spatialpy.core.vtkreader import VTKReader
+from spatialpy.core.spatialpyerror import ResultError
 
 try:
     import vtk
@@ -237,10 +239,10 @@ 
Source code for spatialpy.core.result
     return trace_list
 
 
[docs]class Result():
-    """
+    """
     Result object for a URDME simulation.
     """
-    def __init__(self, model=None, result_dir=None):
+    def __init__(self, model=None, result_dir=None):
         self.model = model
         self.tspan = None
         self.success = False
@@ -250,7 +252,7 @@ 
Source code for spatialpy.core.result
         self.official_vtk = False
         self.result_dir = result_dir
 
-    def __eq__(self, other):
+    def __eq__(self, other):
         if isinstance(other, Result) and self.result_dir and other.result_dir:
             # Compare contents, not shallow compare
             filecmp.cmpfiles.__defaults__ = (False,)
@@ -262,7 +264,7 @@ 
Source code for spatialpy.core.result
             return False
         return NotImplemented
 
-    def __ne__(self, other):
+    def __ne__(self, other):
         return not self.__eq__(other)
 
     def __getstate__(self):
@@ -278,7 +280,7 @@ 
Source code for spatialpy.core.result
                             resultdict[filename] = state_file.read()
                 state['results_output'] = resultdict
             except Exception as err:
-                errmsg = f"Error pickling model, could not pickle the Result output files: {err}"
+                errmsg = f"Error pickling model, could not pickle the Result output files: {err}"
                 raise ResultError(errmsg) from err
             state[key] = item
 
@@ -297,16 +299,16 @@ 
Source code for spatialpy.core.result
                     state_file.seek(0)
                     state_file.write(contents)
         except Exception as err:
-            errmsg = f"Error unpickling model, could not recreate the Result output files: {err}"
+            errmsg = f"Error unpickling model, could not recreate the Result output files: {err}"
             raise ResultError(errmsg) from err
 
-    def __del__(self):
+    def __del__(self):
         try:
             if self.result_dir is not None:
                 try:
                     shutil.rmtree(self.result_dir)
                 except OSError:
-                    print(f"Could not delete '{self.result_dir}'")
+                    print(f"Could not delete '{self.result_dir}'")
         except Exception:
             pass
 
@@ -348,7 +350,7 @@ 
Source code for spatialpy.core.result
         return types
 
 
[docs]    def read_step(self, step_num, debug=False):
-        """
+        """
         Read the data for simulation step 'step_num'. Returns a tuple containing a numpy.ndarray \
         of point coordinates [0] along with a dictionary of property and species data [1]
 
@@ -364,11 +366,11 @@ 
Source code for spatialpy.core.result
         :raises ResultError: Could not get result data for given step_num.
         """
         if debug:
-            print(f"read_step({step_num}) ", end='')
-        filename = os.path.join(self.result_dir, f"output{step_num}.vtk")
+            print(f"read_step({step_num}) ", end='')
+        filename = os.path.join(self.result_dir, f"output{step_num}.vtk")
 
         if debug:
-            print(f"opening '{filename}'")
+            print(f"opening '{filename}'")
 
         if self.official_vtk:
             reader = vtk.vtkGenericDataObjectReader()
@@ -396,12 +398,12 @@ 
Source code for spatialpy.core.result
             vtk_data = reader.get_arrays()
 
         if points is None or vtk_data is None:
-            raise ResultError(f"read_step(step_num={step_num}): got data = None")
+            raise ResultError(f"read_step(step_num={step_num}): got data = None")
 
         return (points, vtk_data)

 
 
[docs]    def get_timespan(self):
-        """
+        """
         Get the model time span. Returns a numpy array containing the time span of the model.
 
         :returns: A numpy array of the timespan containing all output time points.
@@ -412,7 +414,7 @@ 
Source code for spatialpy.core.result
         return self.tspan

 
 
[docs]    def get_species(self, species, timepoints=None, concentration=False, deterministic=False, debug=False):
-        """
+        """
         Get the populations/concentration values for a given species in the model for
         one or all timepoints. Returns a numpy array containing the species population/concentration values.
 
@@ -452,7 +454,7 @@ 
Source code for spatialpy.core.result
             spec_name = species.name
 
         if spec_name not in self.model.listOfSpecies.keys():
-            raise ResultError(f"Species '{spec_name}' not found")
+            raise ResultError(f"Species '{spec_name}' not found")
 
         l_time = len(self.get_timespan()) - 1
         t_index_arr = numpy.linspace(0, l_time, num=l_time + 1, dtype=int)
@@ -486,7 +488,7 @@ 
Source code for spatialpy.core.result
                      size=5, title=None, animated=False, t_ndx_list=None, speed=1,
                      f_duration=500, t_duration=300, return_plotly_figure=False,
                      use_matplotlib=False, debug=False):
-        """
+        """
         Plots the Results using plotly or matplotlib. Can be viewed in a Jupyter Notebook.
 
         If concentration is False (default), the integer, raw, trajectory data is returned,
@@ -565,7 +567,7 @@ 
Source code for spatialpy.core.result
         if animated and t_ndx_list is None:
             t_ndx_list = time_index_list
 
-        spec_name = f"C[{species}]" if deterministic else f"D[{species}]"
+        spec_name = f"C[{species}]" if deterministic else f"D[{species}]"
 
         # read data at time point
         if animated:
@@ -679,7 +681,7 @@ 
Source code for spatialpy.core.result
         iplot(fig)

 
 
[docs]    def get_property(self, property_name, timepoints=None):
-        """
+        """
         Get the property values for a given species in the model for \
         one or all timepoints. If 'timepoints' is None (default), a matrix of dimension: \
         (number of timepoints) x (number of voxels) is returned.  If an integer value is \
@@ -738,7 +740,7 @@ 
Source code for spatialpy.core.result
                       colormap=None, size=None, title=None, animated=False, t_ndx_list=None, speed=1,
                       f_duration=500, t_duration=300, included_types_list=None, return_plotly_figure=False,
                       use_matplotlib=False, debug=False):
-        """
+        """
         Plots the Results using plotly. Can only be viewed in a Jupyter Notebook.
 
         :param property_name: A string describing the property to be plotted.
@@ -978,7 +980,7 @@ 
Source code for spatialpy.core.result
         iplot(fig)

 
 
[docs]    def export_to_csv(self, folder_name=None):
-        """
+        """
         Write the trajectory to a set of CSV files. The first, modelname_mesh.csv, specifies the mesh.
         The other files, modelname_species_S.csv, for species named S, specify trajectory data for each species.
         The columns of modelname_mesh.csv are: 'Voxel ID', 'X', 'Y', 'Z', 'Type', 'Volume', 'Mass', 'Viscosity'
@@ -1004,19 +1006,19 @@ 
Source code for spatialpy.core.result
 
         for species in self.model.listOfSpecies:
             #['Voxel', 'Time 0', Time 1', ... 'Time N']
-            with open(os.path.join(folder_name, self.model.name + f'_species_{species}.csv'), 'w+') as csvfile:
+            with open(os.path.join(folder_name, self.model.name + f'_species_{species}.csv'), 'w+') as csvfile:
                 data = self.get_species(species)
                 (num_time, num_vox) = data.shape
                 writer = csv.writer(csvfile, delimiter=',')
                 header_row = ['Voxel']
                 for time in range(num_time):
-                    header_row.append(f'Time {time}')
+                    header_row.append(f'Time {time}')
                 writer.writerow(header_row)
                 for voxel in range(num_vox):
                     writer.writerow([voxel] + data[:,voxel].tolist())

 
     def __export_to_vtk(self, timespan, folder_name=None):
-        """
+        """
         Write the trajectory to a collection of vtk files.
         The exported data is #molecules/volume, where the volume unit is implicit from the mesh dimension.
         Not currently implemented.
@@ -1041,7 +1043,7 @@ 
Source code for spatialpy.core.result
       ©Copyright (C) 2019-2022.
       
       |
-      Powered by Sphinx 4.4.0
+      Powered by Sphinx 5.3.0
       & Alabaster 0.7.12
       
     

diff --git a/docs/build/html/_modules/spatialpy/core/spatialpyerror.html b/docs/build/html/_modules/spatialpy/core/spatialpyerror.html
index bb7f26d3..ff55b286 100644
--- a/docs/build/html/_modules/spatialpy/core/spatialpyerror.html
+++ b/docs/build/html/_modules/spatialpy/core/spatialpyerror.html
@@ -5,14 +5,16 @@
   
     
     
-    spatialpy.core.spatialpyerror — SpatialPy 1.1.0 documentation
+    spatialpy.core.spatialpyerror — SpatialPy 1.1.3 documentation
     
     
     
     
     
     
+    
     
+    
     
     
    
@@ -73,7 +75,7 @@ 
Quick search

     
     

 

-
+
 
 
 
@@ -109,83 +111,83 @@ 
Source code for spatialpy.core.spatialpyerror
# Base Module Expections
 
[docs]class ModelError(Exception):
-    """
+    """
     Class for exceptions in the model module.
     """

 
 
[docs]class ResultError(Exception):
-    """
+    """
     Class for exceptions in the results module.
     """

 
 
[docs]class VisualizationError(Exception):
-    """
+    """
     Class for exceptions in the visualization module.
     """

 
 
[docs]class VTKReaderError(Exception):
-    """
+    """
     Bass class for exceptions in the vtkreader module.
     """

 
 
[docs]class SimulationError(Exception):
-    """
+    """
     Class for exceptions in the simulation module.
     """

 
 # Model Component Exceptions
 
[docs]class BoundaryConditionError(ModelError):
-    """
+    """
     Base class for exceptions in the boundarycondition module.
     """

 
 
[docs]class DataFunctionError(ModelError):
-    """
+    """
     Class for exceptions in the datafunction module.
     """

 
 
[docs]class DomainError(ModelError):
-    """
+    """
     Class for exceptions in the domain module.
     """

 
 
[docs]class GeometryError(ModelError):
-    """
+    """
     Class for exceptions in the geometry module.
     """

 
 
[docs]class InitialConditionError(ModelError):
-    """
+    """
     Class for exceptions in initailcondition module.
     """

 
 
[docs]class LatticeError(ModelError):
-    """
+    """
     Class for exceptions in lattice module.
     """

 
 
[docs]class ParameterError(ModelError):
-    """
+    """
     Class for exceptions in parameter module.
     """

 
 
[docs]class ReactionError(ModelError):
-    """
+    """
     Class for exceptions in reaction module.
     """

 
 
[docs]class SpeciesError(ModelError):
-    """
+    """
     Class for exceptions in the species module.
     """

 
 
[docs]class TimespanError(ModelError):
-    """
+    """
     Class for exceptions in the timespan module.
     """

 
 
[docs]class TransformationError(ModelError):
-    """
+    """
     Class for exceptions in the transformation module.
     """

 
@@ -197,16 +199,16 @@ 
Source code for spatialpy.core.spatialpyerror
# VTKReader Exceptions
 
[docs]class VTKReaderIOError(VTKReaderError):
-    """
+    """
     Exception raised for I/O errors.
     """
-    def __init__(self, message):
+    def __init__(self, message):
         super().__init__(message)
         self.message = message

 
 # Simulation Exceptions
 
[docs]class SimulationTimeout(SimulationError):
-    """
+    """
     Exception raised for timeout errors.
     """

 

@@ -228,7 +230,7 @@ 
Source code for spatialpy.core.spatialpyerror
Sphinx 4.4.0
+      Powered by Sphinx 5.3.0
       & Alabaster 0.7.12
       
     

diff --git a/docs/build/html/_modules/spatialpy/core/species.html b/docs/build/html/_modules/spatialpy/core/species.html
index 75ccce9a..3b5a89c6 100644
--- a/docs/build/html/_modules/spatialpy/core/species.html
+++ b/docs/build/html/_modules/spatialpy/core/species.html
@@ -5,14 +5,16 @@
   
     
     
-    spatialpy.core.species — SpatialPy 1.1.0 documentation
+    spatialpy.core.species — SpatialPy 1.1.3 documentation
     
     
     
     
     
     
+    
     
+    
     
     
    
@@ -73,7 +75,7 @@ 
Quick search

     
     

 

-
+
 
 
 
@@ -106,11 +108,11 @@ 
Source code for spatialpy.core.species
 
 # You should have received a copy of the GNU General Public License
 # along with this program.  If not, see <http://www.gnu.org/licenses/>.
-from spatialpy.core.parameter import Parameter
-from spatialpy.core.spatialpyerror import SpeciesError
+from spatialpy.core.parameter import Parameter
+from spatialpy.core.spatialpyerror import SpeciesError
 
 
[docs]class Species():
-    """
+    """
     Model of a biochemical species. Must be assigned a diffusion coefficent.
 
     :param name: Name of the Species
@@ -123,7 +125,7 @@ 
Source code for spatialpy.core.species
     This effectively restricts the movement of 'species' to the types specified in 'listOfTypes'.
     :type restrict_to: int, str, list of ints or list of strs
     """
-    def __init__(self, name=None, diffusion_coefficient=None, restrict_to=None):
+    def __init__(self, name=None, diffusion_coefficient=None, restrict_to=None):
         if not (restrict_to is None or isinstance(restrict_to, (str, int, list))):
             raise SpeciesError("Restrict_to must be an int, str or list of ints or strs.")
         if restrict_to is not None and isinstance(restrict_to, (int, str)):
@@ -136,16 +138,16 @@ 
Source code for spatialpy.core.species
         else:
             self.restrict_to = []
             for type_id in restrict_to:
-                self.restrict_to.append(f"type_{type_id}")
+                self.restrict_to.append(f"type_{type_id}")
 
         self.validate()
 
-    def __str__(self):
-        print_string = f"{self.name}: {str(self.diffusion_coefficient)}"
+    def __str__(self):
+        print_string = f"{self.name}: {str(self.diffusion_coefficient)}"
         return print_string
 
 
[docs]    def set_diffusion_coefficient(self, diffusion_coefficient):
-        """
+        """
         Setter method for non-constant coefficient of diffusion for Species.
 
         :param diffusion_coefficient: Non-constant coefficient of diffusion for Species.
@@ -158,7 +160,7 @@ 
Source code for spatialpy.core.species
         self.diffusion_coefficient = diffusion_coefficient

 
 
[docs]    def validate(self, diffusion_coefficient=None, coverage="all"):
-        """
+        """
         Validate the species.
 
         :param coverage: The scope of attributes to validate.  Set to an attribute name to restrict validation \
@@ -173,7 +175,7 @@ 
Source code for spatialpy.core.species
             if self.name is None:
                 raise SpeciesError("name can't be None type.")
             if not isinstance(self.name, str):
-                raise SpeciesError(f"name must be of type str not {type(self.name)}.")
+                raise SpeciesError(f"name must be of type str not {type(self.name)}.")
             if self.name == "":
                 raise SpeciesError("name can't be an empty str.")
 
@@ -187,7 +189,7 @@ 
Source code for spatialpy.core.species
             if not (isinstance(diffusion_coefficient, (Parameter, str, float, int)) or \
                     type(diffusion_coefficient).__name__ == 'Parameter'):
                 errmsg = "diffusion_coefficient must be of type SpatialPy.Parameter, "
-                errmsg += f"str, int, float not {type(diffusion_coefficient)}"
+                errmsg += f"str, int, float not {type(diffusion_coefficient)}"
                 raise SpeciesError(errmsg)
             if isinstance(diffusion_coefficient, (int, float)) and diffusion_coefficient < 0:
                 raise SpeciesError("diffusion_coefficient must be a positive value.")
@@ -217,7 +219,7 @@ 
Source code for spatialpy.core.species
       ©Copyright (C) 2019-2022.
       
       |
-      Powered by Sphinx 4.4.0
+      Powered by Sphinx 5.3.0
       & Alabaster 0.7.12
       
     

diff --git a/docs/build/html/_modules/spatialpy/core/timespan.html b/docs/build/html/_modules/spatialpy/core/timespan.html
index 6db0558c..5fef7033 100644
--- a/docs/build/html/_modules/spatialpy/core/timespan.html
+++ b/docs/build/html/_modules/spatialpy/core/timespan.html
@@ -5,14 +5,16 @@
   
     
     
-    spatialpy.core.timespan — SpatialPy 1.1.0 documentation
+    spatialpy.core.timespan — SpatialPy 1.1.3 documentation
     
     
     
     
     
     
+    
     
+    
     
     
    
@@ -73,7 +75,7 @@ 
Quick search

     
     

 

-
+
 
 
 
@@ -108,12 +110,12 @@ 
Source code for spatialpy.core.timespan
 # along with this program.  If not, see <http://www.gnu.org/licenses/>.
 import math
 import numpy as np
-from collections.abc import Iterator
+from collections.abc import Iterator
 
-from .spatialpyerror import TimespanError
+from .spatialpyerror import TimespanError
 
 
[docs]class TimeSpan(Iterator):
-    """
+    """
     Model timespan that describes the duration to run the simulation and at which timepoint to sample
     the species populations during the simulation.
 
@@ -126,7 +128,7 @@ 
Source code for spatialpy.core.timespan
 
     :raises TimespanError: items is an invalid type.
     """
-    def __init__(self, items, timestep_size=None):
+    def __init__(self, items, timestep_size=None):
         if isinstance(items, (list, tuple, range)):
             items = np.array(items)
 
@@ -141,22 +143,22 @@ 
Source code for spatialpy.core.timespan
 
         self.validate(coverage="initialized")
 
-    def __eq__(self, o):
+    def __eq__(self, o):
         return self.items.__eq__(o).all()
 
-    def __getitem__(self, key):
+    def __getitem__(self, key):
         return self.items.__getitem__(key)
 
-    def __iter__(self):
+    def __iter__(self):
         return self.items.__iter__()
 
-    def __len__(self):
+    def __len__(self):
         return self.items.__len__()
 
-    def __next__(self):
+    def __next__(self):
         return self.items.__next__()
 
-    def __str__(self):
+    def __str__(self):
         return self.items.__str__()
 
     def _ipython_display_(self):
@@ -179,7 +181,7 @@ 
Source code for spatialpy.core.timespan
 
 
[docs]    @classmethod
     def linspace(cls, t=20, num_points=None, timestep_size=None):
-        """
+        """
         Creates a timespan using the form np.linspace(0, <t>, <num_points, inclusive>).
 
         :param t: End time for the simulation.
@@ -208,7 +210,7 @@ 
Source code for spatialpy.core.timespan
 
 
[docs]    @classmethod
     def arange(cls, increment, t=20, timestep_size=None):
-        """
+        """
         Creates a timespan using the form np.arange(0, <t, inclusive>, <increment>).
 
         :param increment: Distance between sample points for the species populations during the simulation.
@@ -234,7 +236,7 @@ 
Source code for spatialpy.core.timespan
         return cls(items, timestep_size=timestep_size)

 
 
[docs]    def validate(self, items=None, timestep_size=None, coverage="build"):
-        """
+        """
         Validate the models time span
 
         :param timestep_size: Size of each timestep in seconds
@@ -322,7 +324,7 @@ 
Source code for spatialpy.core.timespan
       ©Copyright (C) 2019-2022.
       
       |
-      Powered by Sphinx 4.4.0
+      Powered by Sphinx 5.3.0
       & Alabaster 0.7.12
       
     

diff --git a/docs/build/html/_modules/spatialpy/core/transformation.html b/docs/build/html/_modules/spatialpy/core/transformation.html
index 6178cd8d..173718e6 100644
--- a/docs/build/html/_modules/spatialpy/core/transformation.html
+++ b/docs/build/html/_modules/spatialpy/core/transformation.html
@@ -5,14 +5,16 @@
   
     
     
-    spatialpy.core.transformation — SpatialPy 1.1.0 documentation
+    spatialpy.core.transformation — SpatialPy 1.1.3 documentation
     
     
     
     
     
     
+    
     
+    
     
     
    
@@ -73,7 +75,7 @@ 
Quick search

     
     

 

-
+
 
 
 
@@ -109,13 +111,13 @@ 
Source code for spatialpy.core.transformation
import copy
 import numpy
 
-from spatialpy.core.geometry import Geometry, CombinatoryGeometry
-from spatialpy.core.lattice import Lattice
-from spatialpy.core.spatialpyerror import TransformationError
+from spatialpy.core.geometry import Geometry, CombinatoryGeometry
+from spatialpy.core.lattice import Lattice
+from spatialpy.core.spatialpyerror import TransformationError
 
 
 
[docs]class Transformation:
-    """
+    """
     Transformation class provides a methods for applying and reversing
         transformations to parts the spatial domain.
 
@@ -134,7 +136,7 @@ 
Source code for spatialpy.core.transformation
    :raises TransformationError: if the provided Geometry, Lattice, or
         Transformation are invalid.
     """
-    def __init__(self, geometry=None, lattice=None, transformation=None, skip_validate=False):
+    def __init__(self, geometry=None, lattice=None, transformation=None, skip_validate=False):
         self.geometry = geometry
         self.lattice = lattice
         self.transformation = transformation
@@ -143,7 +145,7 @@ 
Source code for spatialpy.core.transformation
self.validate()
 
 
[docs]    def apply(self, domain, geometry, **kwargs):
-        """
+        """
         Wrapper for Lattice.apply that passes in a transformation function used to transform
             particles within the region defined by the lattice and geometry.
 
@@ -167,7 +169,7 @@ 
Source code for spatialpy.core.transformation
return self.lattice.apply(domain, geometry, transform=self.transform, **kwargs)

 
 
[docs]    def inside(self, point, on_boundary):
-        """
+        """
         Wrapper for Geometry.inside.
 
         :param point: X, Y, Z coodinates for the particle.
@@ -188,7 +190,7 @@ 
Source code for spatialpy.core.transformation
return self.geometry.inside(r_point, on_boundary)

 
 
[docs]    def reverse_transform(self, point):
-        """
+        """
         Reverses the define transformation for the given point.
 
         :param point: X, Y, Z coodinates for the particle.
@@ -202,7 +204,7 @@ 
Source code for spatialpy.core.transformation
)

 
 
[docs]    def transform(self, point):
-        """
+        """
         Applies the define transformation to the given point.
 
         :param point: X, Y, Z coodinates for the particle.
@@ -216,7 +218,7 @@ 
Source code for spatialpy.core.transformation
)

 
 
[docs]    def validate(self):
-        """
+        """
         Validate the geometry, lattice, and transformation attributes.
         """
         if self.geometry is not None:
@@ -234,7 +236,7 @@ 
Source code for spatialpy.core.transformation
raise TransformationError("transformation must be of type spatialpy.Transformation.")

 
 
[docs]class TranslationTransformation(Transformation):
-    """
+    """
     Translation transformation class provides a methods for applying and reversing
         translation transformations by an arbitrary vector to parts the spatial
         domain.
@@ -258,7 +260,7 @@ 
Source code for spatialpy.core.transformation
    :raises TransformationError: if the provided Geometry, Lattice, or
         Transformation are invalid.
     """
-    def __init__(self, vector, geometry=None, lattice=None, transformation=None):
+    def __init__(self, vector, geometry=None, lattice=None, transformation=None):
         super().__init__(
             geometry=geometry, lattice=lattice, transformation=transformation, skip_validate=True
         )
@@ -293,7 +295,7 @@ 
Source code for spatialpy.core.transformation
return t_point
     
 
[docs]    def reverse_transform(self, point):
-        """
+        """
         Reverses the defined rotation transformation for the given point.
 
         :param point: X, Y, Z coodinates for the particle.
@@ -310,7 +312,7 @@ 
Source code for spatialpy.core.transformation
return self.__execute(point, self.vector * -1)

 
 
[docs]    def transform(self, point):
-        """
+        """
         Applies the defined translation transformation to the given point.
 
         :param point: X, Y, Z coodinates for the particle.
@@ -327,13 +329,13 @@ 
Source code for spatialpy.core.transformation
return t_point

 
 
[docs]    def validate(self):
-        """
+        """
         Validate the rotation transformation attributes.
         """
         super().validate()

 
 
[docs]class RotationTransformation(Transformation):
-    """
+    """
     Rotation transformation class provides a methods for applying and reversing
         rotation transformations around an arbitrary vector by a given angle to
         parts the spatial domain.
@@ -360,7 +362,7 @@ 
Source code for spatialpy.core.transformation
    :raises TransformationError: if the provided Geometry, Lattice, or
         Transformation are invalid.
     """
-    def __init__(self, vector, angle, geometry=None, lattice=None, transformation=None):
+    def __init__(self, vector, angle, geometry=None, lattice=None, transformation=None):
         super().__init__(
             geometry=geometry, lattice=lattice, transformation=transformation, skip_validate=True
         )
@@ -411,7 +413,7 @@ 
Source code for spatialpy.core.transformation
return numpy.matmul(matrix, point)
     
 
[docs]    def reverse_transform(self, point):
-        """
+        """
         Reverses the defined rotation transformation for the given point.
 
         :param point: X, Y, Z coodinates for the particle.
@@ -429,7 +431,7 @@ 
Source code for spatialpy.core.transformation
return self.__execute(point, sin_t, cos_t)

 
 
[docs]    def transform(self, point):
-        """
+        """
         Applies the defined rotation transformation to the given point.
 
         :param point: X, Y, Z coodinates for the particle.
@@ -449,7 +451,7 @@ 
Source code for spatialpy.core.transformation
return t_point

 
 
[docs]    def validate(self):
-        """
+        """
         Validate the rotation transformation attributes.
         """
         super().validate()
@@ -458,7 +460,7 @@ 
Source code for spatialpy.core.transformation
raise TransformationError("angle must be of type float.")

