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CDMS: Fix off-by-one error, make tests smoother #3298

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Merged
merged 3 commits into from
Apr 23, 2025
Merged

CDMS: Fix off-by-one error, make tests smoother #3298

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66ecd68
fix changelog PR number (git commit -am 'hooray! got a different err…
keflavich Apr 21, 2025
f88364c
update cats, fix off-by-one error for length-6 quantum numbers, and
keflavich Apr 22, 2025
bc759a5
there are 6 new molecules
keflavich Apr 22, 2025
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2 changes: 1 addition & 1 deletion CHANGES.rst
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Original file line number Diff line number Diff line change
Expand Up @@ -22,7 +22,7 @@ alma
linelists.cdms
^^^^^^^^^^^^^^

- Add a keyword to control writing of new species cache files. This is needed to prevent tests from overwriting those files. [#3300]
- Add a keyword to control writing of new species cache files. This is needed to prevent tests from overwriting those files. [#3297]

heasarc
^^^^^^^
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2 changes: 1 addition & 1 deletion astroquery/linelists/cdms/core.py
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Expand Up @@ -425,7 +425,7 @@ def _parse_cat(self, response, *, verbose=False