 
 
[docs]class ReflectionTransformation(Transformation):
-    """
+    """
     Reflection transformation class provides a methods for applying and reversing
         reflection transformations around an arbitrary plane to parts the spatial
         domain.
@@ -490,7 +492,7 @@ 
Source code for spatialpy.core.transformation
    :raises TransformationError: if the provided Geometry, Lattice, or
         Transformation are invalid.
     """
-    def __init__(self, point1, normal=None, point2=None,
+    def __init__(self, point1, normal=None, point2=None,
                  point3=None, geometry=None, lattice=None, transformation=None):
         super().__init__(
             geometry=geometry, lattice=lattice, transformation=transformation, skip_validate=True
@@ -537,7 +539,7 @@ 
Source code for spatialpy.core.transformation
return numpy.matmul(matrix, p_vector) + self.point
 
 
[docs]    def reverse_transform(self, point):
-        """
+        """
         Reverses the defined reflection transformation for the given point.
 
         :param point: X, Y, Z coodinates for the particle.
@@ -552,7 +554,7 @@ 
Source code for spatialpy.core.transformation
return self.__execute(point)

 
 
[docs]    def transform(self, point):
-        """
+        """
         Applies the defined reflection transformation to the given point.
 
         :param point: X, Y, Z coodinates for the particle.
@@ -569,7 +571,7 @@ 
Source code for spatialpy.core.transformation
return t_point

 
 
[docs]class ScalingTransformation(Transformation):
-    """
+    """
     Scaling transformation class provides a methods for applying and reversing
         scaling transformations around an arbitrary plane to parts the spatial
         domain.
@@ -595,7 +597,7 @@ 
Source code for spatialpy.core.transformation
    :raises TransformationError: if the provided Geometry, Lattice, or
         Transformation are invalid.
     """
-    def __init__(self, factor, center=None, geometry=None, lattice=None, transformation=None):
+    def __init__(self, factor, center=None, geometry=None, lattice=None, transformation=None):
         super().__init__(
             geometry=geometry, lattice=lattice, transformation=transformation, skip_validate=True
         )
@@ -621,7 +623,7 @@ 
Source code for spatialpy.core.transformation
return t_point
 
 
[docs]    def reverse_transform(self, point):
-        """
+        """
         Reverses the defined scaling transformation for the given point.
 
         :param point: X, Y, Z coodinates for the particle.
@@ -636,7 +638,7 @@ 
Source code for spatialpy.core.transformation
return self.__execute(point, 1 / self.factor)

 
 
[docs]    def transform(self, point):
-        """
+        """
         Applies the defined scaling transformation to the given point.
 
         :param point: X, Y, Z coodinates for the particle.
@@ -653,15 +655,15 @@ 
Source code for spatialpy.core.transformation
return t_point

 
 
[docs]    def validate(self):
-        """
+        """
         Validate the scaling transformation attributes.
         """
         super().validate()
 
         if not isinstance(self.factor, (int, float)):
-            raise TransformationError(f"factor must be of type float not {type(self.factor)}")
+            raise TransformationError(f"factor must be of type float not {type(self.factor)}")
         if self.factor <= 0:
-            raise TransformationError(f"factor must be positive.")

+            raise TransformationError(f"factor must be positive.")

 

 
           

@@ -681,7 +683,7 @@ 
Source code for spatialpy.core.transformation
Sphinx 4.4.0
+      Powered by Sphinx 5.3.0
       & Alabaster 0.7.12
       
     

diff --git a/docs/build/html/_modules/spatialpy/core/visualization.html b/docs/build/html/_modules/spatialpy/core/visualization.html
index 7f8124b4..866d775c 100644
--- a/docs/build/html/_modules/spatialpy/core/visualization.html
+++ b/docs/build/html/_modules/spatialpy/core/visualization.html
@@ -5,14 +5,16 @@
   
     
     
-    spatialpy.core.visualization — SpatialPy 1.1.0 documentation
+    spatialpy.core.visualization — SpatialPy 1.1.3 documentation
     
     
     
     
     
     
+    
     
+    
     
     
    
@@ -73,7 +75,7 @@ 
Quick search

     
     

 

-
+
 
 
 
@@ -116,7 +118,7 @@ 
Source code for spatialpy.core.visualization
except ImportError as err:
     mpl_import_err = err
 
-from spatialpy.core.spatialpyerror import VisualizationError
+from spatialpy.core.spatialpyerror import VisualizationError
 
 common_rgb_values=['#1f77b4','#ff7f0e','#2ca02c','#d62728','#9467bd','#8c564b','#e377c2','#7f7f7f',
                    '#bcbd22','#17becf','#ff0000','#00ff00','#0000ff','#ffff00','#00ffff','#ff00ff',
@@ -158,8 +160,8 @@ 
Source code for spatialpy.core.visualization
if name in supported_splts_args or name in supported_fig_args:
             kwargs[name] = val
         else:
-            from spatialpy.core import log # pylint: disable=import-outside-toplevel
-            logmsg = f"Un-supported key word argument: {name} is not currently supported"
+            from spatialpy.core import log # pylint: disable=import-outside-toplevel
+            logmsg = f"Un-supported key word argument: {name} is not currently supported"
             log.warning(logmsg)
     return kwargs
 
@@ -169,14 +171,14 @@ 
Source code for spatialpy.core.visualization
MPL_HEIGHT = 4.8
     MPL_SIZE = 40
 
-    def __init__(self, data):
+    def __init__(self, data):
         self.data = data
 
     def __get_grid_shape(self, multiple_graphs):
         if isinstance(multiple_graphs, tuple):
             num_subplots = multiple_graphs[0] * multiple_graphs[1]
             if num_subplots < len(self.data.keys()):
-                errmsg = f"The shape {multiple_graphs} of the graphs is to small for the given data"
+                errmsg = f"The shape {multiple_graphs} of the graphs is to small for the given data"
                 raise VisualizationError(errmsg)
             nrows = multiple_graphs[0]
             ncols = multiple_graphs[1]
@@ -193,7 +195,7 @@ 
Source code for spatialpy.core.visualization
group_args = args[name]
         if "cmap" in group_args and "color" in group_args:
-            errmsg = f"scatter args for {name}: 'cmap' and 'color' cannot both be set."
+            errmsg = f"scatter args for {name}: 'cmap' and 'color' cannot both be set."
             raise VisualizationError(errmsg)
 
         kwargs = {}
@@ -201,8 +203,8 @@ 
Source code for spatialpy.core.visualization
if arg_name in supported_args:
                 kwargs[arg_name] = val
             else:
-                from spatialpy.core import log # pylint: disable=import-outside-toplevel
-                logmsg = f"Un-supported key word argument: {arg_name} is not currently supported"
+                from spatialpy.core import log # pylint: disable=import-outside-toplevel
+                logmsg = f"Un-supported key word argument: {arg_name} is not currently supported"
                 log.warning(logmsg)
         if "s" not in kwargs:
             if "size_scale" in self.data[name]:
@@ -214,7 +216,7 @@ 
Source code for spatialpy.core.visualization
return kwargs
 
 
[docs]    def plot_scatter(self, plot_args=None, scatter_args=None, multiple_graphs=False, title=None, limits=None):
-        """
+        """
         Visualize data using maplotlib scatter plots.
 
         :param plot_args: additional keyword arguments passed to :py:class:`matplotlib.pyplot.subplots`
@@ -294,7 +296,7 @@ 
Source code for spatialpy.core.visualization
Sphinx 4.4.0
+      Powered by Sphinx 5.3.0
       & Alabaster 0.7.12
       
     

diff --git a/docs/build/html/_modules/spatialpy/core/vtkreader.html b/docs/build/html/_modules/spatialpy/core/vtkreader.html
index 9dfd98e5..68f08c44 100644
--- a/docs/build/html/_modules/spatialpy/core/vtkreader.html
+++ b/docs/build/html/_modules/spatialpy/core/vtkreader.html
@@ -5,14 +5,16 @@
   
     
     
-    spatialpy.core.vtkreader — SpatialPy 1.1.0 documentation
+    spatialpy.core.vtkreader — SpatialPy 1.1.3 documentation
     
     
     
     
     
     
+    
     
+    
     
     
    
@@ -73,7 +75,7 @@ 
Quick search

     
     

 

-
+
 
 
 
@@ -109,7 +111,7 @@ 
Source code for spatialpy.core.vtkreader
 
 import numpy
 
-from spatialpy.core.spatialpyerror import VTKReaderIOError
+from spatialpy.core.spatialpyerror import VTKReaderIOError
 
 def _is_valid_num(numstr):
     try:
@@ -130,10 +132,10 @@ 
Source code for spatialpy.core.vtkreader
             name, col, row, datatype = line.strip().split()
             # got another PointData section
         except Exception as err:
-            print(f"Error: {err}")
+            print(f"Error: {err}")
             print("on line >>>")
             print(line, end='')
-            print(f"<<< {data_file.tell()}")
+            print(f"<<< {data_file.tell()}")
             raise err
         col = int(col)
         row = int(row)
@@ -171,7 +173,7 @@ 
Source code for spatialpy.core.vtkreader
     vtkdata[name] = array
 
 
[docs]class VTKReader:
-    """
+    """
     VTKReader.py: SpatialPy minimal VTK legacy file reader.
     Reference: https://vtk.org/wp-content/uploads/2015/04/file-formats.pdf
 
@@ -181,7 +183,7 @@ 
Source code for spatialpy.core.vtkreader
     :param debug: If true, will print debugging information.
     :type debug: bool
     """
-    def __init__(self, filename=None, debug=False):
+    def __init__(self, filename=None, debug=False):
 
         self.filename = filename
         self.pointdatatype = None
@@ -203,7 +205,7 @@ 
Source code for spatialpy.core.vtkreader
         return pointlist
 
 
[docs]    def set_filename(self, filename):
-        """
+        """
         Set the filename.
 
         :params filename: Filename
@@ -212,7 +214,7 @@ 
Source code for spatialpy.core.vtkreader
         self.filename = filename

 
 
[docs]    def get_array_name(self, index):
-        """
+        """
         Get the array name.
 
         :param index: index
@@ -228,7 +230,7 @@ 
Source code for spatialpy.core.vtkreader
         return None

 
 
[docs]    def get_arrays(self):
-        """
+        """
         Get the dictionary of arrays.
 
         :returns: dictionary of data arrays
@@ -237,7 +239,7 @@ 
Source code for spatialpy.core.vtkreader
         return self.arrays

 
 
[docs]    def get_num_points(self):
-        """
+        """
         Get the number of points.
 
         :returns: Number of points
@@ -246,7 +248,7 @@ 
Source code for spatialpy.core.vtkreader
         return self.numpoints

 
 
[docs]    def get_points(self):
-        """
+        """
         Get the list of points.
 
         :returns: List of points.
@@ -255,21 +257,21 @@ 
Source code for spatialpy.core.vtkreader
         return self.points

 
 
[docs]    def read_file(self):
-        """
+        """
         Read VTK file.
 
         :raises VTKReaderIOError: Invalid ASCII VTK file
         """
         with open(self.filename, encoding="utf-8") as data_file:
             if self.debug:
-                print(f"open({self.filename})")
+                print(f"open({self.filename})")
             tmp =  data_file.readline()
             tmp =  data_file.readline()
 
             # We only output ASCII so we can ignore BINARY
             tmp =  data_file.readline()
             if tmp.strip().upper() != "ASCII":
-                raise VTKReaderIOError(f"{self.filename} doesn't look like a valid ASCII VTK file.")
+                raise VTKReaderIOError(f"{self.filename} doesn't look like a valid ASCII VTK file.")
 
             tmp =  data_file.readline()
 
@@ -304,7 +306,7 @@ 
Source code for spatialpy.core.vtkreader
       ©Copyright (C) 2019-2022.
       
       |
-      Powered by Sphinx 4.4.0
+      Powered by Sphinx 5.3.0
       & Alabaster 0.7.12
       
     

diff --git a/docs/build/html/_modules/spatialpy/solvers/build_expression.html b/docs/build/html/_modules/spatialpy/solvers/build_expression.html
index 0f15eacd..86525ec6 100644
--- a/docs/build/html/_modules/spatialpy/solvers/build_expression.html
+++ b/docs/build/html/_modules/spatialpy/solvers/build_expression.html
@@ -5,14 +5,16 @@
   
     
     
-    spatialpy.solvers.build_expression — SpatialPy 1.1.0 documentation
+    spatialpy.solvers.build_expression — SpatialPy 1.1.3 documentation
     
     
     
     
     
     
+    
     
+    
     
     
    
@@ -73,7 +75,7 @@ 
Quick search

     
     

 

-
+
 
 
 
@@ -110,7 +112,7 @@ 
Source code for spatialpy.solvers.build_expression
import ast
 
 
[docs]class BuildExpression:
-    """
+    """
     Accepts an expression string to validate and convert.
     Allows for pre-flight syntax and namespace validations,
     as well as converting between Python and C++ expressions.
@@ -134,7 +136,7 @@ 
Source code for spatialpy.solvers.build_expression
    corresponding namespace values in the namespace dict when getexpr_* methods are called.
     :type sanitize: bool
     """
-    def __init__(self, blacklist=None, namespace=None, sanitize=False):
+    def __init__(self, blacklist=None, namespace=None, sanitize=False):
         if blacklist is None:
             blacklist = dict({})
         elif not isinstance(blacklist, dict):
@@ -146,7 +148,7 @@ 
Source code for spatialpy.solvers.build_expression
self.sanitize = sanitize
 
 
[docs]    class ValidationVisitor(ast.NodeTransformer):
-        """
+        """
         A subclass of ast.NodeTransformer used to sanitize spatialpy expresions.
 
         :param namespace: SpactialPy namespace.
@@ -158,7 +160,7 @@ 
Source code for spatialpy.solvers.build_expression
        :param sanitize: Whether or not to sanitize nodes.
         :type sanitize: bool
         """
-        def __init__(self, namespace=None, blacklist=None, sanitize=False):
+        def __init__(self, namespace=None, blacklist=None, sanitize=False):
             self.namespace = dict({}) if namespace is None else namespace
             self.blacklist = dict({}) if blacklist is None else blacklist
             self.sanitize = sanitize
@@ -166,7 +168,7 @@ 
Source code for spatialpy.solvers.build_expression
self.invalid_operators = []
 
         def _check_blacklist(self, operator):
-            """
+            """
             Helper function to check literal expression operators against blacklisted operators
 
             :param operator: operator to check
@@ -177,7 +179,7 @@ 
Source code for spatialpy.solvers.build_expression
self.invalid_operators.append(str(self.blacklist.get(operator)))
 
 
[docs]        def visit_Name(self, node): # pylint: disable=invalid-name
-            """
+            """
             Visitor function for ast.Name nodes.
 
             :param node: A node of type 'Name' from an AST.
@@ -194,7 +196,7 @@ 
Source code for spatialpy.solvers.build_expression
return node

 
 
[docs]        def visit_Call(self, node): # pylint: disable=invalid-name
-            """
+            """
             Visitor function for ast.Call nodes.
 
             :param node: A node of type 'Call' from an AST.
@@ -211,7 +213,7 @@ 
Source code for spatialpy.solvers.build_expression
return node

 
 
[docs]        def visit_BinOp(self, node): # pylint: disable=invalid-name
-            """
+            """
             Visitor function for ast.BinOp nodes.
 
             :param node: A node of type 'BinOp' from an AST.
@@ -225,7 +227,7 @@ 
Source code for spatialpy.solvers.build_expression
return node

 
 
[docs]        def visit_UnaryOp(self, node): # pylint: disable=invalid-name
-            """
+            """
             Visitor function for ast.UnaryOp nodes.
 
             :param node: A node of type 'UnaryOp' from an AST.
@@ -239,7 +241,7 @@ 
Source code for spatialpy.solvers.build_expression
return node

 
 
[docs]        def visit_BoolOp(self, node): # pylint: disable=invalid-name
-            """
+            """
             Visitor function for ast.BoolOp nodes.
 
             :param node: A node of type 'BoolOp' from an AST.
@@ -253,7 +255,7 @@ 
Source code for spatialpy.solvers.build_expression
return node

 
 
[docs]        def visit_Compare(self, node): # pylint: disable=invalid-name
-            """
+            """
             Visitor function for ast.Compare nodes.
 
             :param node: A node of type 'Compare' from an AST.
@@ -268,7 +270,7 @@ 
Source code for spatialpy.solvers.build_expression
return node

 
 
[docs]        def visit_Assign(self, node: "ast.Assign"): # pylint: disable=invalid-name
-            """
+            """
             Visitor function for ast.Assign nodes.
 
             :param node: A node of type 'Assign' from an AST.
@@ -310,7 +312,7 @@ 
Source code for spatialpy.solvers.build_expression
[docs]    @classmethod
     def map_operator(cls, operator):
-        """
+        """
         Map operator strings with built expressions.
 
         :param operator: Operator to be mapped
@@ -328,7 +330,7 @@ 
Source code for spatialpy.solvers.build_expression
yield operator

 
 
[docs]    def with_blacklist(self, blacklist=None):
-        """
+        """
         Create a new duplicate of the current expression, with a different operator blacklist.
         Overrides operator handling behavior when converting or validating the expression.
 
@@ -344,7 +346,7 @@ 
Source code for spatialpy.solvers.build_expression
return BuildExpression(blacklist=blacklist, namespace=self.namespace)

 
 
[docs]    def with_namespace(self, namespace=None):
-        """
+        """
         Create a new duplicate of the current expression, with a different namespace.
         Any identifiers present in the expression which are not listed in the namespace
         will cause the expression to be flagged as an invalid namespace during validation.
@@ -363,7 +365,7 @@ 
Source code for spatialpy.solvers.build_expression
return BuildExpression(blacklist=self.blacklist.copy(), namespace=namespace)

 
 
[docs]    def validate(self, statement):
-        """
+        """
         Using the information provided so far, ensure that the given Python expression is valid.
         The Python expression is parsed, raising a SyntaxError if it is an invalid Python expression.
         The expression is then checked against the given properties, such as namespace and operator blacklist.
@@ -384,7 +386,7 @@ 
Source code for spatialpy.solvers.build_expression
return ExpressionResults(invalid_names=validator.invalid_names, invalid_operators=validator.invalid_operators)

 
 
[docs]    def getexpr_python(self, statement):
-        """
+        """
         Converts the expression object into a Python expression string.
 
         :param statement: C++ expression to be converted.
@@ -399,7 +401,7 @@ 
Source code for spatialpy.solvers.build_expression
return self.__get_expr(PythonConverter(expr))

 
 
[docs]    def getexpr_cpp(self, statement):
-        """
+        """
         Converts the expression object into a C++ expression string.
         Raises a SyntaxError if conversion to a C++ string is impossible.
 
@@ -417,7 +419,7 @@ 
Source code for spatialpy.solvers.build_expression
[docs]class ExpressionResults:
-    """
+    """
     Container struct for returning the results of expression validation.
     Any expression items which indicate an invalid expression are listed on an ExpressionResults instance.
     Empty lists indicate that the expression is valid.
@@ -434,20 +436,20 @@ 
Source code for spatialpy.solvers.build_expression
    If not set, then the validity of the expression is inferred by the `invalid_*` lists provided.
     :type is_valid: bool
     """
-    def __init__(self, invalid_names=None, invalid_operators=None, is_valid=True):
+    def __init__(self, invalid_names=None, invalid_operators=None, is_valid=True):
         self.invalid_names = invalid_names
         self.invalid_operators = invalid_operators
         self.is_valid = is_valid and (not invalid_names and not invalid_operators)

 
 
 
[docs]class ExpressionConverter(ast.NodeVisitor):
-    """
+    """
     A subclass of ast.NodeVisitor used to convert spatialpy expresions.
 
     :param tree: An abstract syntax tree.
     :type tree: ast.AST
     """
-    def __init__(self, tree):
+    def __init__(self, tree):
         self.tree = tree
         self.expression = []
 
@@ -457,7 +459,7 @@ 
Source code for spatialpy.solvers.build_expression
[docs]    @classmethod
     def convert_str(cls, expression):
-        """
+        """
         Convert '^' to python pow operator.
 
         :param expression: BuildExpression to be converted.
@@ -466,37 +468,37 @@ 
Source code for spatialpy.solvers.build_expression
return expression.replace("^", "**")

 
 
[docs]    def parse_operator(self, operator):
-        """
+        """
         Create a new mathematical expression from the given operator and the last two expressions in self.expression.
 
         :param operator: Target operator for the new expression.
         :type operator: str
         """
-        expr = f"({self.expression.pop()}{operator}{self.expression.pop()})"
+        expr = f"({self.expression.pop()}{operator}{self.expression.pop()})"
         self.expression.append(expr)

 
 
[docs]    def parse_logical(self, operator):
-        """
+        """
         Create a new logical expression from the given operator and the last two expressions in self.expression.
 
         :param operator: Target operator for the new expression.
         :type operator: str
         """
-        expr = f"{self.expression.pop()} {operator} {self.expression.pop()}"
+        expr = f"{self.expression.pop()} {operator} {self.expression.pop()}"
         self.expression.append(expr)

 
 
[docs]    def parse_comparison(self, comparator):
-        """
+        """
         Create a new comparison expression from the given operator and the last two expressions in self.expression.
 
         :param operator: Target operator for the new expression.
         :type operator: str
         """
-        expr = f"{self.expression.pop()} {comparator} {self.expression.pop()}"
+        expr = f"{self.expression.pop()} {comparator} {self.expression.pop()}"
         self.expression.append(expr)

 
 
[docs]    def visit_Name(self, node): # pylint: disable=invalid-name
-        """
+        """
         Visitor function for ast.Name nodes.
 
         :param node: A node of type 'Name' from an AST.
@@ -506,7 +508,7 @@ 
Source code for spatialpy.solvers.build_expression
self.generic_visit(node)

 
 
[docs]    def visit_Constant(self, node): # pylint: disable=invalid-name
-        """
+        """
         Visitor function for ast.Constant nodes.
 
         :param node: A node of type 'Constant' from an AST.
@@ -520,7 +522,7 @@ 
Source code for spatialpy.solvers.build_expression
### They are included for compatibility with 3.7 and earlier.           ###
     ### If <=3.7 becomes unsupported, please remove these visitor methods.  ###
 
[docs]    def visit_Num(self, node): # pylint: disable=invalid-name
-        """
+        """
         Visitor function for ast.Num nodes.
 
         :param node: A node of type 'Num' from an AST.
@@ -530,7 +532,7 @@ 
Source code for spatialpy.solvers.build_expression
self.generic_visit(node)

 
 
[docs]    def visit_Str(self, node): # pylint: disable=invalid-name
-        """
+        """
         Visitor function for ast.Str nodes.
 
         :param node: A node of type 'Str' from an AST.
@@ -540,7 +542,7 @@ 
Source code for spatialpy.solvers.build_expression
self.generic_visit(node)

 
 
[docs]    def visit_Bytes(self, node): # pylint: disable=invalid-name
-        """
+        """
         Visitor function for ast.Bytes nodes.
 
         :param node: A node of type 'Bytes' from an AST.
@@ -550,7 +552,7 @@ 
Source code for spatialpy.solvers.build_expression
self.generic_visit(node)

 
 
[docs]    def visit_NameConstant(self, node): # pylint: disable=invalid-name
-        """
+        """
         Visitor function for ast.NameConstant nodes.
 
         :param node: A node of type 'NameConstant' from an AST.
@@ -560,7 +562,7 @@ 
Source code for spatialpy.solvers.build_expression
self.generic_visit(node)

 
 
[docs]    def visit_Ellipsis(self, node): # pylint: disable=invalid-name
-        """
+        """
         Visitor function for ast.Ellipsis nodes.
 
         :param node: A node of type 'Ellipsis' from an AST.
@@ -572,7 +574,7 @@ 
Source code for spatialpy.solvers.build_expression
###########################################################################
 
 
[docs]    def visit_BinOp(self, node): # pylint: disable=invalid-name
-        """
+        """
         Visitor function for ast.BinOp nodes. Right node is visited first.
         By visiting the left node last, the most recently appended token is always the left-hand token.
         This allows us to always append when adding to the expression, and always pop when processing it.
@@ -585,7 +587,7 @@ 
Source code for spatialpy.solvers.build_expression
self.visit(node.op)

 
 
[docs]    def visit_Call(self, node): # pylint: disable=invalid-name
-        """
+        """
         Visitor function for ast.Call nodes.
 
         :param node: A node of type 'Call' from an AST.
@@ -596,11 +598,11 @@ 
Source code for spatialpy.solvers.build_expression
self.visit(arg)
             arg_list.append(self.expression.pop())
         arg_list = ",".join(arg_list)
-        expr = f"{node.func.id}({arg_list})"
+        expr = f"{node.func.id}({arg_list})"
         self.expression.append(expr)

 
 
[docs]    def visit_BoolOp(self, node): # pylint: disable=invalid-name
-        """
+        """
         Visitor function for ast.BoolOp nodes.
         Base converter class assumes that "And" and "Or" operations are defined by inheriting class.
         Implement visit_And() and visit_Or() to define behavior.
@@ -616,7 +618,7 @@ 
Source code for spatialpy.solvers.build_expression
self.visit(node.op)

 
 
[docs]    def visit_Add(self, node): # pylint: disable=invalid-name
-        """
+        """
         Visitor function for ast.Add nodes.
 
         :param node: A node of type 'Add' from an AST.
@@ -626,7 +628,7 @@ 
Source code for spatialpy.solvers.build_expression
self.parse_operator("+")

 
 
[docs]    def visit_Sub(self, node): # pylint: disable=invalid-name
-        """
+        """
         Visitor function for ast.Sub nodes.
 
         :param node: A node of type 'Sub' from an AST.
@@ -636,7 +638,7 @@ 
Source code for spatialpy.solvers.build_expression
self.parse_operator("-")

 
 
[docs]    def visit_Mult(self, node): # pylint: disable=invalid-name
-        """
+        """
         Visitor function for ast.Mult nodes.
 
         :param node: A node of type 'Mult' from an AST.
@@ -646,7 +648,7 @@ 
Source code for spatialpy.solvers.build_expression
self.parse_operator("*")

 
 
[docs]    def visit_Div(self, node): # pylint: disable=invalid-name
-        """
+        """
         Visitor function for ast.Div nodes.
 
         :param node: A node of type 'Div' from an AST.
@@ -656,7 +658,7 @@ 
Source code for spatialpy.solvers.build_expression
self.parse_operator("/")

 
 
[docs]    def visit_Pow(self, node): # pylint: disable=invalid-name
-        """
+        """
         Visitor function for ast.Pow nodes.
 
         :param node: A node of type 'Pow' from an AST.
@@ -666,7 +668,7 @@ 
Source code for spatialpy.solvers.build_expression
self.parse_operator("**")

 
 
[docs]    def visit_Compare(self, node): # pylint: disable=invalid-name
-        """
+        """
         Visitor function for ast.Compare nodes.
 
         :param node: A node of type 'Compare' from an AST.
@@ -679,7 +681,7 @@ 
Source code for spatialpy.solvers.build_expression
self.visit(operator)

 
 
[docs]    def visit_Eq(self, node): # pylint: disable=invalid-name
-        """
+        """
         Visitor function for ast.Eq nodes.
 
         :param node: A node of type 'Eq' from an AST.
@@ -689,7 +691,7 @@ 
Source code for spatialpy.solvers.build_expression
self.parse_comparison("==")

 
 
[docs]    def visit_NotEq(self, node): # pylint: disable=invalid-name
-        """
+        """
         Visitor function for ast.NotEq nodes.
 
         :param node: A node of type 'NotEq' from an AST.
@@ -699,7 +701,7 @@ 
Source code for spatialpy.solvers.build_expression
self.parse_comparison("!=")

 
 
[docs]    def visit_Lt(self, node): # pylint: disable=invalid-name
-        """
+        """
         Visitor function for ast.Lt nodes.
 
         :param node: A node of type 'Lt' from an AST.
@@ -709,7 +711,7 @@ 
Source code for spatialpy.solvers.build_expression
self.parse_comparison("<")

 
 
[docs]    def visit_LtE(self, node): # pylint: disable=invalid-name
-        """
+        """
         Visitor function for ast.LtE nodes.
 
         :param node: A node of type 'LtE' from an AST.
@@ -719,7 +721,7 @@ 
Source code for spatialpy.solvers.build_expression
self.parse_comparison("<=")

 
 
[docs]    def visit_Gt(self, node): # pylint: disable=invalid-name
-        """
+        """
         Visitor function for ast.Gt nodes.
 
         :param node: A node of type 'Gt' from an AST.
@@ -729,7 +731,7 @@ 
Source code for spatialpy.solvers.build_expression
self.parse_comparison(">")

 
 
[docs]    def visit_GtE(self, node): # pylint: disable=invalid-name
-        """
+        """
         Visitor function for ast.GtE nodes.
 
         :param node: A node of type 'GtE' from an AST.
@@ -739,7 +741,7 @@ 
Source code for spatialpy.solvers.build_expression
self.parse_comparison(">=")

 
 
[docs]    def visit_UnaryOp(self, node): # pylint: disable=invalid-name
-        """
+        """
         Visitor function for ast.UnaryOp nodes.
 
         :param node: A node of type 'UnaryOp' from an AST.
@@ -749,16 +751,16 @@ 
Source code for spatialpy.solvers.build_expression
self.visit(node.op)

 
 
[docs]    def visit_USub(self, node): # pylint: disable=invalid-name
-        """
+        """
         Visitor function for ast.USub nodes.
 
         :param node: A node of type 'USub' from an AST.
         :type node: ast.USub
         """
-        self.expression.append(f"-{self.expression.pop()}")

+        self.expression.append(f"-{self.expression.pop()}")

 
 
[docs]    def get_str(self):
-        """
+        """
         Get the string representation of the expression.
 
         :returns: The string expression of self.tree.
@@ -767,11 +769,11 @@ 
Source code for spatialpy.solvers.build_expression
return self._get_str(self.tree)

 
 
[docs]class PythonConverter(ExpressionConverter):
-    """
+    """
     Converts an ast.AST to a Python expression string.
     """
 
[docs]    def visit_And(self, node): # pylint: disable=invalid-name
-        """
+        """
         Visitor function for ast.And nodes.
 
         :param node: A node of type 'And' from an AST.
@@ -780,7 +782,7 @@ 
Source code for spatialpy.solvers.build_expression
self.parse_logical("and")

 
 
[docs]    def visit_Or(self, node): # pylint: disable=invalid-name
-        """
+        """
         Visitor function for ast.Or nodes.
 
         :param node: A node of type 'Or' from an AST.
@@ -789,15 +791,15 @@ 
Source code for spatialpy.solvers.build_expression
self.parse_logical("or")

 
 
[docs]class CppConverter(ExpressionConverter):
-    """
+    """
     Converts an ast.AST to a C++ expression string.
     """
 
[docs]    class CppExpressionTransformer(ast.NodeTransformer):
-        """
+        """
         A subclass of ast.NodeTransformer used to convert ast.AST expresions to C++ expressions.
         """
 
[docs]        def visit_BinOp(self, node: "ast.BinOp"): # pylint: disable=invalid-name
-            """
+            """
             Visitor function for ast.BinOp nodes.
 
             :param node: A node of type 'BinOp' from an AST.
@@ -816,7 +818,7 @@ 
Source code for spatialpy.solvers.build_expression
return node

 
 
[docs]    def visit_And(self, node): # pylint: disable=invalid-name
-        """
+        """
         Visitor function for ast.And nodes.
 
         :param node: A node of type 'And' from an AST.
@@ -826,7 +828,7 @@ 
Source code for spatialpy.solvers.build_expression
self.parse_logical("&&")

 
 
[docs]    def visit_Or(self, node): # pylint: disable=invalid-name
-        """
+        """
         Visitor function for ast.Or nodes.
 
         :param node: A node of type 'Or' from an AST.
@@ -836,7 +838,7 @@ 
Source code for spatialpy.solvers.build_expression
self.parse_logical("||")

 
 
[docs]    def get_str(self):
-        """
+        """
         Get the string representation of the expression.
 
         :returns: The string expression of super().tree.
@@ -863,7 +865,7 @@ 
Source code for spatialpy.solvers.build_expression
Sphinx 4.4.0
+      Powered by Sphinx 5.3.0
       & Alabaster 0.7.12
       
     

diff --git a/docs/build/html/_modules/spatialpy/solvers/solver.html b/docs/build/html/_modules/spatialpy/solvers/solver.html
index d8df2f0b..6fdbddd1 100644
--- a/docs/build/html/_modules/spatialpy/solvers/solver.html
+++ b/docs/build/html/_modules/spatialpy/solvers/solver.html
@@ -5,14 +5,16 @@
   
     
     
-    spatialpy.solvers.solver — SpatialPy 1.1.0 documentation
+    spatialpy.solvers.solver — SpatialPy 1.1.3 documentation
     
     
     
     
     
     
+    
     
+    
     
     
    
@@ -73,7 +75,7 @@ 
Quick search

     
     

 

-
+
 
 
 
@@ -119,7 +121,7 @@ 
Source code for spatialpy.solvers.solver
 
 import numpy
 
-from spatialpy.core.spatialpyerror import ModelError, SimulationError, SimulationTimeout
+from spatialpy.core.spatialpyerror import ModelError, SimulationError, SimulationTimeout
 
 def _read_from_stdout(stdout ,verbose=True):
     try:
@@ -132,11 +134,11 @@ 
Source code for spatialpy.solvers.solver
                 #got empty line, ending
                 return
     except Exception as err:
-        print(f"_read_from_stdout(): {err}")
+        print(f"_read_from_stdout(): {err}")
 
 
 
[docs]class Solver:
-    """
+    """
     SpatialPy solver object.
 
     :param model: Target model of solver simulation.
@@ -145,8 +147,8 @@ 
Source code for spatialpy.solvers.solver
     :param debug_level: Target level of debugging.
     :type debug_level: int
     """
-    def __init__(self, model, debug_level=0):
-        from spatialpy.core.model import Model # pylint: disable=import-outside-toplevel
+    def __init__(self, model, debug_level=0):
+        from spatialpy.core.model import Model # pylint: disable=import-outside-toplevel
         if not (isinstance(model, Model) or type(model).__name__ == 'Model'):
             raise SimulationError("Model must be of type spatialpy.Model.")
         if not issubclass(self.__class__, Solver):
@@ -179,13 +181,13 @@ 
Source code for spatialpy.solvers.solver
         self.debugger_url = None
         self.debugger_process = None
 
-    def __del__(self):
+    def __del__(self):
         try:
             if self.build_dir is not None:
                 try:
                     shutil.rmtree(self.build_dir, ignore_errors=True)
                 except OSError:
-                    print(f"Could not delete '{self.build_dir}'")
+                    print(f"Could not delete '{self.build_dir}'")
         except Exception:
             pass
 
@@ -259,25 +261,25 @@ 
Source code for spatialpy.solvers.solver
             func = funheader.replace("__NAME__", rname)
             func += "\n{\n"
             if reac.restrict_to is None or (isinstance(reac.restrict_to, list) and len(reac.restrict_to) == 0):
-                func += f"return {ode_propensity_function};"
+                func += f"return {ode_propensity_function};"
             else:
                 func += "if("
                 if isinstance(reac.restrict_to, list) and len(reac.restrict_to) > 0:
                     conds = []
                     for type_id in reac.restrict_to:
-                        conds.append(f"sd == {type_id}")
+                        conds.append(f"sd == {type_id}")
                     func += "||".join(conds)
                 else:
                     errmsg = "When restricting reaction to types, you must specify either a list or an int"
                     raise SimulationError(errmsg)
                 func += "){\n"
-                func += f"return {ode_propensity_function};"
+                func += f"return {ode_propensity_function};"
                 func += "\n}else{"
                 func += "\n\treturn 0.0;}"
 
             func += "\n}"
-            deterministic_chem_rxn_functions += f"{func}\n\n"
-            deterministic_chem_rxn_function_init += f"    ptr[{i}] = (ChemRxnFun) det{rname};\n"
+            deterministic_chem_rxn_functions += f"{func}\n\n"
+            deterministic_chem_rxn_function_init += f"    ptr[{i}] = (ChemRxnFun) det{rname};\n"
 
         return deterministic_chem_rxn_functions, deterministic_chem_rxn_function_init
 
@@ -285,12 +287,12 @@ 
Source code for spatialpy.solvers.solver
         data_fn_assign = ""
         if len(self.model.listOfSpecies) > 0:
             for ndf, _ in enumerate(self.model.listOfDataFunctions):
-                data_fn_assign += f"this_particle->data_fn[{ndf}] = input_data_fn[{ndf}*{ncells}+id];"
+                data_fn_assign += f"this_particle->data_fn[{ndf}] = input_data_fn[{ndf}*{ncells}+id];"
 
         return data_fn_assign
 
     def __get_input_constant(self, header, data, to_int=False):
-        outstr = f"{header}[{len(data)}] = "
+        outstr = f"{header}[{len(data)}] = "
         outstr += "{"
         outstr += ",".join([str(int(val) if to_int else val) for val in data])
         outstr += "};\n"
@@ -300,7 +302,7 @@ 
Source code for spatialpy.solvers.solver
     def __get_input_constants(self, nspecies, ncells, stoich_matrix, dep_graph):
         input_constants = ""
 
-        outstr = f"unsigned int input_u0[{nspecies * ncells}] = "
+        outstr = f"unsigned int input_u0[{nspecies * ncells}] = "
         outstr += "{"
         if len(self.model.listOfSpecies) > 0:
             for i in range(ncells):
@@ -314,13 +316,13 @@ 
Source code for spatialpy.solvers.solver
         if len(self.model.listOfSpecies) > 0:
             if min(stoich_matrix.shape) > 0:
                 dense_matrix = stoich_matrix.todense() # this will not work if Nrxn or Nspecies is zero
-                outstr = f"static int input_N_dense[{dense_matrix.shape[0] * dense_matrix.shape[1]}] = "
+                outstr = f"static int input_N_dense[{dense_matrix.shape[0] * dense_matrix.shape[1]}] = "
                 outstr += "{"
                 for i in range(dense_matrix.shape[0]):
                     for j in range(dense_matrix.shape[1]):
                         if j + i > 0:
                             outstr += ','
-                        outstr += f"{int(dense_matrix[i, j])}"
+                        outstr += f"{int(dense_matrix[i, j])}"
                 outstr += "};\n"
                 input_constants += outstr
 
@@ -329,7 +331,7 @@ 
Source code for spatialpy.solvers.solver
                 input_constants += self.__get_input_constant("static int input_prN", stoich_matrix.data, to_int=True)
 
                 if len(self.model.listOfDataFunctions) > 0:
-                    outstr = f"static double input_data_fn[{len(self.model.listOfDataFunctions) * ncells}] = "
+                    outstr = f"static double input_data_fn[{len(self.model.listOfDataFunctions) * ncells}] = "
                     outstr += "{"
                     coords = self.model.domain.coordinates()
                     for ndf, data_fn in enumerate(self.model.listOfDataFunctions.values()):
@@ -350,15 +352,15 @@ 
Source code for spatialpy.solvers.solver
 
         if len(self.model.listOfSpecies) > 0:
             outstr = "const char* const input_species_names[] = {"
-            outstr += ",".join(f'"{sname}"' for sname in self.model.listOfSpecies)
+            outstr += ",".join(f'"{sname}"' for sname in self.model.listOfSpecies)
             outstr += ", 0};\n"
             input_constants += outstr
 
         num_types = len(self.model.domain.listOfTypeIDs)
-        outstr = f"const int input_num_subdomain = {num_types-1};\n" # the backend ignores type_id=0 (a.k.a. unassigned)
+        outstr = f"const int input_num_subdomain = {num_types-1};\n" # the backend ignores type_id=0 (a.k.a. unassigned)
         input_constants += outstr
 
-        outstr = f"const double input_subdomain_diffusion_matrix[{len(self.model.listOfSpecies) * (num_types-1)}] = "
+        outstr = f"const double input_subdomain_diffusion_matrix[{len(self.model.listOfSpecies) * (num_types-1)}] = "
         outvec = []
         for i, species in enumerate(self.model.listOfSpecies.values()):
             for j, type_id in enumerate(self.model.domain.typeNdxMapping.keys()):
@@ -366,13 +368,13 @@ 
Source code for spatialpy.solvers.solver
                 try:
                     if species not in self.model.listOfDiffusionRestrictions or \
                        type_id in self.model.listOfDiffusionRestrictions[species]:
-                        outvec.append(f"{species.diffusion_coefficient}")
+                        outvec.append(f"{species.diffusion_coefficient}")
                     else:
                         outvec.append("0.0")
                 except KeyError as err:
-                    print(f"error: {err}")
+                    print(f"error: {err}")
                     print(self.model.listOfDiffusionRestrictions)
-                    raise SimulationError(f"error: {self.model.listOfDiffusionRestrictions}") from err
+                    raise SimulationError(f"error: {self.model.listOfDiffusionRestrictions}") from err
 
         outstr += "{"+",".join(outvec)+"};\n"
         input_constants += outstr
@@ -383,7 +385,7 @@ 
Source code for spatialpy.solvers.solver
         output_step = "unsigned int get_next_output(ParticleSystem* system)\n{\n"
         output_step += "static int index = 0;\n"
         output_step += "const std::vector<unsigned int> output_steps = {"
-        output_step += f"{', '.join(self.model.tspan.output_steps.astype(str).tolist())}"
+        output_step += f"{', '.join(self.model.tspan.output_steps.astype(str).tolist())}"
         output_step += "};\nunsigned int next_step = output_steps[index];\n"
         output_step += "index++;\n"
         output_step += "return next_step;\n}\n"
@@ -395,10 +397,10 @@ 
Source code for spatialpy.solvers.solver
         parameters = ""
         for pname in self.model.listOfParameters:
             param = sanitized_parameters[pname]
-            parameters += f"const double {param} = {self.model.listOfParameters[pname].value};\n"
+            parameters += f"const double {param} = {self.model.listOfParameters[pname].value};\n"
 
         for name, ndx in self.model.domain.typeNdxMapping.items():
-            parameters += f"const size_t {name} = {ndx};\n"
+            parameters += f"const size_t {name} = {ndx};\n"
         return parameters
 
     def __get_particle_inits(self, num_chem_species):
@@ -418,7 +420,7 @@ 
Source code for spatialpy.solvers.solver
             rho = self.model.domain.rho[i]
             fixed = int(self.model.domain.fixed[i])
             init_particles += "init_create_particle(sys,id++,"
-            init_particles += f"{x},{y},{z},{type_id},{nu},{mass},{c},{rho},{fixed},{num_chem_species});\n"
+            init_particles += f"{x},{y},{z},{type_id},{nu},{mass},{c},{rho},{fixed},{num_chem_species});\n"
 
         return init_particles
 
@@ -443,34 +445,34 @@ 
Source code for spatialpy.solvers.solver
             func = funheader.replace("__NAME__", rname)
             func +=  "\n{\n"
             if reac.restrict_to is None or (isinstance(reac.restrict_to, list) and len(reac.restrict_to) == 0):
-                func += f"return {propensity_function};"
+                func += f"return {propensity_function};"
             else:
                 func += "if("
                 if isinstance(reac.restrict_to, list) and len(reac.restrict_to) > 0:
                     conds = []
                     for type_id in reac.restrict_to:
-                        conds.append(f"sd == {type_id}")
+                        conds.append(f"sd == {type_id}")
                     func += "||".join(conds)
                 else:
                     errmsg = "When restricting reaction to types, you must specify either a list or an int"
                     raise SimulationError(errmsg)
                 func += "){\n"
-                func += f"return {propensity_function};"
+                func += f"return {propensity_function};"
                 func += "\n}else{"
                 func += "\n\treturn 0.0;}"
             func += "\n}"
-            funcs += f"{func}\n\n"
-            funcinits += f"    ptr[{i}] = (PropensityFun) {rname};\n"
+            funcs += f"{func}\n\n"
+            funcinits += f"    ptr[{i}] = (PropensityFun) {rname};\n"
 
         return funcs, funcinits
 
     def __get_system_config(self, num_types, num_chem_species, num_chem_rxns,
                             num_stoch_species, num_stoch_rxns, num_data_fn):
-        system_config = f"debug_flag = {self.debug_level};\n"
+        system_config = f"debug_flag = {self.debug_level};\n"
         system_config += "ParticleSystem *system = new ParticleSystem("
-        system_config += f"{num_types-1},{num_chem_species},{num_chem_rxns},"
-        system_config += f"{num_stoch_species},{num_stoch_rxns},{num_data_fn});\n"
-        system_config += f"system->static_domain = {int(self.model.staticDomain)};\n"
+        system_config += f"{num_types-1},{num_chem_species},{num_chem_rxns},"
+        system_config += f"{num_stoch_species},{num_stoch_rxns},{num_data_fn});\n"
+        system_config += f"system->static_domain = {int(self.model.staticDomain)};\n"
         if len(self.model.listOfSpecies) > 0:
             system_config += "system->subdomain_diffusion_matrix = input_subdomain_diffusion_matrix;\n"
             system_config += "system->stoichiometric_matrix = input_N_dense;\n"
@@ -478,23 +480,23 @@ 
Source code for spatialpy.solvers.solver
             system_config += "system->stoch_rxn_propensity_functions = ALLOC_propensities();\n"
             system_config += "system->species_names = input_species_names;\n"
 
-        system_config += f"system->dt = {self.model.tspan.timestep_size};\n"
-        system_config += f"system->nt = {self.model.tspan.num_timesteps};\n"
+        system_config += f"system->dt = {self.model.tspan.timestep_size};\n"
+        system_config += f"system->nt = {self.model.tspan.num_timesteps};\n"
         if self.h is None:
             self.h = self.model.domain.find_h()
         if self.h == 0.0:
             raise ModelError('h (basis function width) can not be zero.')
-        system_config += f"system->h = {self.h};\n"
-        system_config += f"system->rho0 = {self.model.domain.rho0};\n"
-        system_config += f"system->c0 = {self.model.domain.c0};\n"
-        system_config += f"system->P0 = {self.model.domain.P0};\n"
+        system_config += f"system->h = {self.h};\n"
+        system_config += f"system->rho0 = {self.model.domain.rho0};\n"
+        system_config += f"system->c0 = {self.model.domain.c0};\n"
+        system_config += f"system->P0 = {self.model.domain.P0};\n"
         #// bounding box
-        system_config += f"system->xlo = {self.model.domain.xlim[0]};\n"
-        system_config += f"system->xhi = {self.model.domain.xlim[1]};\n"
-        system_config += f"system->ylo = {self.model.domain.ylim[0]};\n"
-        system_config += f"system->yhi = {self.model.domain.ylim[1]};\n"
-        system_config += f"system->zlo = {self.model.domain.zlim[0]};\n"
-        system_config += f"system->zhi = {self.model.domain.zlim[1]};\n"
+        system_config += f"system->xlo = {self.model.domain.xlim[0]};\n"
+        system_config += f"system->xhi = {self.model.domain.xlim[1]};\n"
+        system_config += f"system->ylo = {self.model.domain.ylim[0]};\n"
+        system_config += f"system->yhi = {self.model.domain.ylim[1]};\n"
+        system_config += f"system->zlo = {self.model.domain.zlim[0]};\n"
+        system_config += f"system->zhi = {self.model.domain.zlim[1]};\n"
 
         if not numpy.count_nonzero(self.model.domain.vertices[:,1]):
             self.model.domain.dimensions = 1
@@ -502,23 +504,23 @@ 
Source code for spatialpy.solvers.solver
             self.model.domain.dimensions = 2
         else:
             self.model.domain.dimensions = 3
-        system_config += f"system->dimension = {self.model.domain.dimensions};\n"
+        system_config += f"system->dimension = {self.model.domain.dimensions};\n"
 
         if self.model.domain.gravity is not None:
             for i, val in enumerate(self.model.domain.gravity):
-                system_config += f"system->gravity[{i}] = {val};\n"
+                system_config += f"system->gravity[{i}] = {val};\n"
 
         return system_config
 
     def __read_profile_info(self, result):
         profile_data_path = os.path.join(result.result_dir, 'gmon.out')
         exe_path = os.path.join(self.build_dir, self.executable_name)
-        cmd = f'gprof {exe_path} {profile_data_path}'
+        cmd = f'gprof {exe_path} {profile_data_path}'
         print(cmd)
         with subprocess.Popen(cmd, shell=True, stdout=subprocess.PIPE) as proc:
             stdout, _ = proc.communicate()
             proc.wait()
-            print(f'Gprof report for {result.result_dir}')
+            print(f'Gprof report for {result.result_dir}')
             print(stdout.decode('utf-8'))
 
     def __run_debugger(self):
@@ -526,14 +528,14 @@ 
Source code for spatialpy.solvers.solver
         if not hasattr(self, 'debugger_process'):
             with subprocess.Popen('gdbgui -r', shell=True) as debugger_process:
                 self.debugger_process = debugger_process
-        print(f'Your debugger is running at {self.debugger_url}')
+        print(f'Your debugger is running at {self.debugger_url}')
 
     def __write_prop_file(self, file_name, propfilestr):
         with open(file_name, "w", encoding="utf-8") as propfile:
             propfile.write(propfilestr)
 
 
[docs]    def compile(self, debug=False, profile=False):
-        """
+        """
         Compile the model.
 
         :param debug: If True, will print additional build debugging
@@ -552,55 +554,64 @@ 
Source code for spatialpy.solvers.solver
         # Write the propensity file
         # Match except word characters \w = ([a-zA-Z0-9_]) and \_ = _ replace with ''
         propfilename = re.sub(r'[^\w\_]', '', self.model_name)
-        self.propfilename = f"{propfilename}_generated_model"
-        self.prop_file_name = os.path.join(self.build_dir, f'{self.propfilename}.c')
+        self.propfilename = f"{propfilename}_generated_model"
+        self.prop_file_name = os.path.join(self.build_dir, f'{self.propfilename}.c')
 
         if self.debug_level >= 1:
-            print(f"Compiling Solver.  Build dir: {self.build_dir}")
+            print(f"Compiling Solver.  Build dir: {self.build_dir}")
 
         if self.debug_level >= 1:
-            print(f"Creating propensity file {self.prop_file_name}")
+            print(f"Creating propensity file {self.prop_file_name}")
         self.__create_propensity_file(stoich_matrix, dep_graph, file_name=self.prop_file_name)
 
         # Build the solver
+        for make_exe_location in ["make", "mingw32-make"]:
+            make_exe = shutil.which("make")
+            if make_exe is not None:
+                break
+        if make_exe is None:
+            raise SimulationError("Make executable could not be found")
         makefile = self.spatialpy_rootdir+'/build/Makefile'
         makefile_ann = self.spatialpy_rootdir+'/external/ANN/src/Makefile.spatialpy'
-        cmd_list = ['cd', self.core_dir, '&&',
-            'make', '-f' , makefile_ann, 
-            'ROOTINC="' + self.spatialpy_rootinc+'"',
-            '&&',
-            'make', 'CORE', '-f',  makefile,
-            'ROOT="' + self.spatialpy_rootparam+'"',
-            'ROOTINC="' + self.spatialpy_rootinc+'"',
-            'BUILD='+self.core_dir, '&&'
-            'cd', self.build_dir, '&&', 'make', '-I', self.core_dir, '-f', makefile,
-            'ROOT="' + self.spatialpy_rootparam+'"',
-            'ROOTINC="' + self.spatialpy_rootinc+'"',
-            'COREDIR="' + self.core_dir + '"',
-            'MODEL=' + self.prop_file_name, 'BUILD='+self.build_dir]
+
+        cmd_ann = [
+            make_exe, '-d', '-C', self.core_dir, '-f', makefile_ann,
+            f'ROOTINC={self.spatialpy_rootinc}',
+        ]
+        cmd_core = [
+            make_exe, '-d', '-C', self.core_dir, 'CORE', '-f',  makefile,
+            f'ROOT={self.spatialpy_rootparam}',
+            f'ROOTINC={self.spatialpy_rootinc}',
+            f'BUILD={self.core_dir}',
+        ]
+        cmd_build = [
+            make_exe, '-d', '-C', self.build_dir, '-I', self.core_dir, '-f', makefile,
+            'ROOT=' + self.spatialpy_rootparam,
+            'ROOTINC=' + self.spatialpy_rootinc,
+            'COREDIR=' + self.core_dir,
+            'MODEL=' + self.prop_file_name, 'BUILD='+self.build_dir
+        ]
         if profile:
-            cmd_list.append('GPROFFLAG=-pg')
+            cmd_build.append('GPROFFLAG=-pg')
         if profile or debug:
-            cmd_list.append('GDB_FLAG=-g')
-        cmd = " ".join(cmd_list)
+            cmd_build.append('GDB_FLAG=-g')
         if self.debug_level > 1:
-            print(f"cmd: {cmd}\n")
+            cmd = " && ".join([*cmd_ann, *cmd_core, *cmd_build])
+            print(f"cmd: {cmd}\n")
         try:
-            with subprocess.Popen(cmd, stdout=subprocess.PIPE, stderr=subprocess.STDOUT, shell=True) as handle:
-                stdout, _ = handle.communicate()
-                return_code = handle.wait()
-                if return_code != 0:
-                    try:
-                        print(stdout.decode("utf-8"))
-                    except Exception:
-                        pass
-                    raise SimulationError(f"Compilation of solver failed, return_code={return_code}")
-
+            for cmd_target in [cmd_ann, cmd_core, cmd_build]:
+                result = subprocess.check_output(cmd_target, stderr=subprocess.STDOUT)
                 if self.debug_level > 1:
-                    print(stdout.decode("utf-8"))
+                    print(result.stdout.decode("utf-8"))
+        except subprocess.CalledProcessError as err:
+            try:
+                print(err.stdout.decode("utf-8"))
+            except Exception:
+                pass
+            raise SimulationError(f"Compilation of solver failed, return_code={result.return_code}")
         except OSError as err:
-            print(f"Error, execution of compilation raised an exception: {err}")
-            print(f"cmd = {cmd}")
+            print(f"Error, execution of compilation raised an exception: {err}")
+            print(f"cmd = {cmd}")
             raise SimulationError("Compilation of solver failed") from err
 
         self.is_compiled = True

@@ -608,7 +619,7 @@ 
Source code for spatialpy.solvers.solver
 
 
[docs]    def run(self, number_of_trajectories=1, seed=None, timeout=None,
                 number_of_threads=None, debug=False, profile=False, verbose=True):
-        """
+        """
         Run one simulation of the model.
 
         :param number_of_trajectories: How many trajectories should be simulated.
@@ -638,7 +649,7 @@ 
Source code for spatialpy.solvers.solver
         :raises SimulationTimeout: Simulation exceeded timeout.
         :raises SimulationError: Simulation execution failed.
         """
-        from spatialpy.core.result import Result # pylint: disable=import-outside-toplevel
+        from spatialpy.core.result import Result # pylint: disable=import-outside-toplevel
         if number_of_trajectories > 1:
             result_list = []
         # Check if compiled, call compile() if not.
@@ -651,8 +662,8 @@ 
Source code for spatialpy.solvers.solver
                 prefix='spatialpy_result_', dir=os.environ.get('SPATIALPY_TMPDIR'))
             result = Result(self.model, outfile)
             if self.debug_level >= 1:
-                print(f"Running simulation. Result dir: {outfile}")
-            solver_cmd = f'cd {outfile};{os.path.join(self.build_dir, self.executable_name)}'
+                print(f"Running simulation. Result dir: {outfile}")
+            solver_cmd = os.path.join(self.build_dir, self.executable_name)
 
             if number_of_threads is not None:
                 solver_cmd += " -t " + str(number_of_threads)
@@ -661,12 +672,12 @@ 
Source code for spatialpy.solvers.solver
                 solver_cmd += " -s "+str(seed+run_ndx)
 
             if self.debug_level >= 1:
-                print(f'cmd: {solver_cmd}')
+                print(f'cmd: {solver_cmd}')
 
             start = time.monotonic()
             return_code = None
             try:
-                with subprocess.Popen(solver_cmd, shell=True,
+                with subprocess.Popen(solver_cmd, cwd=outfile, shell=True,
                         stdout=subprocess.PIPE, stderr=subprocess.STDOUT,
                         start_new_session=True) as process:
                     try:
@@ -688,15 +699,15 @@ 
Source code for spatialpy.solvers.solver
                         os.killpg(process.pid, signal.SIGINT)
                         raise SimulationTimeout("SpatialPy solver timeout exceded.") from err
             except OSError as err:
-                print(f"Error, execution of solver raised an exception: {err}")
-                print(f"cmd = {solver_cmd}")
+                print(f"Error, execution of solver raised an exception: {err}")
+                print(f"cmd = {solver_cmd}")
 
             if self.debug_level >= 1:  # output time
                 print('Elapsed seconds: {:.2f}'.format(time.monotonic() - start))
 
             if return_code is not None and return_code != 0:
-                print(f"solver_cmd = {solver_cmd}")
-                raise SimulationError(f"Solver execution failed, return code = {return_code}")
+                print(f"solver_cmd = {solver_cmd}")
+                raise SimulationError(f"Solver execution failed, return code = {return_code}")
 
             result.success = True
             if profile:
@@ -726,7 +737,7 @@ 
Source code for spatialpy.solvers.solver
       ©Copyright (C) 2019-2022.
       
       |
-      Powered by Sphinx 4.4.0
+      Powered by Sphinx 5.3.0
       & Alabaster 0.7.12
       
     

diff --git a/docs/build/html/_modules/spatialpy/stochss/stochss_export.html b/docs/build/html/_modules/spatialpy/stochss/stochss_export.html
index ed2610e3..e0a09da4 100644
--- a/docs/build/html/_modules/spatialpy/stochss/stochss_export.html
+++ b/docs/build/html/_modules/spatialpy/stochss/stochss_export.html
@@ -5,14 +5,16 @@
   
     
     
-    spatialpy.stochss.stochss_export — SpatialPy 1.1.0 documentation
+    spatialpy.stochss.stochss_export — SpatialPy 1.1.3 documentation
     
     
     
     
     
     
+    
     
+    
     
     
    
@@ -73,7 +75,7 @@ 
Quick search

     
     

 

-
+
 
 
 
@@ -235,7 +237,7 @@ 
Source code for spatialpy.stochss.stochss_export

 def __add_summary(reaction):
     r_summary = __build_element(reaction['reactants'])
     p_summary = __build_element(reaction['products'])
-    reaction['summary'] = f"{r_summary} \\rightarrow {p_summary}"
+    reaction['summary'] = f"{r_summary} \\rightarrow {p_summary}"
 
 
 def __add_types(model, types):
@@ -258,7 +260,7 @@ 
Source code for spatialpy.stochss.stochss_export

     for species in stoich_species:
         name = species['specie']['name']
         ratio = species['ratio']
-        element = f"{ratio}{name}" if ratio > 1 else name
+        element = f"{ratio}{name}" if ratio > 1 else name
         elements.append(element)
     return '+'.join(elements)
 
@@ -289,7 +291,7 @@ 
Source code for spatialpy.stochss.stochss_export

 
 
 
[docs]def export(model, path=None, return_stochss_model=False):
-    """
+    """
     SpatialPy model to StochSS converter
 
     :param model: SpatialPy model to be converted to StochSS.
@@ -306,7 +308,7 @@ 
Source code for spatialpy.stochss.stochss_export

     """
     _ = model.compile_prep()
     if path is None:
-        path = f"{model.name}.smdl"
+        path = f"{model.name}.smdl"
 
     end_sim = model.tspan.num_timesteps * model.tspan.timestep_size
     time_step = model.tspan.output_freq * model.tspan.timestep_size
@@ -366,7 +368,7 @@ 
Source code for spatialpy.stochss.stochss_export

       ©Copyright (C) 2019-2022.
       
       |
-      Powered by Sphinx 4.4.0
+      Powered by Sphinx 5.3.0
       & Alabaster 0.7.12
       
     

diff --git a/docs/build/html/_static/documentation_options.js b/docs/build/html/_static/documentation_options.js
index ad675b93..fd8f8380 100644
--- a/docs/build/html/_static/documentation_options.js
+++ b/docs/build/html/_static/documentation_options.js
@@ -1,6 +1,6 @@
 var DOCUMENTATION_OPTIONS = {
     URL_ROOT: document.getElementById("documentation_options").getAttribute('data-url_root'),
-    VERSION: '1.1.2',
+    VERSION: '1.1.3',
     LANGUAGE: 'en',
     COLLAPSE_INDEX: false,
     BUILDER: 'html',
diff --git a/docs/build/html/classes/spatialpy.core.html b/docs/build/html/classes/spatialpy.core.html
index 9d69332f..c542d9ed 100644
--- a/docs/build/html/classes/spatialpy.core.html
+++ b/docs/build/html/classes/spatialpy.core.html
@@ -6,7 +6,7 @@
     
     
 
-    spatialpy.core package — SpatialPy 1.1.2 documentation
+    spatialpy.core package — SpatialPy 1.1.3 documentation
     
     
     
diff --git a/docs/build/html/classes/spatialpy.html b/docs/build/html/classes/spatialpy.html
index bdf9bb11..e5d582ff 100644
--- a/docs/build/html/classes/spatialpy.html
+++ b/docs/build/html/classes/spatialpy.html
@@ -6,7 +6,7 @@
     
     
 
-    spatialpy package — SpatialPy 1.1.2 documentation
+    spatialpy package — SpatialPy 1.1.3 documentation
     
     
     
@@ -19,7 +19,7 @@
     
     
     
-    
+    
    
   
   
@@ -73,7 +73,7 @@ 
Navigation

 
Related Topics

 
@@ -800,7 +800,7 @@ 
SubpackagesDocumentation for SpatialPy 1.1.2
+          Documentation for SpatialPy 1.1.3
         
         
  • 
           spatialpy.core package
diff --git a/docs/build/html/classes/spatialpy.solvers.html b/docs/build/html/classes/spatialpy.solvers.html
index 367d61e5..8dbd36aa 100644
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    SpatialPy is a Python 3 package for simulation of spatial deterministic/stochastic reaction-diffusion-advection problems embedded in Lagrangian reference frame particle based fluid dynamics domain
    
 
    This package is intended to replace the PyURDME software https://github.com/pyurdme/pyurdme and will feature both a NSM solver for RDME simulation on static domains and a sSSA-SDPD particle based fluid dynamics solver as described in the publication “A hybrid smoothed dissipative particle dynamics (SDPD) spatial stochastic simulation algorithm (sSSA) for advection–diffusion–reaction problems” by Drawert, Jacob, Li, Yi, Petzold https://www.sciencedirect.com/science/article/pii/S0021999118307101
    
 
    
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"spatialpy.solvers.build_expression.BuildExpression.with_blacklist"]], "with_namespace() (spatialpy.solvers.build_expression.buildexpression method)": [[2, "spatialpy.solvers.build_expression.BuildExpression.with_namespace"]], "export() (in module spatialpy.stochss.stochss_export)": [[3, "spatialpy.stochss.stochss_export.export"]], "spatialpy.stochss": [[3, "module-spatialpy.stochss"]], "spatialpy.stochss.stochss_export": [[3, "module-spatialpy.stochss.stochss_export"]]}})
\ No newline at end of file

From f7b243541240cd22ff93facb2af38f8dfc2a4b08 Mon Sep 17 00:00:00 2001
From: Bryan Rumsey 
Date: Thu, 5 Jan 2023 13:48:52 -0500
Subject: [PATCH 07/30] Fixed issue with type_ids in XML mesh and mesh IO
 lattices.

---
 spatialpy/core/lattice.py | 4 ++--
 1 file changed, 2 insertions(+), 2 deletions(-)

diff --git a/spatialpy/core/lattice.py b/spatialpy/core/lattice.py
index d23ce53d..2e7ca70a 100644
--- a/spatialpy/core/lattice.py
+++ b/spatialpy/core/lattice.py
@@ -548,7 +548,7 @@ def __get_types(self):
 
                     if self.type_ids is not None:
                         type_id = self.type_ids[type_id]
-                    type_ids[int(ndx)] = f"type_{type_id}"
+                    type_ids[int(ndx)] = type_id
                 except ValueError as err:
                     errmsg = f"Could not read in subdomain file, error on line {lnum}: {line}"
                     raise LatticeError(errmsg) from err
@@ -685,7 +685,7 @@ def __get_types(self):
 
                     if self.type_ids is not None:
                         type_id = self.type_ids[type_id]
-                    type_ids[int(ndx)] = f"type_{type_id}"
+                    type_ids[int(ndx)] = type_id
                 except ValueError as err:
                     errmsg = f"Could not read in subdomain file, error on line {lnum}: {line}"
                     raise LatticeError(errmsg) from err

From f59075f3673587b0fe6dab65ce3fd8bc42946351 Mon Sep 17 00:00:00 2001
From: Josh C 
Date: Thu, 12 Jan 2023 20:29:24 -0500
Subject: [PATCH 08/30] Update SConscript and SConstruct files - Fix variant
 directories and env defines - Add source files to ANN and src

---
 .../build/SConstruct                            | 16 +++++++++++-----
 .../external/ANN/src/SConscript                 | 17 ++++++++++++++++-
 .../ssa_sdpd-c-simulation-engine/src/SConscript | 13 ++++++++++++-
 3 files changed, 39 insertions(+), 7 deletions(-)

diff --git a/spatialpy/solvers/c_base/ssa_sdpd-c-simulation-engine/build/SConstruct b/spatialpy/solvers/c_base/ssa_sdpd-c-simulation-engine/build/SConstruct
index 30fefeba..3b2d5866 100644
--- a/spatialpy/solvers/c_base/ssa_sdpd-c-simulation-engine/build/SConstruct
+++ b/spatialpy/solvers/c_base/ssa_sdpd-c-simulation-engine/build/SConstruct
@@ -1,3 +1,5 @@
+import os
+
 model = ARGUMENTS.get('MODEL')
 core_dir = ARGUMENTS.get('CORE_DIR')
 output_root = ARGUMENTS.get('OUTPUT')
@@ -8,13 +10,17 @@ env = Environment(
         Dir(f'{core_dir}/include'),
         Dir(f'{core_dir}/external/ANN/include'),
     ],
+    LIBPATH=[
+        Dir(f'{output_root}/external/ANN/src'),
+        Dir(f'{output_root}/src'),
+    ],
+    ENV=os.environ,
+    # When MSVC (or any other compilers) are supported, update this to be a compiler-specific flag
+    CXXFLAGS=['-std=c++14'],
 )
 
-VariantDir(output_root, f'{core_dir}/src', duplicate=False)
-VariantDir(f'{output_root}/external', f'{core_dir}/external', duplicate=False)
-
 Export('env')
-SConscript(f'{core_dir}/external/ANN/src/SConscript')
-SConscript(f'{core_dir}/src/SConscript')
+SConscript(f'{core_dir}/external/ANN/src/SConscript', variant_dir=f'{output_root}/external/ANN/src', duplicate=False)
+SConscript(f'{core_dir}/src/SConscript', variant_dir=f'{output_root}/src', duplicate=False)
 
 env.Program('ssa_sdpd', model, LIBS=['spatialpy-core', 'ANN'])
diff --git a/spatialpy/solvers/c_base/ssa_sdpd-c-simulation-engine/external/ANN/src/SConscript b/spatialpy/solvers/c_base/ssa_sdpd-c-simulation-engine/external/ANN/src/SConscript
index b880a0eb..07c74d22 100644
--- a/spatialpy/solvers/c_base/ssa_sdpd-c-simulation-engine/external/ANN/src/SConscript
+++ b/spatialpy/solvers/c_base/ssa_sdpd-c-simulation-engine/external/ANN/src/SConscript
@@ -1,2 +1,17 @@
 Import('env')
-env.StaticLibrary('ANN') # TODO
+env.StaticLibrary('ANN', [
+    'ANN.cpp',
+    'brute.cpp',
+    'kd_tree.cpp',
+    'kd_util.cpp',
+    'kd_split.cpp',
+    'kd_dump.cpp',
+    'kd_search.cpp',
+    'kd_pr_search.cpp',
+    'kd_fix_rad_search.cpp',
+    'bd_tree.cpp',
+    'bd_search.cpp',
+    'bd_pr_search.cpp',
+    'bd_fix_rad_search.cpp',
+    'perf.cpp'
+])
diff --git a/spatialpy/solvers/c_base/ssa_sdpd-c-simulation-engine/src/SConscript b/spatialpy/solvers/c_base/ssa_sdpd-c-simulation-engine/src/SConscript
index 7871a974..e06ceb57 100644
--- a/spatialpy/solvers/c_base/ssa_sdpd-c-simulation-engine/src/SConscript
+++ b/spatialpy/solvers/c_base/ssa_sdpd-c-simulation-engine/src/SConscript
@@ -1,2 +1,13 @@
 Import('env')
-env.StaticLibrary('spatialpy-core') # TODO
+env.StaticLibrary('spatialpy-core', [
+    'count_cores.c',
+    'model.c',
+    'NRMConstant_v5.cpp',
+    'output.c',
+    'particle.cpp',
+    'pthread_barrier.c',
+    'read_lammps_input_file.c',
+    'simulate.cpp',
+    'simulate_rdme.cpp',
+    'simulate_threads.c'
+])

From ae4107c8917a65e999f8864bedf10bde3fde5911 Mon Sep 17 00:00:00 2001
From: Josh C 
Date: Sun, 15 Jan 2023 21:16:23 -0500
Subject: [PATCH 09/30] Configure SCons in solver object - Modified `solver.py`
 to reference SCons - Fixed debugging errors in compile method - Updated SCons
 files to define lib in main script

---
 .../build/SConstruct                          | 24 ++++++---
 .../external/ANN/src/SConscript               |  3 +-
 .../src/SConscript                            |  3 +-
 spatialpy/solvers/solver.py                   | 49 +++++++------------
 4 files changed, 37 insertions(+), 42 deletions(-)

diff --git a/spatialpy/solvers/c_base/ssa_sdpd-c-simulation-engine/build/SConstruct b/spatialpy/solvers/c_base/ssa_sdpd-c-simulation-engine/build/SConstruct
index 3b2d5866..e77b415e 100644
--- a/spatialpy/solvers/c_base/ssa_sdpd-c-simulation-engine/build/SConstruct
+++ b/spatialpy/solvers/c_base/ssa_sdpd-c-simulation-engine/build/SConstruct
@@ -1,26 +1,34 @@
 import os
 
 model = ARGUMENTS.get('MODEL')
-core_dir = ARGUMENTS.get('CORE_DIR')
-output_root = ARGUMENTS.get('OUTPUT')
+root_dir = ARGUMENTS.get('ROOT')
+root_include_dir = ARGUMENTS.get('ROOTINC')
+core_dir = ARGUMENTS.get('COREDIR')
+build_dir = ARGUMENTS.get('BUILD')
+
+if core_dir is None:
+    core_dir = build_dir
 
 env = Environment(
     tools=['default', 'mingw'],
     CPPPATH=[
-        Dir(f'{core_dir}/include'),
-        Dir(f'{core_dir}/external/ANN/include'),
+        Dir(f'{root_include_dir}/include'),
+        Dir(f'{root_include_dir}/external/ANN/include'),
     ],
     LIBPATH=[
-        Dir(f'{output_root}/external/ANN/src'),
-        Dir(f'{output_root}/src'),
+        Dir(f'{core_dir}/lib'),
     ],
     ENV=os.environ,
     # When MSVC (or any other compilers) are supported, update this to be a compiler-specific flag
     CXXFLAGS=['-std=c++14'],
 )
+env.VariantDir(core_dir, f'{root_dir}/src', duplicate=False)
+env.VariantDir(f'{core_dir}/external/ANN', f'{root_dir}/external/ANN/src', duplicate=False)
 
 Export('env')
-SConscript(f'{core_dir}/external/ANN/src/SConscript', variant_dir=f'{output_root}/external/ANN/src', duplicate=False)
-SConscript(f'{core_dir}/src/SConscript', variant_dir=f'{output_root}/src', duplicate=False)
+ann = SConscript(f'{root_dir}/external/ANN/src/SConscript', variant_dir=f'{core_dir}/external/ANN', duplicate=False)
+core = SConscript(f'{root_dir}/src/SConscript', variant_dir=core_dir, duplicate=False)
 
+env.StaticLibrary(f'{core_dir}/lib/spatialpy-core', core)
+env.StaticLibrary(f'{core_dir}/lib/ANN', ann)
 env.Program('ssa_sdpd', model, LIBS=['spatialpy-core', 'ANN'])
diff --git a/spatialpy/solvers/c_base/ssa_sdpd-c-simulation-engine/external/ANN/src/SConscript b/spatialpy/solvers/c_base/ssa_sdpd-c-simulation-engine/external/ANN/src/SConscript
index 07c74d22..8354d4c0 100644
--- a/spatialpy/solvers/c_base/ssa_sdpd-c-simulation-engine/external/ANN/src/SConscript
+++ b/spatialpy/solvers/c_base/ssa_sdpd-c-simulation-engine/external/ANN/src/SConscript
@@ -1,5 +1,5 @@
 Import('env')
-env.StaticLibrary('ANN', [
+libANN = env.Object([
     'ANN.cpp',
     'brute.cpp',
     'kd_tree.cpp',
@@ -15,3 +15,4 @@ env.StaticLibrary('ANN', [
     'bd_fix_rad_search.cpp',
     'perf.cpp'
 ])
+Return('libANN')
diff --git a/spatialpy/solvers/c_base/ssa_sdpd-c-simulation-engine/src/SConscript b/spatialpy/solvers/c_base/ssa_sdpd-c-simulation-engine/src/SConscript
index e06ceb57..77f1f019 100644
--- a/spatialpy/solvers/c_base/ssa_sdpd-c-simulation-engine/src/SConscript
+++ b/spatialpy/solvers/c_base/ssa_sdpd-c-simulation-engine/src/SConscript
@@ -1,5 +1,5 @@
 Import('env')
-env.StaticLibrary('spatialpy-core', [
+libspatialpy_core = env.Object([
     'count_cores.c',
     'model.c',
     'NRMConstant_v5.cpp',
@@ -11,3 +11,4 @@ env.StaticLibrary('spatialpy-core', [
     'simulate_rdme.cpp',
     'simulate_threads.c'
 ])
+Return('libspatialpy_core')
diff --git a/spatialpy/solvers/solver.py b/spatialpy/solvers/solver.py
index 0b4cc337..c3c544b0 100644
--- a/spatialpy/solvers/solver.py
+++ b/spatialpy/solvers/solver.py
@@ -23,6 +23,7 @@
 import time
 import getpass
 import re
+import sys
 
 import numpy
 
@@ -460,7 +461,7 @@ def compile(self, debug=False, profile=False):
         # Match except word characters \w = ([a-zA-Z0-9_]) and \_ = _ replace with ''
         propfilename = re.sub(r'[^\w\_]', '', self.model_name)
         self.propfilename = f"{propfilename}_generated_model"
-        self.prop_file_name = os.path.join(self.build_dir, f'{self.propfilename}.c')
+        self.prop_file_name = os.path.join(self.build_dir, f'{self.propfilename}.cpp')
 
         if self.debug_level >= 1:
             print(f"Compiling Solver.  Build dir: {self.build_dir}")
@@ -470,51 +471,35 @@ def compile(self, debug=False, profile=False):
         self.__create_propensity_file(stoich_matrix, dep_graph, file_name=self.prop_file_name)
 
         # Build the solver
-        for make_exe_location in ["make", "mingw32-make"]:
-            make_exe = shutil.which("make")
-            if make_exe is not None:
-                break
-        if make_exe is None:
-            raise SimulationError("Make executable could not be found")
-        makefile = self.spatialpy_rootdir+'/build/Makefile'
-        makefile_ann = self.spatialpy_rootdir+'/external/ANN/src/Makefile.spatialpy'
-
-        cmd_ann = [
-            make_exe, '-d', '-C', self.core_dir, '-f', makefile_ann,
-            f'ROOTINC={self.spatialpy_rootinc}',
-        ]
-        cmd_core = [
-            make_exe, '-d', '-C', self.core_dir, 'CORE', '-f',  makefile,
+        makefile = self.spatialpy_rootdir+'/build/SConstruct'
+        make_cmd = [
+            sys.executable, "-m", "SCons", f"-C{self.build_dir}", f"-f{makefile}",
             f'ROOT={self.spatialpy_rootparam}',
             f'ROOTINC={self.spatialpy_rootinc}',
-            f'BUILD={self.core_dir}',
-        ]
-        cmd_build = [
-            make_exe, '-d', '-C', self.build_dir, '-I', self.core_dir, '-f', makefile,
-            'ROOT=' + self.spatialpy_rootparam,
-            'ROOTINC=' + self.spatialpy_rootinc,
-            'COREDIR=' + self.core_dir,
-            'MODEL=' + self.prop_file_name, 'BUILD='+self.build_dir
+            f'COREDIR={self.core_dir}',
+            f'MODEL={self.prop_file_name}',
+            f'BUILD={self.build_dir}',
         ]
         if profile:
-            cmd_build.append('GPROFFLAG=-pg')
+            # TODO: add profile/debug targets to SConstruct file
+            make_cmd.append('GPROFFLAG=-pg')
         if profile or debug:
-            cmd_build.append('GDB_FLAG=-g')
+            make_cmd.append('GDB_FLAG=-g')
         if self.debug_level > 1:
-            cmd = " && ".join([*cmd_ann, *cmd_core, *cmd_build])
+            cmd = " ".join(make_cmd)
             print(f"cmd: {cmd}\n")
         try:
-            for cmd_target in [cmd_ann, cmd_core, cmd_build]:
-                result = subprocess.check_output(cmd_target, stderr=subprocess.STDOUT)
-                if self.debug_level > 1:
-                    print(result.stdout.decode("utf-8"))
+            result = subprocess.check_output(make_cmd, stderr=subprocess.STDOUT)
+            if self.debug_level > 1:
+                print(result)
         except subprocess.CalledProcessError as err:
             try:
                 print(err.stdout.decode("utf-8"))
             except Exception:
                 pass
-            raise SimulationError(f"Compilation of solver failed, return_code={result.return_code}")
+            raise SimulationError(f"Compilation of solver failed, return_code={err.returncode}")
         except OSError as err:
+            cmd = " ".join(make_cmd)
             print(f"Error, execution of compilation raised an exception: {err}")
             print(f"cmd = {cmd}")
             raise SimulationError("Compilation of solver failed") from err

From 79503f08e20d307ea8a4c6ef239d20c90bbeb2f1 Mon Sep 17 00:00:00 2001
From: BryanRumsey <44621966+BryanRumsey@users.noreply.github.com>
Date: Mon, 16 Jan 2023 15:49:52 -0500
Subject: [PATCH 10/30] Testing plotly fix

---
 spatialpy/core/domain.py | 3 ++-
 1 file changed, 2 insertions(+), 1 deletion(-)

diff --git a/spatialpy/core/domain.py b/spatialpy/core/domain.py
index 81ea1f27..f7afc481 100644
--- a/spatialpy/core/domain.py
+++ b/spatialpy/core/domain.py
@@ -1035,7 +1035,8 @@ def plot_types(self, width=None, height=None, colormap=None, size=None, title=No
 
         if return_plotly_figure:
             return fig
-        init_notebook_mode(connected=True)
+        # init_notebook_mode(connected=True)
+        init_notebook_mode()
         iplot(fig)
         return
 

From 967786974295700adea2e7bfb88c5a114cb1a572 Mon Sep 17 00:00:00 2001
From: "github-actions[bot]"
 <41898282+github-actions[bot]@users.noreply.github.com>
Date: Tue, 17 Jan 2023 18:46:57 +0000
Subject: [PATCH 11/30] Latest docs build.

---
 docs/build/html/.doctrees/environment.pickle  | Bin 748960 -> 748960 bytes
 docs/build/html/_modules/index.html           |   2 +-
 .../spatialpy/core/boundarycondition.html     |   2 +-
 .../html/_modules/spatialpy/core/cleanup.html |   2 +-
 .../_modules/spatialpy/core/datafunction.html |   2 +-
 .../html/_modules/spatialpy/core/domain.html  |   5 +++--
 .../_modules/spatialpy/core/geometry.html     |   2 +-
 .../spatialpy/core/initialcondition.html      |   2 +-
 .../html/_modules/spatialpy/core/lattice.html |   6 +++---
 .../html/_modules/spatialpy/core/model.html   |   2 +-
 .../_modules/spatialpy/core/parameter.html    |   2 +-
 .../_modules/spatialpy/core/reaction.html     |   2 +-
 .../html/_modules/spatialpy/core/result.html  |   2 +-
 .../spatialpy/core/spatialpyerror.html        |   2 +-
 .../html/_modules/spatialpy/core/species.html |   2 +-
 .../_modules/spatialpy/core/timespan.html     |   2 +-
 .../spatialpy/core/transformation.html        |   2 +-
 .../spatialpy/core/visualization.html         |   2 +-
 .../_modules/spatialpy/core/vtkreader.html    |   2 +-
 .../spatialpy/solvers/build_expression.html   |   2 +-
 .../_modules/spatialpy/solvers/solver.html    |   4 ++--
 .../spatialpy/stochss/stochss_export.html     |   2 +-
 docs/build/html/_static/alabaster.css         |   4 +++-
 docs/build/html/classes/spatialpy.core.html   |   2 +-
 docs/build/html/classes/spatialpy.html        |   2 +-
 .../build/html/classes/spatialpy.solvers.html |   2 +-
 .../build/html/classes/spatialpy.stochss.html |   2 +-
 docs/build/html/genindex.html                 |   2 +-
 docs/build/html/index.html                    |   2 +-
 docs/build/html/py-modindex.html              |   2 +-
 docs/build/html/search.html                   |   2 +-
 31 files changed, 37 insertions(+), 34 deletions(-)

diff --git a/docs/build/html/.doctrees/environment.pickle b/docs/build/html/.doctrees/environment.pickle
index 3ca15241aa0748bbf3c1170138f3ac636dc6d6fd..822a77a17ac0cee91f3c7044dafa692347b7cd7d 100644
GIT binary patch
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diff --git a/docs/build/html/_modules/index.html b/docs/build/html/_modules/index.html
index d2f26958..3516536c 100644
--- a/docs/build/html/_modules/index.html
+++ b/docs/build/html/_modules/index.html
@@ -131,7 +131,7 @@ 
    All modules for which code is available
    
       
       |
       Powered by Sphinx 5.3.0
-      & Alabaster 0.7.12
+      & Alabaster 0.7.13
       
     
    
 
diff --git a/docs/build/html/_modules/spatialpy/core/boundarycondition.html b/docs/build/html/_modules/spatialpy/core/boundarycondition.html
index c5979198..b8d2dbf6 100644
--- a/docs/build/html/_modules/spatialpy/core/boundarycondition.html
+++ b/docs/build/html/_modules/spatialpy/core/boundarycondition.html
@@ -280,7 +280,7 @@ 
    Source code for spatialpy.core.boundarycondition
    
       
       |
       Powered by Sphinx 5.3.0
-      & Alabaster 0.7.12
+      & Alabaster 0.7.13
       
     
    
 
diff --git a/docs/build/html/_modules/spatialpy/core/cleanup.html b/docs/build/html/_modules/spatialpy/core/cleanup.html
index cc7da355..f60c8bdc 100644
--- a/docs/build/html/_modules/spatialpy/core/cleanup.html
+++ b/docs/build/html/_modules/spatialpy/core/cleanup.html
@@ -200,7 +200,7 @@ 
    Source code for spatialpy.core.cleanup
           
       |
       Powered by Sphinx 5.3.0
-      & Alabaster 0.7.12
+      & Alabaster 0.7.13
       
     
    
 
diff --git a/docs/build/html/_modules/spatialpy/core/datafunction.html b/docs/build/html/_modules/spatialpy/core/datafunction.html
index bd19185f..6cdca446 100644
--- a/docs/build/html/_modules/spatialpy/core/datafunction.html
+++ b/docs/build/html/_modules/spatialpy/core/datafunction.html
@@ -160,7 +160,7 @@ 
    Source code for spatialpy.core.datafunction
           
       |
       Powered by Sphinx 5.3.0
-      & Alabaster 0.7.12
+      & Alabaster 0.7.13
       
     
    
 
diff --git a/docs/build/html/_modules/spatialpy/core/domain.html b/docs/build/html/_modules/spatialpy/core/domain.html
index 8de35b83..62c84b9a 100644
--- a/docs/build/html/_modules/spatialpy/core/domain.html
+++ b/docs/build/html/_modules/spatialpy/core/domain.html
@@ -1130,7 +1130,8 @@ 
    Source code for spatialpy.core.domain
     
         if return_plotly_figure:
             return fig
-        init_notebook_mode(connected=True)
+        # init_notebook_mode(connected=True)
+        init_notebook_mode()
         iplot(fig)
         return
    
 
@@ -1385,7 +1386,7 @@ 
    Source code for spatialpy.core.domain
           
       |
       Powered by Sphinx 5.3.0
-      & Alabaster 0.7.12
+      & Alabaster 0.7.13
       
     
    
 
diff --git a/docs/build/html/_modules/spatialpy/core/geometry.html b/docs/build/html/_modules/spatialpy/core/geometry.html
index 99281eed..3a91aab5 100644
--- a/docs/build/html/_modules/spatialpy/core/geometry.html
+++ b/docs/build/html/_modules/spatialpy/core/geometry.html
@@ -261,7 +261,7 @@ 
    Source code for spatialpy.core.geometry
           
       |
       Powered by Sphinx 5.3.0
-      & Alabaster 0.7.12
+      & Alabaster 0.7.13
       
     
    
 
diff --git a/docs/build/html/_modules/spatialpy/core/initialcondition.html b/docs/build/html/_modules/spatialpy/core/initialcondition.html
index 24699f21..edbc4c1d 100644
--- a/docs/build/html/_modules/spatialpy/core/initialcondition.html
+++ b/docs/build/html/_modules/spatialpy/core/initialcondition.html
@@ -310,7 +310,7 @@ 
    Source code for spatialpy.core.initialcondition
    <
       
       |
       Powered by Sphinx 5.3.0
-      & Alabaster 0.7.12
+      & Alabaster 0.7.13
       
     
    
 
diff --git a/docs/build/html/_modules/spatialpy/core/lattice.html b/docs/build/html/_modules/spatialpy/core/lattice.html
index 66f7b2d3..a0ad09d0 100644
--- a/docs/build/html/_modules/spatialpy/core/lattice.html
+++ b/docs/build/html/_modules/spatialpy/core/lattice.html
@@ -643,7 +643,7 @@ 
    Source code for spatialpy.core.lattice
     
                     if self.type_ids is not None:
                         type_id = self.type_ids[type_id]
-                    type_ids[int(ndx)] = f"type_{type_id}"
+                    type_ids[int(ndx)] = type_id
                 except ValueError as err:
                     errmsg = f"Could not read in subdomain file, error on line {lnum}: {line}"
                     raise LatticeError(errmsg) from err
@@ -780,7 +780,7 @@ 
    Source code for spatialpy.core.lattice
     
                     if self.type_ids is not None:
                         type_id = self.type_ids[type_id]
-                    type_ids[int(ndx)] = f"type_{type_id}"
+                    type_ids[int(ndx)] = type_id
                 except ValueError as err:
                     errmsg = f"Could not read in subdomain file, error on line {lnum}: {line}"
                     raise LatticeError(errmsg) from err
@@ -987,7 +987,7 @@ 
    Source code for spatialpy.core.lattice
           
       |
       Powered by Sphinx 5.3.0
-      & Alabaster 0.7.12
+      & Alabaster 0.7.13
       
     
    
 
diff --git a/docs/build/html/_modules/spatialpy/core/model.html b/docs/build/html/_modules/spatialpy/core/model.html
index 855f5162..5070aa91 100644
--- a/docs/build/html/_modules/spatialpy/core/model.html
+++ b/docs/build/html/_modules/spatialpy/core/model.html
@@ -1169,7 +1169,7 @@ 
    Source code for spatialpy.core.model
           
       |
       Powered by Sphinx 5.3.0
-      & Alabaster 0.7.12
+      & Alabaster 0.7.13
       
     
    
 
diff --git a/docs/build/html/_modules/spatialpy/core/parameter.html b/docs/build/html/_modules/spatialpy/core/parameter.html
index 2055186f..829c1b09 100644
--- a/docs/build/html/_modules/spatialpy/core/parameter.html
+++ b/docs/build/html/_modules/spatialpy/core/parameter.html
@@ -222,7 +222,7 @@ 
    Source code for spatialpy.core.parameter
           
       |
       Powered by Sphinx 5.3.0
-      & Alabaster 0.7.12
+      & Alabaster 0.7.13
       
     
    
 
diff --git a/docs/build/html/_modules/spatialpy/core/reaction.html b/docs/build/html/_modules/spatialpy/core/reaction.html
index b25e76b8..b9d7a10d 100644
--- a/docs/build/html/_modules/spatialpy/core/reaction.html
+++ b/docs/build/html/_modules/spatialpy/core/reaction.html
@@ -805,7 +805,7 @@ 
    Source code for spatialpy.core.reaction
           
       |
       Powered by Sphinx 5.3.0
-      & Alabaster 0.7.12
+      & Alabaster 0.7.13
       
     
    
 
diff --git a/docs/build/html/_modules/spatialpy/core/result.html b/docs/build/html/_modules/spatialpy/core/result.html
index 5b710f91..749cb884 100644
--- a/docs/build/html/_modules/spatialpy/core/result.html
+++ b/docs/build/html/_modules/spatialpy/core/result.html
@@ -1044,7 +1044,7 @@ 
    Source code for spatialpy.core.result
           
       |
       Powered by Sphinx 5.3.0
-      & Alabaster 0.7.12
+      & Alabaster 0.7.13
       
     
    
 
diff --git a/docs/build/html/_modules/spatialpy/core/spatialpyerror.html b/docs/build/html/_modules/spatialpy/core/spatialpyerror.html
index ff55b286..c39504ce 100644
--- a/docs/build/html/_modules/spatialpy/core/spatialpyerror.html
+++ b/docs/build/html/_modules/spatialpy/core/spatialpyerror.html
@@ -231,7 +231,7 @@ 
    Source code for spatialpy.core.spatialpyerror
    Sphinx 5.3.0
-      & Alabaster 0.7.12
+      & Alabaster 0.7.13
       
     
    
 
diff --git a/docs/build/html/_modules/spatialpy/core/species.html b/docs/build/html/_modules/spatialpy/core/species.html
index 3b5a89c6..9f2ac3b1 100644
--- a/docs/build/html/_modules/spatialpy/core/species.html
+++ b/docs/build/html/_modules/spatialpy/core/species.html
@@ -220,7 +220,7 @@ 
    Source code for spatialpy.core.species
           
       |
       Powered by Sphinx 5.3.0
-      & Alabaster 0.7.12
+      & Alabaster 0.7.13
       
     
    
 
diff --git a/docs/build/html/_modules/spatialpy/core/timespan.html b/docs/build/html/_modules/spatialpy/core/timespan.html
index 5fef7033..2562da6c 100644
--- a/docs/build/html/_modules/spatialpy/core/timespan.html
+++ b/docs/build/html/_modules/spatialpy/core/timespan.html
@@ -325,7 +325,7 @@ 
    Source code for spatialpy.core.timespan
           
       |
       Powered by Sphinx 5.3.0
-      & Alabaster 0.7.12
+      & Alabaster 0.7.13
       
     
    
 
diff --git a/docs/build/html/_modules/spatialpy/core/transformation.html b/docs/build/html/_modules/spatialpy/core/transformation.html
index 173718e6..9908df8c 100644
--- a/docs/build/html/_modules/spatialpy/core/transformation.html
+++ b/docs/build/html/_modules/spatialpy/core/transformation.html
@@ -684,7 +684,7 @@ 
    Source code for spatialpy.core.transformation
    Sphinx 5.3.0
-      & Alabaster 0.7.12
+      & Alabaster 0.7.13
       
     
    
 
diff --git a/docs/build/html/_modules/spatialpy/core/visualization.html b/docs/build/html/_modules/spatialpy/core/visualization.html
index 866d775c..75d4e271 100644
--- a/docs/build/html/_modules/spatialpy/core/visualization.html
+++ b/docs/build/html/_modules/spatialpy/core/visualization.html
@@ -297,7 +297,7 @@ 
    Source code for spatialpy.core.visualization
    Sphinx 5.3.0
-      & Alabaster 0.7.12
+      & Alabaster 0.7.13
       
     
    
 
diff --git a/docs/build/html/_modules/spatialpy/core/vtkreader.html b/docs/build/html/_modules/spatialpy/core/vtkreader.html
index 68f08c44..157f5219 100644
--- a/docs/build/html/_modules/spatialpy/core/vtkreader.html
+++ b/docs/build/html/_modules/spatialpy/core/vtkreader.html
@@ -307,7 +307,7 @@ 
    Source code for spatialpy.core.vtkreader
           
       |
       Powered by Sphinx 5.3.0
-      & Alabaster 0.7.12
+      & Alabaster 0.7.13
       
     
    
 
diff --git a/docs/build/html/_modules/spatialpy/solvers/build_expression.html b/docs/build/html/_modules/spatialpy/solvers/build_expression.html
index 86525ec6..3fe2bd35 100644
--- a/docs/build/html/_modules/spatialpy/solvers/build_expression.html
+++ b/docs/build/html/_modules/spatialpy/solvers/build_expression.html
@@ -866,7 +866,7 @@ 
    Source code for spatialpy.solvers.build_expression
    Sphinx 5.3.0
-      & Alabaster 0.7.12
+      & Alabaster 0.7.13
       
     
    
 
diff --git a/docs/build/html/_modules/spatialpy/solvers/solver.html b/docs/build/html/_modules/spatialpy/solvers/solver.html
index 6fdbddd1..477940fd 100644
--- a/docs/build/html/_modules/spatialpy/solvers/solver.html
+++ b/docs/build/html/_modules/spatialpy/solvers/solver.html
@@ -555,7 +555,7 @@ 
    Source code for spatialpy.solvers.solver
             # Match except word characters \w = ([a-zA-Z0-9_]) and \_ = _ replace with ''
         propfilename = re.sub(r'[^\w\_]', '', self.model_name)
         self.propfilename = f"{propfilename}_generated_model"
-        self.prop_file_name = os.path.join(self.build_dir, f'{self.propfilename}.c')
+        self.prop_file_name = os.path.join(self.build_dir, f'{self.propfilename}.cpp')
 
         if self.debug_level >= 1:
             print(f"Compiling Solver.  Build dir: {self.build_dir}")
@@ -738,7 +738,7 @@ 
    Source code for spatialpy.solvers.solver
           
       |
       Powered by Sphinx 5.3.0
-      & Alabaster 0.7.12
+      & Alabaster 0.7.13
       
     
    
 
diff --git a/docs/build/html/_modules/spatialpy/stochss/stochss_export.html b/docs/build/html/_modules/spatialpy/stochss/stochss_export.html
index e0a09da4..c9502948 100644
--- a/docs/build/html/_modules/spatialpy/stochss/stochss_export.html
+++ b/docs/build/html/_modules/spatialpy/stochss/stochss_export.html
@@ -369,7 +369,7 @@ 
    Source code for spatialpy.stochss.stochss_export
    
       
       |
       Powered by Sphinx 5.3.0
-      & Alabaster 0.7.12
+      & Alabaster 0.7.13
       
     
    
 
diff --git a/docs/build/html/_static/alabaster.css b/docs/build/html/_static/alabaster.css
index 3d5e6213..be920e36 100644
--- a/docs/build/html/_static/alabaster.css
+++ b/docs/build/html/_static/alabaster.css
@@ -419,7 +419,9 @@ table.footnote td {
 }
 
 dl {
-    margin: 0;
+    margin-left: 0;
+    margin-right: 0;
+    margin-top: 0;
     padding: 0;
 }
 
diff --git a/docs/build/html/classes/spatialpy.core.html b/docs/build/html/classes/spatialpy.core.html
index c542d9ed..a1655d92 100644
--- a/docs/build/html/classes/spatialpy.core.html
+++ b/docs/build/html/classes/spatialpy.core.html
@@ -6475,7 +6475,7 @@ 
    SubmodulesSphinx 5.3.0
-      & Alabaster 0.7.12
+      & Alabaster 0.7.13
       
       |
       SubpackagesSphinx 5.3.0
-      & Alabaster 0.7.12
+      & Alabaster 0.7.13
       
       |
       SubmodulesSphinx 5.3.0
-      & Alabaster 0.7.12
+      & Alabaster 0.7.13
       
       |
       SubmodulesSphinx 5.3.0
-      & Alabaster 0.7.12
+      & Alabaster 0.7.13
       
       |
       X
    
       
       |
       Powered by Sphinx 5.3.0
-      & Alabaster 0.7.12
+      & Alabaster 0.7.13
       
     
    
 
diff --git a/docs/build/html/index.html b/docs/build/html/index.html
index 7b269c95..f94625f5 100644
--- a/docs/build/html/index.html
+++ b/docs/build/html/index.html
@@ -160,7 +160,7 @@ 
    Indices and tablesSphinx 5.3.0
-      & Alabaster 0.7.12
+      & Alabaster 0.7.13
       
       |
       Python Module Index
    
       
       |
       Powered by Sphinx 5.3.0
-      & Alabaster 0.7.12
+      & Alabaster 0.7.13
       
     
    
 
diff --git a/docs/build/html/search.html b/docs/build/html/search.html
index ae573992..2f522b1e 100644
--- a/docs/build/html/search.html
+++ b/docs/build/html/search.html
@@ -135,7 +135,7 @@ 
    Search
    
       
       |
       Powered by Sphinx 5.3.0
-      & Alabaster 0.7.12
+      & Alabaster 0.7.13
       
     
    
 

From f2457380f8ad8ce97d4542f72982349247affa61 Mon Sep 17 00:00:00 2001
From: BryanRumsey <44621966+BryanRumsey@users.noreply.github.com>
Date: Tue, 17 Jan 2023 13:47:16 -0500
Subject: [PATCH 12/30] Update __version__.py

---
 spatialpy/__version__.py | 2 +-
 1 file changed, 1 insertion(+), 1 deletion(-)

diff --git a/spatialpy/__version__.py b/spatialpy/__version__.py
index 8bcd3576..9d043308 100644
--- a/spatialpy/__version__.py
+++ b/spatialpy/__version__.py
@@ -21,7 +21,7 @@
 # @website https://github.com/StochSS/SpatialPy
 # =============================================================================
 
-__version__      = '1.1.3'
+__version__      = '1.2.0'
 __title__        = 'SpatialPy'
 __description__  = 'Python Interface for Spatial Stochastic Biochemical Simulations'
 __url__          = 'https://spatialpy.github.io/SpatialPy/'

From 869fa75d0976f51234d87ff18c12e9473d83c1c2 Mon Sep 17 00:00:00 2001
From: "github-actions[bot]"
 <41898282+github-actions[bot]@users.noreply.github.com>
Date: Tue, 17 Jan 2023 18:47:31 +0000
Subject: [PATCH 13/30] Latest docs build.

---
 docs/build/html/.buildinfo                    |   2 +-
 docs/build/html/.doctrees/environment.pickle  | Bin 748960 -> 748973 bytes
 docs/build/html/.doctrees/index.doctree       | Bin 14685 -> 14685 bytes
 docs/build/html/_modules/index.html           |   2 +-
 .../html/_static/documentation_options.js     |   2 +-
 docs/build/html/classes/spatialpy.core.html   |   2 +-
 docs/build/html/classes/spatialpy.html        |   8 ++++----
 .../build/html/classes/spatialpy.solvers.html |   2 +-
 .../build/html/classes/spatialpy.stochss.html |   2 +-
 docs/build/html/genindex.html                 |   2 +-
 docs/build/html/index.html                    |   4 ++--
 docs/build/html/objects.inv                   | Bin 3153 -> 3153 bytes
 docs/build/html/py-modindex.html              |   2 +-
 docs/build/html/search.html                   |   2 +-
 docs/build/html/searchindex.js                |   2 +-
 15 files changed, 16 insertions(+), 16 deletions(-)

diff --git a/docs/build/html/.buildinfo b/docs/build/html/.buildinfo
index 63c4d090..8287e0c2 100644
--- a/docs/build/html/.buildinfo
+++ b/docs/build/html/.buildinfo
@@ -1,4 +1,4 @@
 # Sphinx build info version 1
 # This file hashes the configuration used when building these files. When it is not found, a full rebuild will be done.
-config: e5e88807fc7e6c4271ba5004764bfed7
+config: e12fa66f30479b44f49efa882ed90e3f
 tags: 645f666f9bcd5a90fca523b33c5a78b7
diff --git a/docs/build/html/.doctrees/environment.pickle b/docs/build/html/.doctrees/environment.pickle
index 822a77a17ac0cee91f3c7044dafa692347b7cd7d..2a69e63fcab32f3a68e94b875e8bfec7e9f324d5 100644
GIT binary patch
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@@ -800,7 +800,7 @@ 
    SubpackagesDocumentation for SpatialPy 1.1.3
+          Documentation for SpatialPy 1.2.0
         
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diff --git a/docs/build/html/.doctrees/index.doctree b/docs/build/html/.doctrees/index.doctree
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GIT binary patch
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diff --git a/docs/build/html/_modules/index.html b/docs/build/html/_modules/index.html
index 3516536c..156c6762 100644
--- a/docs/build/html/_modules/index.html
+++ b/docs/build/html/_modules/index.html
@@ -5,7 +5,7 @@
   
     
     
-    Overview: module code — SpatialPy 1.1.3 documentation
+    Overview: module code — SpatialPy 1.2.0 documentation
     
     
     
diff --git a/docs/build/html/_static/documentation_options.js b/docs/build/html/_static/documentation_options.js
index fd8f8380..edac509f 100644
--- a/docs/build/html/_static/documentation_options.js
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@@ -1,6 +1,6 @@
 var DOCUMENTATION_OPTIONS = {
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diff --git a/docs/build/html/classes/spatialpy.core.html b/docs/build/html/classes/spatialpy.core.html
index a1655d92..cc0c1571 100644
--- a/docs/build/html/classes/spatialpy.core.html
+++ b/docs/build/html/classes/spatialpy.core.html
@@ -6,7 +6,7 @@
     
     
 
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+    spatialpy.core package — SpatialPy 1.2.0 documentation
     
     
     
diff --git a/docs/build/html/classes/spatialpy.html b/docs/build/html/classes/spatialpy.html
index 062f31dc..b4c8242b 100644
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@@ -6,7 +6,7 @@
     
     
 
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    • 
         
  • 
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diff --git a/docs/build/html/classes/spatialpy.solvers.html b/docs/build/html/classes/spatialpy.solvers.html
index 3a6e6e2f..7dd2ba9e 100644
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diff --git a/docs/build/html/classes/spatialpy.stochss.html b/docs/build/html/classes/spatialpy.stochss.html
index d2b506a3..6cec48eb 100644
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diff --git a/docs/build/html/genindex.html b/docs/build/html/genindex.html
index a55a44a2..c09fb814 100644
--- a/docs/build/html/genindex.html
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+    Index — SpatialPy 1.2.0 documentation
     
     
     
diff --git a/docs/build/html/index.html b/docs/build/html/index.html
index f94625f5..5eaa2e4a 100644
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-
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+
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    SpatialPy is a Python 3 package for simulation of spatial deterministic/stochastic reaction-diffusion-advection problems embedded in Lagrangian reference frame particle based fluid dynamics domain
    
 
    This package is intended to replace the PyURDME software https://github.com/pyurdme/pyurdme and will feature both a NSM solver for RDME simulation on static domains and a sSSA-SDPD particle based fluid dynamics solver as described in the publication “A hybrid smoothed dissipative particle dynamics (SDPD) spatial stochastic simulation algorithm (sSSA) for advection–diffusion–reaction problems” by Drawert, Jacob, Li, Yi, Petzold https://www.sciencedirect.com/science/article/pii/S0021999118307101
    
 
    
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From bb0f309fb6659970a57582ab22db15efce5cfd31 Mon Sep 17 00:00:00 2001
From: "github-actions[bot]"
 <41898282+github-actions[bot]@users.noreply.github.com>
Date: Tue, 17 Jan 2023 18:48:45 +0000
Subject: [PATCH 14/30] Latest docs build.

---
 docs/build/html/.doctrees/environment.pickle  | Bin 748973 -> 748960 bytes
 .../spatialpy/core/boundarycondition.html     |   2 +-
 .../html/_modules/spatialpy/core/cleanup.html |   2 +-
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 .../html/_modules/spatialpy/core/lattice.html |   2 +-
 .../html/_modules/spatialpy/core/model.html   |   2 +-
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 .../html/_modules/spatialpy/core/species.html |   2 +-
 .../_modules/spatialpy/core/timespan.html     |   2 +-
 .../spatialpy/core/transformation.html        |   2 +-
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 .../_modules/spatialpy/solvers/solver.html    |   2 +-
 .../spatialpy/stochss/stochss_export.html     |   2 +-
 21 files changed, 20 insertions(+), 20 deletions(-)

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diff --git a/docs/build/html/_modules/spatialpy/core/boundarycondition.html b/docs/build/html/_modules/spatialpy/core/boundarycondition.html
index b8d2dbf6..32b1fd5d 100644
--- a/docs/build/html/_modules/spatialpy/core/boundarycondition.html
+++ b/docs/build/html/_modules/spatialpy/core/boundarycondition.html
@@ -5,7 +5,7 @@
   
     
     
-    spatialpy.core.boundarycondition — SpatialPy 1.1.3 documentation
+    spatialpy.core.boundarycondition — SpatialPy 1.2.0 documentation
     
     
     
diff --git a/docs/build/html/_modules/spatialpy/core/cleanup.html b/docs/build/html/_modules/spatialpy/core/cleanup.html
index f60c8bdc..925d7b0d 100644
--- a/docs/build/html/_modules/spatialpy/core/cleanup.html
+++ b/docs/build/html/_modules/spatialpy/core/cleanup.html
@@ -5,7 +5,7 @@
   
     
     
-    spatialpy.core.cleanup — SpatialPy 1.1.3 documentation
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diff --git a/docs/build/html/_modules/spatialpy/core/datafunction.html b/docs/build/html/_modules/spatialpy/core/datafunction.html
index 6cdca446..ee481528 100644
--- a/docs/build/html/_modules/spatialpy/core/datafunction.html
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@@ -5,7 +5,7 @@
   
     
     
-    spatialpy.core.datafunction — SpatialPy 1.1.3 documentation
+    spatialpy.core.datafunction — SpatialPy 1.2.0 documentation
     
     
     
diff --git a/docs/build/html/_modules/spatialpy/core/domain.html b/docs/build/html/_modules/spatialpy/core/domain.html
index 62c84b9a..f6d4b923 100644
--- a/docs/build/html/_modules/spatialpy/core/domain.html
+++ b/docs/build/html/_modules/spatialpy/core/domain.html
@@ -5,7 +5,7 @@
   
     
     
-    spatialpy.core.domain — SpatialPy 1.1.3 documentation
+    spatialpy.core.domain — SpatialPy 1.2.0 documentation
     
     
     
diff --git a/docs/build/html/_modules/spatialpy/core/geometry.html b/docs/build/html/_modules/spatialpy/core/geometry.html
index 3a91aab5..1a2882b9 100644
--- a/docs/build/html/_modules/spatialpy/core/geometry.html
+++ b/docs/build/html/_modules/spatialpy/core/geometry.html
@@ -5,7 +5,7 @@
   
     
     
-    spatialpy.core.geometry — SpatialPy 1.1.3 documentation
+    spatialpy.core.geometry — SpatialPy 1.2.0 documentation
     
     
     
diff --git a/docs/build/html/_modules/spatialpy/core/initialcondition.html b/docs/build/html/_modules/spatialpy/core/initialcondition.html
index edbc4c1d..abdfbb3c 100644
--- a/docs/build/html/_modules/spatialpy/core/initialcondition.html
+++ b/docs/build/html/_modules/spatialpy/core/initialcondition.html
@@ -5,7 +5,7 @@
   
     
     
-    spatialpy.core.initialcondition — SpatialPy 1.1.3 documentation
+    spatialpy.core.initialcondition — SpatialPy 1.2.0 documentation
     
     
     
diff --git a/docs/build/html/_modules/spatialpy/core/lattice.html b/docs/build/html/_modules/spatialpy/core/lattice.html
index a0ad09d0..ef1dcc76 100644
--- a/docs/build/html/_modules/spatialpy/core/lattice.html
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@@ -5,7 +5,7 @@
   
     
     
-    spatialpy.core.lattice — SpatialPy 1.1.3 documentation
+    spatialpy.core.lattice — SpatialPy 1.2.0 documentation
     
     
     
diff --git a/docs/build/html/_modules/spatialpy/core/model.html b/docs/build/html/_modules/spatialpy/core/model.html
index 5070aa91..8862cfa0 100644
--- a/docs/build/html/_modules/spatialpy/core/model.html
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@@ -5,7 +5,7 @@
   
     
     
-    spatialpy.core.model — SpatialPy 1.1.3 documentation
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diff --git a/docs/build/html/_modules/spatialpy/core/parameter.html b/docs/build/html/_modules/spatialpy/core/parameter.html
index 829c1b09..f78c8bff 100644
--- a/docs/build/html/_modules/spatialpy/core/parameter.html
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@@ -5,7 +5,7 @@
   
     
     
-    spatialpy.core.parameter — SpatialPy 1.1.3 documentation
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diff --git a/docs/build/html/_modules/spatialpy/core/reaction.html b/docs/build/html/_modules/spatialpy/core/reaction.html
index b9d7a10d..ee89eac8 100644
--- a/docs/build/html/_modules/spatialpy/core/reaction.html
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-    spatialpy.core.reaction — SpatialPy 1.1.3 documentation
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diff --git a/docs/build/html/_modules/spatialpy/core/result.html b/docs/build/html/_modules/spatialpy/core/result.html
index 749cb884..de1aca0c 100644
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-    spatialpy.core.result — SpatialPy 1.1.3 documentation
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diff --git a/docs/build/html/_modules/spatialpy/core/spatialpyerror.html b/docs/build/html/_modules/spatialpy/core/spatialpyerror.html
index c39504ce..e3c3d22e 100644
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-    spatialpy.core.spatialpyerror — SpatialPy 1.1.3 documentation
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diff --git a/docs/build/html/_modules/spatialpy/core/species.html b/docs/build/html/_modules/spatialpy/core/species.html
index 9f2ac3b1..0063b382 100644
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-    spatialpy.core.species — SpatialPy 1.1.3 documentation
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diff --git a/docs/build/html/_modules/spatialpy/core/timespan.html b/docs/build/html/_modules/spatialpy/core/timespan.html
index 2562da6c..b943ca40 100644
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-    spatialpy.core.timespan — SpatialPy 1.1.3 documentation
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diff --git a/docs/build/html/_modules/spatialpy/core/transformation.html b/docs/build/html/_modules/spatialpy/core/transformation.html
index 9908df8c..3024ea73 100644
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-    spatialpy.core.transformation — SpatialPy 1.1.3 documentation
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diff --git a/docs/build/html/_modules/spatialpy/core/visualization.html b/docs/build/html/_modules/spatialpy/core/visualization.html
index 75d4e271..b34ff7df 100644
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-    spatialpy.core.visualization — SpatialPy 1.1.3 documentation
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diff --git a/docs/build/html/_modules/spatialpy/core/vtkreader.html b/docs/build/html/_modules/spatialpy/core/vtkreader.html
index 157f5219..c000ca1d 100644
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@@ -5,7 +5,7 @@
   
     
     
-    spatialpy.core.vtkreader — SpatialPy 1.1.3 documentation
+    spatialpy.core.vtkreader — SpatialPy 1.2.0 documentation
     
     
     
diff --git a/docs/build/html/_modules/spatialpy/solvers/build_expression.html b/docs/build/html/_modules/spatialpy/solvers/build_expression.html
index 3fe2bd35..b0aa1134 100644
--- a/docs/build/html/_modules/spatialpy/solvers/build_expression.html
+++ b/docs/build/html/_modules/spatialpy/solvers/build_expression.html
@@ -5,7 +5,7 @@
   
     
     
-    spatialpy.solvers.build_expression — SpatialPy 1.1.3 documentation
+    spatialpy.solvers.build_expression — SpatialPy 1.2.0 documentation
     
     
     
diff --git a/docs/build/html/_modules/spatialpy/solvers/solver.html b/docs/build/html/_modules/spatialpy/solvers/solver.html
index 477940fd..8b5eed7c 100644
--- a/docs/build/html/_modules/spatialpy/solvers/solver.html
+++ b/docs/build/html/_modules/spatialpy/solvers/solver.html
@@ -5,7 +5,7 @@
   
     
     
-    spatialpy.solvers.solver — SpatialPy 1.1.3 documentation
+    spatialpy.solvers.solver — SpatialPy 1.2.0 documentation
     
     
     
diff --git a/docs/build/html/_modules/spatialpy/stochss/stochss_export.html b/docs/build/html/_modules/spatialpy/stochss/stochss_export.html
index c9502948..f187a042 100644
--- a/docs/build/html/_modules/spatialpy/stochss/stochss_export.html
+++ b/docs/build/html/_modules/spatialpy/stochss/stochss_export.html
@@ -5,7 +5,7 @@
   
     
     
-    spatialpy.stochss.stochss_export — SpatialPy 1.1.3 documentation
+    spatialpy.stochss.stochss_export — SpatialPy 1.2.0 documentation
     
     
     

From 6fd40fbc59b8b0a9f296f4e148b7b4d7ddbe00fe Mon Sep 17 00:00:00 2001
From: Bryan Rumsey 
Date: Wed, 18 Jan 2023 12:55:31 -0500
Subject: [PATCH 15/30] Fixed notebook plotting issues with plotly.

---
 spatialpy/core/domain.py | 1 -
 spatialpy/core/result.py | 4 ++--
 2 files changed, 2 insertions(+), 3 deletions(-)

diff --git a/spatialpy/core/domain.py b/spatialpy/core/domain.py
index f7afc481..1921cfb0 100644
--- a/spatialpy/core/domain.py
+++ b/spatialpy/core/domain.py
@@ -1035,7 +1035,6 @@ def plot_types(self, width=None, height=None, colormap=None, size=None, title=No
 
         if return_plotly_figure:
             return fig
-        # init_notebook_mode(connected=True)
         init_notebook_mode()
         iplot(fig)
         return
diff --git a/spatialpy/core/result.py b/spatialpy/core/result.py
index 8db5f27e..1753a1d9 100644
--- a/spatialpy/core/result.py
+++ b/spatialpy/core/result.py
@@ -582,7 +582,7 @@ def plot_species(self, species, t_ndx=None, t_val=None, concentration=False,
 
         if return_plotly_figure:
             return fig
-        init_notebook_mode(connected=True)
+        init_notebook_mode()
         iplot(fig)
 
     def get_property(self, property_name, timepoints=None):
@@ -881,7 +881,7 @@ def plot_property(self, property_name, t_ndx=None, t_val=None, p_ndx=0, width=No
 
         if return_plotly_figure:
             return fig
-        init_notebook_mode(connected=True)
+        init_notebook_mode()
         iplot(fig)
 
     def export_to_csv(self, folder_name=None):

From b7875b3536f44c542c71f42fd01e4ae901ae099c Mon Sep 17 00:00:00 2001
From: Bryan Rumsey 
Date: Wed, 25 Jan 2023 10:28:00 -0500
Subject: [PATCH 16/30] fixed numerical error when decrementing radius.

---
 spatialpy/core/lattice.py | 16 ++++++++++++----
 1 file changed, 12 insertions(+), 4 deletions(-)

diff --git a/spatialpy/core/lattice.py b/spatialpy/core/lattice.py
index 2e7ca70a..cc573aa3 100644
--- a/spatialpy/core/lattice.py
+++ b/spatialpy/core/lattice.py
@@ -308,6 +308,10 @@ def apply(self, domain, geometry, transform=None, **kwargs):
         if transform is not None and not callable(transform):
             raise LatticeError("transform must be a function.")
 
+        digits = max(
+            len(str(self.deltar).split(".")[1]) if "." in str(self.deltar) else 0,
+            len(str(self.radius).split(".")[1]) if "." in str(self.radius) else 0
+        )
         count = 0
         radius = self.radius
         while radius > 0:
@@ -323,7 +327,7 @@ def apply(self, domain, geometry, transform=None, **kwargs):
 
             for mphi in range(m_phi):
                 phi = numpy.pi * (mphi + 0.5) / m_phi
-                m_theta = int(round(2 * numpy.pi * numpy.sin(phi) / d_phi))
+                m_theta = int(round(2 * numpy.pi * numpy.sin(phi) / d_theta))
 
                 for mtheta in range(m_theta):
                     theta = 2 * numpy.pi * mtheta / m_theta
@@ -339,7 +343,7 @@ def apply(self, domain, geometry, transform=None, **kwargs):
                             point = numpy.array(point)
                         domain.add_point(point + self.center, **kwargs)
                         count += 1
-            radius -= self.deltar
+            radius = round(radius - self.deltar, digits)
         if radius == 0 and geometry.inside((0, 0, 0), False):
             point = [0, 0, 0] if transform is None else transform([0, 0, 0])
             if not isinstance(point, numpy.ndarray):
@@ -439,6 +443,10 @@ def apply(self, domain, geometry, transform=None, **kwargs):
         if transform is not None and not callable(transform):
             raise LatticeError("transform must be a function.")
 
+        digits = max(
+            len(str(self.deltar).split(".")[1]) if "." in str(self.deltar) else 0,
+            len(str(self.radius).split(".")[1]) if "." in str(self.radius) else 0
+        )
         count = 0
         h_len = self.length / 2
         xmin = -h_len
@@ -456,7 +464,7 @@ def apply(self, domain, geometry, transform=None, **kwargs):
             x = xmin
             while x <= xmax:
                 for mtheta in range(m_theta):
-                    theta = 2 * numpy.pi * (mtheta + 0.5) / m_theta
+                    theta = 2 * numpy.pi * (mtheta + 0.5) / d_theta
                     y = radius * numpy.cos(theta)
                     z = radius * numpy.sin(theta)
                     if geometry.inside((x, y, z), False):
@@ -469,7 +477,7 @@ def apply(self, domain, geometry, transform=None, **kwargs):
                         domain.add_point(point + self.center, **kwargs)
                         count += 1
                 x += self.deltas
-            radius -= self.deltar
+            radius = round(radius - self.deltar, digits)
         if radius == 0:
             x = xmin
             while x <= xmax:

From bbdc022a5b0c93cf845458726bad41d766b5f3f8 Mon Sep 17 00:00:00 2001
From: Bryan Rumsey 
Date: Wed, 25 Jan 2023 10:59:28 -0500
Subject: [PATCH 17/30] fixed numerical error when decrementing radius.

---
 spatialpy/core/lattice.py | 4 ++--
 1 file changed, 2 insertions(+), 2 deletions(-)

diff --git a/spatialpy/core/lattice.py b/spatialpy/core/lattice.py
index cc573aa3..6d1b43d9 100644
--- a/spatialpy/core/lattice.py
+++ b/spatialpy/core/lattice.py
@@ -327,7 +327,7 @@ def apply(self, domain, geometry, transform=None, **kwargs):
 
             for mphi in range(m_phi):
                 phi = numpy.pi * (mphi + 0.5) / m_phi
-                m_theta = int(round(2 * numpy.pi * numpy.sin(phi) / d_theta))
+                m_theta = int(round(2 * numpy.pi * numpy.sin(phi) / m_theta))
 
                 for mtheta in range(m_theta):
                     theta = 2 * numpy.pi * mtheta / m_theta
@@ -464,7 +464,7 @@ def apply(self, domain, geometry, transform=None, **kwargs):
             x = xmin
             while x <= xmax:
                 for mtheta in range(m_theta):
-                    theta = 2 * numpy.pi * (mtheta + 0.5) / d_theta
+                    theta = 2 * numpy.pi * (mtheta + 0.5) / m_theta
                     y = radius * numpy.cos(theta)
                     z = radius * numpy.sin(theta)
                     if geometry.inside((x, y, z), False):

From f3af2a4042b2210f1eecde77b7ec06ad96663a97 Mon Sep 17 00:00:00 2001
From: Bryan Rumsey 
Date: Wed, 25 Jan 2023 11:30:31 -0500
Subject: [PATCH 18/30] fixed numerical error when decrementing radius.

---
 spatialpy/core/lattice.py | 2 +-
 1 file changed, 1 insertion(+), 1 deletion(-)

diff --git a/spatialpy/core/lattice.py b/spatialpy/core/lattice.py
index 6d1b43d9..dd9e855c 100644
--- a/spatialpy/core/lattice.py
+++ b/spatialpy/core/lattice.py
@@ -327,7 +327,7 @@ def apply(self, domain, geometry, transform=None, **kwargs):
 
             for mphi in range(m_phi):
                 phi = numpy.pi * (mphi + 0.5) / m_phi
-                m_theta = int(round(2 * numpy.pi * numpy.sin(phi) / m_theta))
+                m_theta = int(round(2 * numpy.pi * numpy.sin(phi) / d_phi))
 
                 for mtheta in range(m_theta):
                     theta = 2 * numpy.pi * mtheta / m_theta

From 60a87c8a6f030d34f244df7cefe7dd13bf36c188 Mon Sep 17 00:00:00 2001
From: Bryan Rumsey 
Date: Wed, 25 Jan 2023 13:22:18 -0500
Subject: [PATCH 19/30] Added warning for approx_rc == 0.

---
 spatialpy/core/lattice.py | 104 +++++++++++++++++++++-----------------
 1 file changed, 58 insertions(+), 46 deletions(-)

diff --git a/spatialpy/core/lattice.py b/spatialpy/core/lattice.py
index dd9e855c..9724ad62 100644
--- a/spatialpy/core/lattice.py
+++ b/spatialpy/core/lattice.py
@@ -318,31 +318,37 @@ def apply(self, domain, geometry, transform=None, **kwargs):
             # Calculate the approximate number of particle with the radius
             approx_rc = int(round((4 * radius ** 2) / ((self.deltas / 2) ** 2)))
 
-            # Set constants for the radius
-            p_area = 4 * numpy.pi * radius ** 2 / approx_rc
-            d_a = numpy.sqrt(p_area)
-            m_phi = int(round(numpy.pi * radius / d_a))
-            d_phi = numpy.pi / m_phi
-            d_theta = p_area / d_phi
-
-            for mphi in range(m_phi):
-                phi = numpy.pi * (mphi + 0.5) / m_phi
-                m_theta = int(round(2 * numpy.pi * numpy.sin(phi) / d_phi))
-
-                for mtheta in range(m_theta):
-                    theta = 2 * numpy.pi * mtheta / m_theta
-                    x = radius * numpy.cos(theta) * numpy.sin(phi)
-                    y = radius * numpy.sin(theta) * numpy.sin(phi)
-                    z = radius * numpy.cos(phi)
-                    if geometry.inside((x, y, z), False):
-                        if transform is None:
-                            point = [x, y, z]
-                        else:
-                            point = transform([x, y, z])
-                        if not isinstance(point, numpy.ndarray):
-                            point = numpy.array(point)
-                        domain.add_point(point + self.center, **kwargs)
-                        count += 1
+            if approx_rc == 0:
+                from spatialpy.core import log # pylint: disable=import-outside-toplevel
+                msg = f"Approximation of particles for the layer at radius {radius} is 0."
+                msg += "Consider increasing the radius or increasing the radial spacing (deltas)"
+                log.warning(msg)
+            else:
+                # Set constants for the radius
+                p_area = 4 * numpy.pi * radius ** 2 / approx_rc
+                d_a = numpy.sqrt(p_area)
+                m_phi = int(round(numpy.pi * radius / d_a))
+                d_phi = numpy.pi / m_phi
+                d_theta = p_area / d_phi
+
+                for mphi in range(m_phi):
+                    phi = numpy.pi * (mphi + 0.5) / m_phi
+                    m_theta = int(round(2 * numpy.pi * numpy.sin(phi) / d_phi))
+
+                    for mtheta in range(m_theta):
+                        theta = 2 * numpy.pi * mtheta / m_theta
+                        x = radius * numpy.cos(theta) * numpy.sin(phi)
+                        y = radius * numpy.sin(theta) * numpy.sin(phi)
+                        z = radius * numpy.cos(phi)
+                        if geometry.inside((x, y, z), False):
+                            if transform is None:
+                                point = [x, y, z]
+                            else:
+                                point = transform([x, y, z])
+                            if not isinstance(point, numpy.ndarray):
+                                point = numpy.array(point)
+                            domain.add_point(point + self.center, **kwargs)
+                            count += 1
             radius = round(radius - self.deltar, digits)
         if radius == 0 and geometry.inside((0, 0, 0), False):
             point = [0, 0, 0] if transform is None else transform([0, 0, 0])
@@ -456,27 +462,33 @@ def apply(self, domain, geometry, transform=None, **kwargs):
             # Calculate the approximate number of particle with the radius
             approx_rc = int(round((2 * radius * self.length) / ((self.deltas / 2) ** 2)))
 
-            p_area = 2 * numpy.pi * radius * self.length / approx_rc
-            d_a = numpy.sqrt(p_area)
-            m_theta = int(round(2 * numpy.pi * radius / d_a))
-            d_theta = 2 * numpy.pi / m_theta
-
-            x = xmin
-            while x <= xmax:
-                for mtheta in range(m_theta):
-                    theta = 2 * numpy.pi * (mtheta + 0.5) / m_theta
-                    y = radius * numpy.cos(theta)
-                    z = radius * numpy.sin(theta)
-                    if geometry.inside((x, y, z), False):
-                        if transform is None:
-                            point = [x, y, z]
-                        else:
-                            point = transform([x, y, z])
-                        if not isinstance(point, numpy.ndarray):
-                            point = numpy.array(point)
-                        domain.add_point(point + self.center, **kwargs)
-                        count += 1
-                x += self.deltas
+            if approx_rc == 0:
+                from spatialpy.core import log # pylint: disable=import-outside-toplevel
+                msg = f"Approximation of particles for the layer at radius {radius} is 0."
+                msg += "Consider increasing the radius or increasing the radial spacing (deltas)"
+                log.warning(msg)
+            else:
+                p_area = 2 * numpy.pi * radius * self.length / approx_rc
+                d_a = numpy.sqrt(p_area)
+                m_theta = int(round(2 * numpy.pi * radius / d_a))
+                d_theta = 2 * numpy.pi / m_theta
+
+                x = xmin
+                while x <= xmax:
+                    for mtheta in range(m_theta):
+                        theta = 2 * numpy.pi * (mtheta + 0.5) / m_theta
+                        y = radius * numpy.cos(theta)
+                        z = radius * numpy.sin(theta)
+                        if geometry.inside((x, y, z), False):
+                            if transform is None:
+                                point = [x, y, z]
+                            else:
+                                point = transform([x, y, z])
+                            if not isinstance(point, numpy.ndarray):
+                                point = numpy.array(point)
+                            domain.add_point(point + self.center, **kwargs)
+                            count += 1
+                    x += self.deltas
             radius = round(radius - self.deltar, digits)
         if radius == 0:
             x = xmin

From 1e780930191b461de461267d2f7e8bf76ec12f23 Mon Sep 17 00:00:00 2001
From: Bryan Rumsey 
Date: Mon, 30 Jan 2023 09:36:42 -0500
Subject: [PATCH 20/30] Changed the logger to a named logger.

---
 spatialpy/core/__init__.py | 64 +++++++++++++++++++++-----------------
 1 file changed, 35 insertions(+), 29 deletions(-)

diff --git a/spatialpy/core/__init__.py b/spatialpy/core/__init__.py
index af272085..af5e9d71 100644
--- a/spatialpy/core/__init__.py
+++ b/spatialpy/core/__init__.py
@@ -18,33 +18,33 @@
 from spatialpy.__version__ import __version__
 from .boundarycondition import BoundaryCondition
 from .cleanup import (
-	cleanup_tempfiles,
-	cleanup_core_files,
-	cleanup_build_files,
-	cleanup_result_files
+    cleanup_tempfiles,
+    cleanup_core_files,
+    cleanup_build_files,
+    cleanup_result_files
 )
 from .datafunction import DataFunction
 from .domain import Domain
 from .geometry import (
-	CombinatoryGeometry,
-	Geometry,
-	GeometryAll,
-	GeometryExterior,
-	GeometryInterior
+    CombinatoryGeometry,
+    Geometry,
+    GeometryAll,
+    GeometryExterior,
+    GeometryInterior
 )
 from .initialcondition import (
-	InitialCondition,
-	PlaceInitialCondition,
-	UniformInitialCondition,
-	ScatterInitialCondition
+    InitialCondition,
+    PlaceInitialCondition,
+    UniformInitialCondition,
+    ScatterInitialCondition
 )
 from .lattice import (
-	CartesianLattice,
-	SphericalLattice,
-	CylindricalLattice,
-	XMLMeshLattice,
-	MeshIOLattice,
-	StochSSLattice
+    CartesianLattice,
+    SphericalLattice,
+    CylindricalLattice,
+    XMLMeshLattice,
+    MeshIOLattice,
+    StochSSLattice
 )
 from .model import Model, export_StochSS
 from .parameter import Parameter
@@ -54,21 +54,27 @@
 from .species import Species
 from .timespan import TimeSpan
 from .transformation import (
-	Transformation,
-	TranslationTransformation,
-	RotationTransformation,
-	ReflectionTransformation,
-	ScalingTransformation
+    Transformation,
+    TranslationTransformation,
+    RotationTransformation,
+    ReflectionTransformation,
+    ScalingTransformation
 )
 from .visualization import Visualization
 from .vtkreader import *
 
-_formatter = logging.Formatter('%(asctime)s - %(name)s - %(levelname)s - %(message)s')
-_handler = logging.StreamHandler()
-_handler.setFormatter(_formatter)
 version = __version__
-log = logging.getLogger()
+
+log = logging.getLogger("SpatialPy")
 log.setLevel(logging.WARNING)
-log.addHandler(_handler)
+log.propagate = False
+
+if not log.handlers:
+    _formatter = logging.Formatter('%(asctime)s - %(name)s - %(levelname)s - %(message)s')
+
+    _handler = logging.StreamHandler()
+    _handler.setFormatter(_formatter)
+
+    log.addHandler(_handler)
 
 __all__ = [s for s in dir() if not s.startswith('_')]

From 8dcd124b25ab6af03db7848740d19405f71445a7 Mon Sep 17 00:00:00 2001
From: Bryan Rumsey 
Date: Mon, 30 Jan 2023 10:20:28 -0500
Subject: [PATCH 21/30] Fixed warning messages for approx_rc value of 0.

---
 spatialpy/core/lattice.py | 4 ++--
 1 file changed, 2 insertions(+), 2 deletions(-)

diff --git a/spatialpy/core/lattice.py b/spatialpy/core/lattice.py
index 9724ad62..2164adb2 100644
--- a/spatialpy/core/lattice.py
+++ b/spatialpy/core/lattice.py
@@ -320,7 +320,7 @@ def apply(self, domain, geometry, transform=None, **kwargs):
 
             if approx_rc == 0:
                 from spatialpy.core import log # pylint: disable=import-outside-toplevel
-                msg = f"Approximation of particles for the layer at radius {radius} is 0."
+                msg = f"Approximation of particles for the layer at radius {radius} is 0. "
                 msg += "Consider increasing the radius or increasing the radial spacing (deltas)"
                 log.warning(msg)
             else:
@@ -464,7 +464,7 @@ def apply(self, domain, geometry, transform=None, **kwargs):
 
             if approx_rc == 0:
                 from spatialpy.core import log # pylint: disable=import-outside-toplevel
-                msg = f"Approximation of particles for the layer at radius {radius} is 0."
+                msg = f"Approximation of particles for the layer at radius {radius} is 0. "
                 msg += "Consider increasing the radius or increasing the radial spacing (deltas)"
                 log.warning(msg)
             else:

From c9673b401830215327166679a7dcd3928e94f222 Mon Sep 17 00:00:00 2001
From: Bryan Rumsey 
Date: Mon, 30 Jan 2023 14:37:23 -0500
Subject: [PATCH 22/30] Added flag to allow all types when executing compile
 prep.

---
 spatialpy/core/domain.py |  7 ++++---
 spatialpy/core/model.py  | 10 +++++-----
 2 files changed, 9 insertions(+), 8 deletions(-)

diff --git a/spatialpy/core/domain.py b/spatialpy/core/domain.py
index f7afc481..754a99b3 100644
--- a/spatialpy/core/domain.py
+++ b/spatialpy/core/domain.py
@@ -474,7 +474,7 @@ def closest_vertex(self, point):
                 min_vtx = i
         return min_vtx
 
-    def compile_prep(self):
+    def compile_prep(self, allow_all_types=False):
         """
         Generate the domains list of type ids and check for invalid type_ids and rho values
         in preperation of compiling the simulation files.
@@ -483,8 +483,9 @@ def compile_prep(self):
         """
         self.apply_actions()
 
-        if self.type_id.tolist().count("type_UnAssigned") > 0:
-            raise DomainError("Particles must be assigned a type_id.")
+        if not allow_all_types:
+            if self.type_id.tolist().count("type_UnAssigned") > 0:
+                raise DomainError("Particles must be assigned a type_id.")
         if numpy.count_nonzero(self.rho) < len(self.rho):
             raise DomainError("Rho must be a positive value.")
 
diff --git a/spatialpy/core/model.py b/spatialpy/core/model.py
index 25353e31..f5fe3687 100644
--- a/spatialpy/core/model.py
+++ b/spatialpy/core/model.py
@@ -447,7 +447,7 @@ def get_element(self, name):
             return self.get_data_function(name)
         raise ModelError(f"{self.name} does not contain an element named {name}.")
 
-    def add_domain(self, domain):
+    def add_domain(self, domain, allow_all_types=False):
         """
         Add a spatial domain to the model
 
@@ -461,7 +461,7 @@ def add_domain(self, domain):
                 "Unexpected parameter for add_domain. Parameter must be of type SpatialPy.Domain."
             )
 
-        domain.compile_prep()
+        domain.compile_prep(allow_all_types=allow_all_types)
         self.domain = domain
         return domain
 
@@ -766,7 +766,7 @@ def delete_all_reactions(self):
         self.listOfReactions.clear()
         self._listOfReactions.clear()
 
-    def get_reaction(self, rname):
+    def get_reaction(self, name):
         """
         Returns a reaction object by name.
 
@@ -979,7 +979,7 @@ def timespan(self, time_span, timestep_size=None):
         else:
             self.tspan = TimeSpan(time_span, timestep_size=timestep_size)
 
-    def compile_prep(self):
+    def compile_prep(self, allow_all_types=False):
         """
         Make sure all paramters are evaluated to scalars, update the models diffusion restrictions,
         create the models expression utility, and generate the domain list of type ids in preperation
@@ -997,7 +997,7 @@ def compile_prep(self):
 
         if self.domain is None:
             raise ModelError("The model's domain is not set.  Use 'add_domain()'.")
-        self.domain.compile_prep()
+        self.domain.compile_prep(allow_all_types=allow_all_types)
         
         self.__update_diffusion_restrictions()
         self.__apply_initial_conditions()

From 72ec726590dacc049fd9a06e7a6183778d97f3f0 Mon Sep 17 00:00:00 2001
From: Bryan Rumsey 
Date: Mon, 30 Jan 2023 15:14:44 -0500
Subject: [PATCH 23/30] Added handler for math errors for cartesian lattices.

---
 spatialpy/core/lattice.py | 22 ++++++++++++++++++++--
 1 file changed, 20 insertions(+), 2 deletions(-)

diff --git a/spatialpy/core/lattice.py b/spatialpy/core/lattice.py
index 2164adb2..b9c5f5f6 100644
--- a/spatialpy/core/lattice.py
+++ b/spatialpy/core/lattice.py
@@ -158,8 +158,9 @@ def __add_point(self, domain, geometry, transform, point, count, kwargs):
             count += 1
         return count
 
-    def __generate_z(self, domain, geometry, transform, x, y, count, kwargs):
+    def __generate_z(self, domain, geometry, transform, x, y, count, z_digits, kwargs):
         for z in numpy.arange(self.zmin, self.zmax + self.deltaz, self.deltaz):
+            z = round(z, z_digits)
             count = self.__add_point(domain, geometry, transform, [x, y, z], count, kwargs)
         return count
 
@@ -190,14 +191,31 @@ def apply(self, domain, geometry, transform=None, **kwargs):
         if transform is not None and not callable(transform):
             raise LatticeError("transform must be a function.")
 
+        x_digits = max(
+            len(str(self.deltax).split(".")[1]) if "." in str(self.deltax) else 0,
+            len(str(self.xmin).split(".")[1]) if "." in str(self.xmin) else 0,
+            len(str(self.xmax).split(".")[1]) if "." in str(self.xmax) else 0
+        )
+        y_digits = max(
+            len(str(self.deltay).split(".")[1]) if "." in str(self.deltay) else 0,
+            len(str(self.ymin).split(".")[1]) if "." in str(self.ymin) else 0,
+            len(str(self.ymax).split(".")[1]) if "." in str(self.ymax) else 0
+        )
+        z_digits = max(
+            len(str(self.deltaz).split(".")[1]) if "." in str(self.deltaz) else 0,
+            len(str(self.zmin).split(".")[1]) if "." in str(self.zmin) else 0,
+            len(str(self.zmax).split(".")[1]) if "." in str(self.zmax) else 0
+        )
         count = 0
         for x in numpy.arange(self.xmin, self.xmax + self.deltax, self.deltax):
+            x = round(x, x_digits)
             for y in numpy.arange(self.ymin, self.ymax + self.deltay, self.deltay):
+                y = round(y, y_digits)
                 if self.deltaz == 0:
                     z = self.center[2]
                     count = self.__add_point(domain, geometry, transform, [x, y, z], count, kwargs)
                 else:
-                    count = self.__generate_z(domain, geometry, transform, x, y, count, kwargs)
+                    count = self.__generate_z(domain, geometry, transform, x, y, count, z_digits, kwargs)
         self._update_limits(domain)
         if 'vol' not in kwargs:
             offset = len(domain.vertices) - count

From 7b56d1ccd6194375c39bd5f3f23b37b5076a8bf6 Mon Sep 17 00:00:00 2001
From: "github-actions[bot]"
 <41898282+github-actions[bot]@users.noreply.github.com>
Date: Tue, 31 Jan 2023 18:48:18 +0000
Subject: [PATCH 24/30] Latest docs build.

---
 docs/build/html/.doctrees/environment.pickle  | Bin 748960 -> 748887 bytes
 .../html/_modules/spatialpy/core/domain.html  |   1 -
 .../html/_modules/spatialpy/core/result.html  |   4 ++--
 3 files changed, 2 insertions(+), 3 deletions(-)

diff --git a/docs/build/html/.doctrees/environment.pickle b/docs/build/html/.doctrees/environment.pickle
index 13fe8ab1d65a0c76c5f2ab3f9384a242663bc429..27d7b46a0a3cdd357febaaf59507bf1998aae84d 100644
GIT binary patch
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zL-GYX$LI8`I~s(~kBhqEV|#EXK7D83dAQ%tnuRtuoc~u>E;H22;H>$jQ;Lgx*Pp3t
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SSy0h8psBTV!|d4;Q~w|DsW3PI

diff --git a/docs/build/html/_modules/spatialpy/core/domain.html b/docs/build/html/_modules/spatialpy/core/domain.html
index f6d4b923..4237e24b 100644
--- a/docs/build/html/_modules/spatialpy/core/domain.html
+++ b/docs/build/html/_modules/spatialpy/core/domain.html
@@ -1130,7 +1130,6 @@ 
    Source code for spatialpy.core.domain
     
         if return_plotly_figure:
             return fig
-        # init_notebook_mode(connected=True)
         init_notebook_mode()
         iplot(fig)
         return
    
diff --git a/docs/build/html/_modules/spatialpy/core/result.html b/docs/build/html/_modules/spatialpy/core/result.html
index de1aca0c..d6232803 100644
--- a/docs/build/html/_modules/spatialpy/core/result.html
+++ b/docs/build/html/_modules/spatialpy/core/result.html
@@ -677,7 +677,7 @@ 
    Source code for spatialpy.core.result
     
         if return_plotly_figure:
             return fig
-        init_notebook_mode(connected=True)
+        init_notebook_mode()
         iplot(fig)
    
 
 
    [docs]    def get_property(self, property_name, timepoints=None):
@@ -976,7 +976,7 @@ 
    Source code for spatialpy.core.result
     
         if return_plotly_figure:
             return fig
-        init_notebook_mode(connected=True)
+        init_notebook_mode()
         iplot(fig)
    
 
 
    [docs]    def export_to_csv(self, folder_name=None):

From 6d56050f7a2e673bbf4163ddfd26eefc3ccf66cd Mon Sep 17 00:00:00 2001
From: Bryan Rumsey 
Date: Tue, 31 Jan 2023 15:27:36 -0500
Subject: [PATCH 25/30] Fixed issues with removing multiple particles from the
 domain.

---
 spatialpy/core/domain.py | 24 +++++++++++++-----------
 1 file changed, 13 insertions(+), 11 deletions(-)

diff --git a/spatialpy/core/domain.py b/spatialpy/core/domain.py
index 754a99b3..8bbf22ec 100644
--- a/spatialpy/core/domain.py
+++ b/spatialpy/core/domain.py
@@ -388,17 +388,19 @@ def apply_remove_action(self, action):
 
         # remove the particles that fall within the defined region
         on_boundary = self.find_boundary_points(update=True)
-        for v_ndx, vertex in enumerate(self.vertices):
-            if action['geometry'].inside(vertex, on_boundary[v_ndx]):
-                self.vertices = numpy.delete(self.vertices, v_ndx, 0)
-                self.type_id = numpy.delete(self.type_id, v_ndx, 0)
-                self.vol = numpy.delete(self.vol, v_ndx)
-                self.mass = numpy.delete(self.mass, v_ndx)
-                self.rho = numpy.delete(self.rho, v_ndx)
-                self.nu = numpy.delete(self.nu, v_ndx)
-                self.c = numpy.delete(self.c, v_ndx)
-                self.fixed = numpy.delete(self.fixed, v_ndx)
-                self.on_boundary = numpy.delete(self.on_boundary, v_ndx)
+        geometry = action['geometry']
+        indices = [v_ndx for v_ndx, vertex in enumerate(self.vertices) if geometry.inside(vertex, on_boundary[v_ndx])]
+        indices.reverse()
+        for v_ndx in indices:
+            self.vertices = numpy.delete(self.vertices, v_ndx, 0)
+            self.type_id = numpy.delete(self.type_id, v_ndx, 0)
+            self.vol = numpy.delete(self.vol, v_ndx)
+            self.mass = numpy.delete(self.mass, v_ndx)
+            self.rho = numpy.delete(self.rho, v_ndx)
+            self.nu = numpy.delete(self.nu, v_ndx)
+            self.c = numpy.delete(self.c, v_ndx)
+            self.fixed = numpy.delete(self.fixed, v_ndx)
+            self.on_boundary = numpy.delete(self.on_boundary, v_ndx)
 
     def apply_set_action(self, action):
         """

From 44f4df71b15b85e8ba996a9082c5e41125b2a354 Mon Sep 17 00:00:00 2001
From: Josh C 
Date: Thu, 2 Feb 2023 16:42:37 -0500
Subject: [PATCH 26/30] Update file extensions in SConscript files

---
 .../ssa_sdpd-c-simulation-engine/src/SConscript      | 12 ++++++------
 1 file changed, 6 insertions(+), 6 deletions(-)

diff --git a/spatialpy/solvers/c_base/ssa_sdpd-c-simulation-engine/src/SConscript b/spatialpy/solvers/c_base/ssa_sdpd-c-simulation-engine/src/SConscript
index 77f1f019..2c08890a 100644
--- a/spatialpy/solvers/c_base/ssa_sdpd-c-simulation-engine/src/SConscript
+++ b/spatialpy/solvers/c_base/ssa_sdpd-c-simulation-engine/src/SConscript
@@ -1,14 +1,14 @@
 Import('env')
 libspatialpy_core = env.Object([
-    'count_cores.c',
-    'model.c',
+    'count_cores.cpp',
+    'model.cpp',
     'NRMConstant_v5.cpp',
-    'output.c',
+    'output.cpp',
     'particle.cpp',
-    'pthread_barrier.c',
-    'read_lammps_input_file.c',
+    'pthread_barrier.cpp',
+    'read_lammps_input_file.cpp',
     'simulate.cpp',
     'simulate_rdme.cpp',
-    'simulate_threads.c'
+    'simulate_threads.cpp'
 ])
 Return('libspatialpy_core')

From 3c79cdfcd428a488a90a122e616b6865d965dd27 Mon Sep 17 00:00:00 2001
From: Josh C 
Date: Thu, 2 Feb 2023 16:48:47 -0500
Subject: [PATCH 27/30] Delete now-dead Makefiles

---
 .../build/Makefile                            |  36 ------
 .../external/ANN/src/Makefile.spatialpy       | 118 ------------------
 2 files changed, 154 deletions(-)
 delete mode 100644 spatialpy/solvers/c_base/ssa_sdpd-c-simulation-engine/build/Makefile
 delete mode 100755 spatialpy/solvers/c_base/ssa_sdpd-c-simulation-engine/external/ANN/src/Makefile.spatialpy

diff --git a/spatialpy/solvers/c_base/ssa_sdpd-c-simulation-engine/build/Makefile b/spatialpy/solvers/c_base/ssa_sdpd-c-simulation-engine/build/Makefile
deleted file mode 100644
index f5c9d0d5..00000000
--- a/spatialpy/solvers/c_base/ssa_sdpd-c-simulation-engine/build/Makefile
+++ /dev/null
@@ -1,36 +0,0 @@
-CC = gcc
-C++ = g++
-CFLAGS = -c -std=c++14 -Wall -O3
-SIMFLAGS = -l. -std=c++14 -Wall -O3
-LFLAGS = -pthread -lm
-#INCDIR = "$(ROOTINC)/include/" "$(ROOTINC)/external/" "$(ROOTINC)/external/ANN/include/"
-#INCDIRPARAMS = $(INCDIR:%=-I%)
-INCDIRPARAMS  = -I$(ROOTINC)/include/ -I$(ROOTINC)/external/ -I$(ROOTINC)/external/ANN/include/
-OBJ = NRMConstant_v5.o particle.o simulate.o count_cores.o output.o simulate_rdme.o simulate_threads.o model.o pthread_barrier.o
-ANNOBJECTS = ANN.o brute.o kd_tree.o kd_util.o kd_split.o \
-	kd_dump.o kd_search.o kd_pr_search.o kd_fix_rad_search.o \
-	bd_tree.o bd_search.o bd_pr_search.o bd_fix_rad_search.o \
-	perf.o
-
-
-.PHONY: all
-
-all: ssa_sdpd
-
-
-CORE: $(OBJ)
-#this is now called directly, before this make command, in solver.py
-#	make -d -f $(ROOTINC_ESC)/external/ANN/src/Makefile.spatialpy ROOTINC=$(ROOTINC_ESC)
-
-main.o:
-	$(C++) -c $(GPROFFLAG) $(GDB_FLAG) -o main.o $(MODEL) $(INCDIRPARAMS) $(CFLAGS)
-
-%.o: $(ROOT)/src/%.cpp
-	$(C++) -c $(GPROFFLAG) $(GDB_FLAG) -o $@ "$<" $(INCDIRPARAMS) $(CFLAGS)
-
-%.o: $(ROOT)/src/%.c
-	$(CC) -c $(GPROFFLAG) $(GDB_FLAG) -o $@ "$<" $(INCDIRPARAMS) $(CFLAGS)
-
-ssa_sdpd: main.o 
-	$(C++) $(GPROFFLAG) $(GDB_FLAG) -o ssa_sdpd $(addprefix $(COREDIR)/,$(OBJ))  main.o $(addprefix $(COREDIR)/,$(ANNOBJECTS)) $(LFLAGS)
-
diff --git a/spatialpy/solvers/c_base/ssa_sdpd-c-simulation-engine/external/ANN/src/Makefile.spatialpy b/spatialpy/solvers/c_base/ssa_sdpd-c-simulation-engine/external/ANN/src/Makefile.spatialpy
deleted file mode 100755
index 027ed9ac..00000000
--- a/spatialpy/solvers/c_base/ssa_sdpd-c-simulation-engine/external/ANN/src/Makefile.spatialpy
+++ /dev/null
@@ -1,118 +0,0 @@
-#-----------------------------------------------------------------------------
-# Makefile for ANN library
-#----------------------------------------------------------------------
-# Copyright (c) 1997-2005 University of Maryland and Sunil Arya and
-# David Mount.  All Rights Reserved.
-# 
-# This software and related documentation is part of the Approximate
-# Nearest Neighbor Library (ANN).  This software is provided under
-# the provisions of the Lesser GNU Public License (LGPL).  See the
-# file ../ReadMe.txt for further information.
-# 
-# The University of Maryland (U.M.) and the authors make no
-# representations about the suitability or fitness of this software for
-# any purpose.  It is provided "as is" without express or implied
-# warranty.
-#----------------------------------------------------------------------
-# History:
-#	Revision 0.1  03/04/98
-#		Initial release
-#	Revision 1.0  04/01/05
-#		Renamed files from .cc to .cpp for Microsoft Visual C++
-#		Added kd_dump.cpp
-#	Revision 1.1  05/03/05
-#		Added kd_fix_rad_search.cpp and bd_fix_rad_search.cpp
-#----------------------------------------------------------------------
-
-#-----------------------------------------------------------------------------
-# Some basic definitions:
-#		BASEDIR		where include, src, lib, ... are
-#		INCLIB		include directory
-#		LIBLIB		library directory
-#-----------------------------------------------------------------------------
-BASEDIR	= ..
-C++ = g++
-CFLAGS = -c -std=c++14 -Wall -O3 -g
-INCDIR = $(ROOTINC)/external/ANN/include/
-LIBDIR	= $(BASEDIR)/lib
-
-SOURCES = ANN.cpp brute.cpp kd_tree.cpp kd_util.cpp kd_split.cpp \
-	kd_dump.cpp kd_search.cpp kd_pr_search.cpp kd_fix_rad_search.cpp \
-	bd_tree.cpp bd_search.cpp bd_pr_search.cpp bd_fix_rad_search.cpp \
-	perf.cpp
-
-HEADERS = kd_tree.h kd_split.h kd_util.h kd_search.h \
-	kd_pr_search.h kd_fix_rad_search.h perf.h pr_queue.h pr_queue_k.h
-
-OBJECTS = $(SOURCES:.cpp=.o)
-
-#-----------------------------------------------------------------------------
-# Make the library
-#-----------------------------------------------------------------------------
-
-default: spatialpy
-
-targets: $(LIBDIR)/$(ANNLIB)
-
-spatialpy: $(OBJECTS)
-
-$(LIBDIR)/$(ANNLIB): $(OBJECTS)
-	$(MAKELIB) $(ANNLIB) $(OBJECTS)
-	$(RANLIB) $(ANNLIB)
-	mv $(ANNLIB) $(LIBDIR)
-
-#-----------------------------------------------------------------------------
-# Make object files
-#-----------------------------------------------------------------------------
-
-ANN.o: $(ROOTINC)/external/ANN/src/ANN.cpp
-	$(C++) -c -I$(INCDIR) $(CFLAGS) $(ROOTINC)/external/ANN/src/ANN.cpp
-
-brute.o: $(ROOTINC)/external/ANN/src/brute.cpp
-	$(C++) -c -I$(INCDIR) $(CFLAGS) $(ROOTINC)/external/ANN/src/brute.cpp
-
-kd_tree.o: $(ROOTINC)/external/ANN/src/kd_tree.cpp
-	$(C++) -c -I$(INCDIR) $(CFLAGS) $(ROOTINC)/external/ANN/src/kd_tree.cpp
-
-kd_util.o: $(ROOTINC)/external/ANN/src/kd_util.cpp
-	$(C++) -c -I$(INCDIR) $(CFLAGS) $(ROOTINC)/external/ANN/src/kd_util.cpp
-
-kd_split.o: $(ROOTINC)/external/ANN/src/kd_split.cpp
-	$(C++) -c -I$(INCDIR) $(CFLAGS) $(ROOTINC)/external/ANN/src/kd_split.cpp
-
-kd_search.o: $(ROOTINC)/external/ANN/src/kd_search.cpp
-	$(C++) -c -I$(INCDIR) $(CFLAGS) $(ROOTINC)/external/ANN/src/kd_search.cpp
-
-kd_pr_search.o: $(ROOTINC)/external/ANN/src/kd_pr_search.cpp
-	$(C++) -c -I$(INCDIR) $(CFLAGS) $(ROOTINC)/external/ANN/src/kd_pr_search.cpp
-
-kd_fix_rad_search.o: $(ROOTINC)/external/ANN/src/kd_fix_rad_search.cpp
-	$(C++) -c -I$(INCDIR) $(CFLAGS) $(ROOTINC)/external/ANN/src/kd_fix_rad_search.cpp
-
-kd_dump.o: $(ROOTINC)/external/ANN/src/kd_dump.cpp
-	$(C++) -c -I$(INCDIR) $(CFLAGS) $(ROOTINC)/external/ANN/src/kd_dump.cpp
-
-bd_tree.o: $(ROOTINC)/external/ANN/src/bd_tree.cpp
-	$(C++) -c -I$(INCDIR) $(CFLAGS) $(ROOTINC)/external/ANN/src/bd_tree.cpp
-
-bd_search.o: $(ROOTINC)/external/ANN/src/bd_search.cpp
-	$(C++) -c -I$(INCDIR) $(CFLAGS) $(ROOTINC)/external/ANN/src/bd_search.cpp
-
-bd_pr_search.o: $(ROOTINC)/external/ANN/src/bd_pr_search.cpp
-	$(C++) -c -I$(INCDIR) $(CFLAGS) $(ROOTINC)/external/ANN/src/bd_pr_search.cpp
-
-bd_fix_rad_search.o: $(ROOTINC)/external/ANN/src/bd_fix_rad_search.cpp
-	$(C++) -c -I$(INCDIR) $(CFLAGS) $(ROOTINC)/external/ANN/src/bd_fix_rad_search.cpp
-
-perf.o: $(ROOTINC)/external/ANN/src/perf.cpp
-	$(C++) -c -I$(INCDIR) $(CFLAGS) $(ROOTINC)/external/ANN/src/perf.cpp
-
-#-----------------------------------------------------------------------------
-# Cleaning
-#-----------------------------------------------------------------------------
-
-clean:
-	-rm -f *.o core
-
-realclean: clean
-

From 2c403191961344c2938a960f8c64c1f1b88640c5 Mon Sep 17 00:00:00 2001
From: Brian Drawert 
Date: Wed, 8 Feb 2023 15:57:12 -0800
Subject: [PATCH 28/30] Fixed compile to work on Linux

---
 .../c_base/ssa_sdpd-c-simulation-engine/build/SConstruct        | 2 +-
 .../solvers/c_base/ssa_sdpd-c-simulation-engine/src/SConscript  | 1 -
 spatialpy/solvers/solver.py                                     | 2 +-
 3 files changed, 2 insertions(+), 3 deletions(-)

diff --git a/spatialpy/solvers/c_base/ssa_sdpd-c-simulation-engine/build/SConstruct b/spatialpy/solvers/c_base/ssa_sdpd-c-simulation-engine/build/SConstruct
index e77b415e..92b25a22 100644
--- a/spatialpy/solvers/c_base/ssa_sdpd-c-simulation-engine/build/SConstruct
+++ b/spatialpy/solvers/c_base/ssa_sdpd-c-simulation-engine/build/SConstruct
@@ -31,4 +31,4 @@ core = SConscript(f'{root_dir}/src/SConscript', variant_dir=core_dir, duplicate=
 
 env.StaticLibrary(f'{core_dir}/lib/spatialpy-core', core)
 env.StaticLibrary(f'{core_dir}/lib/ANN', ann)
-env.Program('ssa_sdpd', model, LIBS=['spatialpy-core', 'ANN'])
+env.Program('ssa_sdpd.exe', model, LIBS=['spatialpy-core', 'ANN', 'pthread'])
diff --git a/spatialpy/solvers/c_base/ssa_sdpd-c-simulation-engine/src/SConscript b/spatialpy/solvers/c_base/ssa_sdpd-c-simulation-engine/src/SConscript
index 2c08890a..c4a9a3c0 100644
--- a/spatialpy/solvers/c_base/ssa_sdpd-c-simulation-engine/src/SConscript
+++ b/spatialpy/solvers/c_base/ssa_sdpd-c-simulation-engine/src/SConscript
@@ -6,7 +6,6 @@ libspatialpy_core = env.Object([
     'output.cpp',
     'particle.cpp',
     'pthread_barrier.cpp',
-    'read_lammps_input_file.cpp',
     'simulate.cpp',
     'simulate_rdme.cpp',
     'simulate_threads.cpp'
diff --git a/spatialpy/solvers/solver.py b/spatialpy/solvers/solver.py
index c3c544b0..c884a6f8 100644
--- a/spatialpy/solvers/solver.py
+++ b/spatialpy/solvers/solver.py
@@ -67,7 +67,7 @@ def __init__(self, model, debug_level=0):
         self.build_dir = None
         self.propfilename = None
         self.prop_file_name = None
-        self.executable_name = 'ssa_sdpd'
+        self.executable_name = 'ssa_sdpd.exe'
         self.h = None  # basis function width
 
         self.spatialpy_root = os.path.dirname(

From 279f724b0ad2e43a6b794c7ab510956e46fe7bd6 Mon Sep 17 00:00:00 2001
From: "github-actions[bot]"
 <41898282+github-actions[bot]@users.noreply.github.com>
Date: Thu, 9 Feb 2023 18:16:05 +0000
Subject: [PATCH 29/30] Latest docs build.

---
 docs/build/html/.doctrees/environment.pickle  | Bin 748887 -> 748146 bytes
 .../_modules/spatialpy/solvers/solver.html    |  49 ++++++------------
 2 files changed, 17 insertions(+), 32 deletions(-)

diff --git a/docs/build/html/.doctrees/environment.pickle b/docs/build/html/.doctrees/environment.pickle
index 27d7b46a0a3cdd357febaaf59507bf1998aae84d..b014c2492533155e5e9e57525e3e289a49557d77 100644
GIT binary patch
delta 22575
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zxG&SzA!xFaU9BL!7$F9%YO;pe1l8Source code for spatialpy.solvers.solver
    •  import time
 import getpass
 import re
+import sys
 
 import numpy
 
@@ -161,7 +162,7 @@ 
    Source code for spatialpy.solvers.solver
             self.build_dir = None
         self.propfilename = None
         self.prop_file_name = None
-        self.executable_name = 'ssa_sdpd'
+        self.executable_name = 'ssa_sdpd.exe'
         self.h = None  # basis function width
 
         self.spatialpy_root = os.path.dirname(
@@ -565,51 +566,35 @@ 
    Source code for spatialpy.solvers.solver
             self.__create_propensity_file(stoich_matrix, dep_graph, file_name=self.prop_file_name)
 
         # Build the solver
-        for make_exe_location in ["make", "mingw32-make"]:
-            make_exe = shutil.which("make")
-            if make_exe is not None:
-                break
-        if make_exe is None:
-            raise SimulationError("Make executable could not be found")
-        makefile = self.spatialpy_rootdir+'/build/Makefile'
-        makefile_ann = self.spatialpy_rootdir+'/external/ANN/src/Makefile.spatialpy'
-
-        cmd_ann = [
-            make_exe, '-d', '-C', self.core_dir, '-f', makefile_ann,
-            f'ROOTINC={self.spatialpy_rootinc}',
-        ]
-        cmd_core = [
-            make_exe, '-d', '-C', self.core_dir, 'CORE', '-f',  makefile,
+        makefile = self.spatialpy_rootdir+'/build/SConstruct'
+        make_cmd = [
+            sys.executable, "-m", "SCons", f"-C{self.build_dir}", f"-f{makefile}",
             f'ROOT={self.spatialpy_rootparam}',
             f'ROOTINC={self.spatialpy_rootinc}',
-            f'BUILD={self.core_dir}',
-        ]
-        cmd_build = [
-            make_exe, '-d', '-C', self.build_dir, '-I', self.core_dir, '-f', makefile,
-            'ROOT=' + self.spatialpy_rootparam,
-            'ROOTINC=' + self.spatialpy_rootinc,
-            'COREDIR=' + self.core_dir,
-            'MODEL=' + self.prop_file_name, 'BUILD='+self.build_dir
+            f'COREDIR={self.core_dir}',
+            f'MODEL={self.prop_file_name}',
+            f'BUILD={self.build_dir}',
         ]
         if profile:
-            cmd_build.append('GPROFFLAG=-pg')
+            # TODO: add profile/debug targets to SConstruct file
+            make_cmd.append('GPROFFLAG=-pg')
         if profile or debug:
-            cmd_build.append('GDB_FLAG=-g')
+            make_cmd.append('GDB_FLAG=-g')
         if self.debug_level > 1:
-            cmd = " && ".join([*cmd_ann, *cmd_core, *cmd_build])
+            cmd = " ".join(make_cmd)
             print(f"cmd: {cmd}\n")
         try:
-            for cmd_target in [cmd_ann, cmd_core, cmd_build]:
-                result = subprocess.check_output(cmd_target, stderr=subprocess.STDOUT)
-                if self.debug_level > 1:
-                    print(result.stdout.decode("utf-8"))
+            result = subprocess.check_output(make_cmd, stderr=subprocess.STDOUT)
+            if self.debug_level > 1:
+                print(result)
         except subprocess.CalledProcessError as err:
             try:
                 print(err.stdout.decode("utf-8"))
             except Exception:
                 pass
-            raise SimulationError(f"Compilation of solver failed, return_code={result.return_code}")
+            raise SimulationError(f"Compilation of solver failed, return_code={err.returncode}")
         except OSError as err:
+            cmd = " ".join(make_cmd)
             print(f"Error, execution of compilation raised an exception: {err}")
             print(f"cmd = {cmd}")
             raise SimulationError("Compilation of solver failed") from err

From 4da8f83ddf3c04f33176d4402343ac873c972621 Mon Sep 17 00:00:00 2001
From: "github-actions[bot]"
 <41898282+github-actions[bot]@users.noreply.github.com>
Date: Thu, 9 Feb 2023 18:25:16 +0000
Subject: [PATCH 30/30] Latest docs build.

---
 .../.doctrees/classes/spatialpy.core.doctree  | Bin 2042201 -> 2044993 bytes
 docs/build/html/.doctrees/environment.pickle  | Bin 748146 -> 750656 bytes
 .../html/_modules/spatialpy/core/domain.html  |  31 ++--
 .../html/_modules/spatialpy/core/lattice.html | 138 +++++++++++-------
 .../html/_modules/spatialpy/core/model.html   |  10 +-
 docs/build/html/classes/spatialpy.core.html   |  16 +-
 docs/build/html/searchindex.js                |   2 +-
 7 files changed, 119 insertions(+), 78 deletions(-)

diff --git a/docs/build/html/.doctrees/classes/spatialpy.core.doctree b/docs/build/html/.doctrees/classes/spatialpy.core.doctree
index 1a3ecd4643bfef5ed7ba1c76b96fb8e100d4c834..dae0065ff68e52bfd97bed0538c5df48cd45f987 100644
GIT binary patch
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diff --git a/docs/build/html/.doctrees/environment.pickle b/docs/build/html/.doctrees/environment.pickle
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nRK5+dmbtL>B>w)Source code for spatialpy.core.domain
     
         # remove the particles that fall within the defined region
         on_boundary = self.find_boundary_points(update=True)
-        for v_ndx, vertex in enumerate(self.vertices):
-            if action['geometry'].inside(vertex, on_boundary[v_ndx]):
-                self.vertices = numpy.delete(self.vertices, v_ndx, 0)
-                self.type_id = numpy.delete(self.type_id, v_ndx, 0)
-                self.vol = numpy.delete(self.vol, v_ndx)
-                self.mass = numpy.delete(self.mass, v_ndx)
-                self.rho = numpy.delete(self.rho, v_ndx)
-                self.nu = numpy.delete(self.nu, v_ndx)
-                self.c = numpy.delete(self.c, v_ndx)
-                self.fixed = numpy.delete(self.fixed, v_ndx)
-                self.on_boundary = numpy.delete(self.on_boundary, v_ndx)
    
+        geometry = action['geometry']
+        indices = [v_ndx for v_ndx, vertex in enumerate(self.vertices) if geometry.inside(vertex, on_boundary[v_ndx])]
+        indices.reverse()
+        for v_ndx in indices:
+            self.vertices = numpy.delete(self.vertices, v_ndx, 0)
+            self.type_id = numpy.delete(self.type_id, v_ndx, 0)
+            self.vol = numpy.delete(self.vol, v_ndx)
+            self.mass = numpy.delete(self.mass, v_ndx)
+            self.rho = numpy.delete(self.rho, v_ndx)
+            self.nu = numpy.delete(self.nu, v_ndx)
+            self.c = numpy.delete(self.c, v_ndx)
+            self.fixed = numpy.delete(self.fixed, v_ndx)
+            self.on_boundary = numpy.delete(self.on_boundary, v_ndx)
    
 
 
    [docs]    def apply_set_action(self, action):
         """
@@ -569,7 +571,7 @@ 
    Source code for spatialpy.core.domain
                     min_vtx = i
         return min_vtx
    
 
-
    [docs]    def compile_prep(self):
+
    [docs]    def compile_prep(self, allow_all_types=False):
         """
         Generate the domains list of type ids and check for invalid type_ids and rho values
         in preperation of compiling the simulation files.
@@ -578,8 +580,9 @@ 
    Source code for spatialpy.core.domain
             """
         self.apply_actions()
 
-        if self.type_id.tolist().count("type_UnAssigned") > 0:
-            raise DomainError("Particles must be assigned a type_id.")
+        if not allow_all_types:
+            if self.type_id.tolist().count("type_UnAssigned") > 0:
+                raise DomainError("Particles must be assigned a type_id.")
         if numpy.count_nonzero(self.rho) < len(self.rho):
             raise DomainError("Rho must be a positive value.")
 
diff --git a/docs/build/html/_modules/spatialpy/core/lattice.html b/docs/build/html/_modules/spatialpy/core/lattice.html
index ef1dcc76..b5654470 100644
--- a/docs/build/html/_modules/spatialpy/core/lattice.html
+++ b/docs/build/html/_modules/spatialpy/core/lattice.html
@@ -253,8 +253,9 @@ 
    Source code for spatialpy.core.lattice
                 count += 1
         return count
 
-    def __generate_z(self, domain, geometry, transform, x, y, count, kwargs):
+    def __generate_z(self, domain, geometry, transform, x, y, count, z_digits, kwargs):
         for z in numpy.arange(self.zmin, self.zmax + self.deltaz, self.deltaz):
+            z = round(z, z_digits)
             count = self.__add_point(domain, geometry, transform, [x, y, z], count, kwargs)
         return count
 
@@ -285,14 +286,31 @@ 
    Source code for spatialpy.core.lattice
             if transform is not None and not callable(transform):
             raise LatticeError("transform must be a function.")
 
+        x_digits = max(
+            len(str(self.deltax).split(".")[1]) if "." in str(self.deltax) else 0,
+            len(str(self.xmin).split(".")[1]) if "." in str(self.xmin) else 0,
+            len(str(self.xmax).split(".")[1]) if "." in str(self.xmax) else 0
+        )
+        y_digits = max(
+            len(str(self.deltay).split(".")[1]) if "." in str(self.deltay) else 0,
+            len(str(self.ymin).split(".")[1]) if "." in str(self.ymin) else 0,
+            len(str(self.ymax).split(".")[1]) if "." in str(self.ymax) else 0
+        )
+        z_digits = max(
+            len(str(self.deltaz).split(".")[1]) if "." in str(self.deltaz) else 0,
+            len(str(self.zmin).split(".")[1]) if "." in str(self.zmin) else 0,
+            len(str(self.zmax).split(".")[1]) if "." in str(self.zmax) else 0
+        )
         count = 0
         for x in numpy.arange(self.xmin, self.xmax + self.deltax, self.deltax):
+            x = round(x, x_digits)
             for y in numpy.arange(self.ymin, self.ymax + self.deltay, self.deltay):
+                y = round(y, y_digits)
                 if self.deltaz == 0:
                     z = self.center[2]
                     count = self.__add_point(domain, geometry, transform, [x, y, z], count, kwargs)
                 else:
-                    count = self.__generate_z(domain, geometry, transform, x, y, count, kwargs)
+                    count = self.__generate_z(domain, geometry, transform, x, y, count, z_digits, kwargs)
         self._update_limits(domain)
         if 'vol' not in kwargs:
             offset = len(domain.vertices) - count
@@ -403,38 +421,48 @@ 
    Source code for spatialpy.core.lattice
             if transform is not None and not callable(transform):
             raise LatticeError("transform must be a function.")
 
+        digits = max(
+            len(str(self.deltar).split(".")[1]) if "." in str(self.deltar) else 0,
+            len(str(self.radius).split(".")[1]) if "." in str(self.radius) else 0
+        )
         count = 0
         radius = self.radius
         while radius > 0:
             # Calculate the approximate number of particle with the radius
             approx_rc = int(round((4 * radius ** 2) / ((self.deltas / 2) ** 2)))
 
-            # Set constants for the radius
-            p_area = 4 * numpy.pi * radius ** 2 / approx_rc
-            d_a = numpy.sqrt(p_area)
-            m_phi = int(round(numpy.pi * radius / d_a))
-            d_phi = numpy.pi / m_phi
-            d_theta = p_area / d_phi
-
-            for mphi in range(m_phi):
-                phi = numpy.pi * (mphi + 0.5) / m_phi
-                m_theta = int(round(2 * numpy.pi * numpy.sin(phi) / d_phi))
-
-                for mtheta in range(m_theta):
-                    theta = 2 * numpy.pi * mtheta / m_theta
-                    x = radius * numpy.cos(theta) * numpy.sin(phi)
-                    y = radius * numpy.sin(theta) * numpy.sin(phi)
-                    z = radius * numpy.cos(phi)
-                    if geometry.inside((x, y, z), False):
-                        if transform is None:
-                            point = [x, y, z]
-                        else:
-                            point = transform([x, y, z])
-                        if not isinstance(point, numpy.ndarray):
-                            point = numpy.array(point)
-                        domain.add_point(point + self.center, **kwargs)
-                        count += 1
-            radius -= self.deltar
+            if approx_rc == 0:
+                from spatialpy.core import log # pylint: disable=import-outside-toplevel
+                msg = f"Approximation of particles for the layer at radius {radius} is 0. "
+                msg += "Consider increasing the radius or increasing the radial spacing (deltas)"
+                log.warning(msg)
+            else:
+                # Set constants for the radius
+                p_area = 4 * numpy.pi * radius ** 2 / approx_rc
+                d_a = numpy.sqrt(p_area)
+                m_phi = int(round(numpy.pi * radius / d_a))
+                d_phi = numpy.pi / m_phi
+                d_theta = p_area / d_phi
+
+                for mphi in range(m_phi):
+                    phi = numpy.pi * (mphi + 0.5) / m_phi
+                    m_theta = int(round(2 * numpy.pi * numpy.sin(phi) / d_phi))
+
+                    for mtheta in range(m_theta):
+                        theta = 2 * numpy.pi * mtheta / m_theta
+                        x = radius * numpy.cos(theta) * numpy.sin(phi)
+                        y = radius * numpy.sin(theta) * numpy.sin(phi)
+                        z = radius * numpy.cos(phi)
+                        if geometry.inside((x, y, z), False):
+                            if transform is None:
+                                point = [x, y, z]
+                            else:
+                                point = transform([x, y, z])
+                            if not isinstance(point, numpy.ndarray):
+                                point = numpy.array(point)
+                            domain.add_point(point + self.center, **kwargs)
+                            count += 1
+            radius = round(radius - self.deltar, digits)
         if radius == 0 and geometry.inside((0, 0, 0), False):
             point = [0, 0, 0] if transform is None else transform([0, 0, 0])
             if not isinstance(point, numpy.ndarray):
@@ -534,6 +562,10 @@ 
    Source code for spatialpy.core.lattice
             if transform is not None and not callable(transform):
             raise LatticeError("transform must be a function.")
 
+        digits = max(
+            len(str(self.deltar).split(".")[1]) if "." in str(self.deltar) else 0,
+            len(str(self.radius).split(".")[1]) if "." in str(self.radius) else 0
+        )
         count = 0
         h_len = self.length / 2
         xmin = -h_len
@@ -543,28 +575,34 @@ 
    Source code for spatialpy.core.lattice
                 # Calculate the approximate number of particle with the radius
             approx_rc = int(round((2 * radius * self.length) / ((self.deltas / 2) ** 2)))
 
-            p_area = 2 * numpy.pi * radius * self.length / approx_rc
-            d_a = numpy.sqrt(p_area)
-            m_theta = int(round(2 * numpy.pi * radius / d_a))
-            d_theta = 2 * numpy.pi / m_theta
-
-            x = xmin
-            while x <= xmax:
-                for mtheta in range(m_theta):
-                    theta = 2 * numpy.pi * (mtheta + 0.5) / m_theta
-                    y = radius * numpy.cos(theta)
-                    z = radius * numpy.sin(theta)
-                    if geometry.inside((x, y, z), False):
-                        if transform is None:
-                            point = [x, y, z]
-                        else:
-                            point = transform([x, y, z])
-                        if not isinstance(point, numpy.ndarray):
-                            point = numpy.array(point)
-                        domain.add_point(point + self.center, **kwargs)
-                        count += 1
-                x += self.deltas
-            radius -= self.deltar
+            if approx_rc == 0:
+                from spatialpy.core import log # pylint: disable=import-outside-toplevel
+                msg = f"Approximation of particles for the layer at radius {radius} is 0. "
+                msg += "Consider increasing the radius or increasing the radial spacing (deltas)"
+                log.warning(msg)
+            else:
+                p_area = 2 * numpy.pi * radius * self.length / approx_rc
+                d_a = numpy.sqrt(p_area)
+                m_theta = int(round(2 * numpy.pi * radius / d_a))
+                d_theta = 2 * numpy.pi / m_theta
+
+                x = xmin
+                while x <= xmax:
+                    for mtheta in range(m_theta):
+                        theta = 2 * numpy.pi * (mtheta + 0.5) / m_theta
+                        y = radius * numpy.cos(theta)
+                        z = radius * numpy.sin(theta)
+                        if geometry.inside((x, y, z), False):
+                            if transform is None:
+                                point = [x, y, z]
+                            else:
+                                point = transform([x, y, z])
+                            if not isinstance(point, numpy.ndarray):
+                                point = numpy.array(point)
+                            domain.add_point(point + self.center, **kwargs)
+                            count += 1
+                    x += self.deltas
+            radius = round(radius - self.deltar, digits)
         if radius == 0:
             x = xmin
             while x <= xmax:
diff --git a/docs/build/html/_modules/spatialpy/core/model.html b/docs/build/html/_modules/spatialpy/core/model.html
index 8862cfa0..85054149 100644
--- a/docs/build/html/_modules/spatialpy/core/model.html
+++ b/docs/build/html/_modules/spatialpy/core/model.html
@@ -542,7 +542,7 @@ 
    Source code for spatialpy.core.model
                 return self.get_data_function(name)
         raise ModelError(f"{self.name} does not contain an element named {name}.")
    
 
-
    [docs]    def add_domain(self, domain):
+
    [docs]    def add_domain(self, domain, allow_all_types=False):
         """
         Add a spatial domain to the model
 
@@ -556,7 +556,7 @@ 
    Source code for spatialpy.core.model
                     "Unexpected parameter for add_domain. Parameter must be of type SpatialPy.Domain."
             )
 
-        domain.compile_prep()
+        domain.compile_prep(allow_all_types=allow_all_types)
         self.domain = domain
         return domain
    
 
@@ -861,7 +861,7 @@ 
    Source code for spatialpy.core.model
             self.listOfReactions.clear()
         self._listOfReactions.clear()
    
 
-
    [docs]    def get_reaction(self, rname):
+
    [docs]    def get_reaction(self, name):
         """
         Returns a reaction object by name.
 
@@ -1074,7 +1074,7 @@ 
    Source code for spatialpy.core.model
             else:
             self.tspan = TimeSpan(time_span, timestep_size=timestep_size)
    
 
-
    [docs]    def compile_prep(self):
+
    [docs]    def compile_prep(self, allow_all_types=False):
         """
         Make sure all paramters are evaluated to scalars, update the models diffusion restrictions,
         create the models expression utility, and generate the domain list of type ids in preperation
@@ -1092,7 +1092,7 @@ 
    Source code for spatialpy.core.model
     
         if self.domain is None:
             raise ModelError("The model's domain is not set.  Use 'add_domain()'.")
-        self.domain.compile_prep()
+        self.domain.compile_prep(allow_all_types=allow_all_types)
         
         self.__update_diffusion_restrictions()
         self.__apply_initial_conditions()
diff --git a/docs/build/html/classes/spatialpy.core.html b/docs/build/html/classes/spatialpy.core.html
index cc0c1571..6e40f757 100644
--- a/docs/build/html/classes/spatialpy.core.html
+++ b/docs/build/html/classes/spatialpy.core.html
@@ -450,7 +450,7 @@ 
    Submodules
 
    
-compile_prep()[source]
    
+compile_prep(allow_all_types=False)[source]
 
    Generate the domains list of type ids and check for invalid type_ids and rho values
 in preperation of compiling the simulation files.
    
 
    
@@ -1537,7 +1537,7 @@ 
    Submodules
 
    
-add_domain(domain)[source]
    
+add_domain(domain, allow_all_types=False)[source]
 
    Add a spatial domain to the model
    
 
    
 
    Parameters:
    
@@ -1631,7 +1631,7 @@ 
    Submodules
 
    
-compile_prep()[source]
    
+compile_prep(allow_all_types=False)[source]
 
    Make sure all paramters are evaluated to scalars, update the models diffusion restrictions,
 create the models expression utility, and generate the domain list of type ids in preperation
 of compiling the simulation files.
    
@@ -1933,7 +1933,7 @@ 
    Submodules
 
    
-get_reaction(rname)[source]
    
+get_reaction(name)[source]
 
    Returns a reaction object by name.
    
 
    
 
    Parameters:
    
@@ -3779,7 +3779,7 @@ 
    Submodules
 
    
-compile_prep()[source]
    
+compile_prep(allow_all_types=False)[source]
 
    Generate the domains list of type ids and check for invalid type_ids and rho values
 in preperation of compiling the simulation files.
    
 
    
@@ -4489,7 +4489,7 @@ 
    Submodules
 
    
-add_domain(domain)[source]
    
+add_domain(domain, allow_all_types=False)[source]
 
    Add a spatial domain to the model
    
 
    
 
    Parameters:
    
@@ -4583,7 +4583,7 @@ 
    Submodules
 
    
-compile_prep()[source]
    
+compile_prep(allow_all_types=False)[source]
 
    Make sure all paramters are evaluated to scalars, update the models diffusion restrictions,
 create the models expression utility, and generate the domain list of type ids in preperation
 of compiling the simulation files.
    
@@ -4885,7 +4885,7 @@ 
    Submodules
 
    
-get_reaction(rname)[source]
    
+get_reaction(name)[source]
 
    Returns a reaction object by name.
    
 
    
 
    Parameters:
    
diff --git a/docs/build/html/searchindex.js b/docs/build/html/searchindex.js
index ae1c6939..1fbae23b 100644
--- a/docs/build/html/searchindex.js
+++ b/docs/build/html/searchindex.js
@@ -1 +1 @@
-Search.setIndex({"docnames": ["classes/spatialpy", "classes/spatialpy.core", "classes/spatialpy.solvers", "classes/spatialpy.stochss", "index"], "filenames": ["classes/spatialpy.rst", "classes/spatialpy.core.rst", "classes/spatialpy.solvers.rst", "classes/spatialpy.stochss.rst", "index.rst"], "titles": ["spatialpy package", "spatialpy.core package", "spatialpy.solvers package", "spatialpy.stochss package", "Documentation for SpatialPy 1.2.0"], "terms": {"core": [0, 2, 3, 4], "submodul": 0, "boundarycondit": 0, "express": [0, 1, 2], "cleanup": 0, "cleanup_build_fil": [0, 1], "cleanup_core_fil": [0, 1], "cleanup_result_fil": [0, 1], "cleanup_tempfil": [0, 1], "datafunct": 0, "map": [0, 1, 2], "domain": [0, 4], "add_fill_act": [0, 1], "add_point": [0, 1], "add_remove_act": [0, 1], "add_set_act": [0, 1], "apply_act": [0, 1], "apply_fill_act": [0, 1], "apply_remove_act": [0, 1], "apply_set_act": [0, 1], "calculate_vol": [0, 1], "closest_vertex": [0, 1], "compile_prep": [0, 1], "coordin": 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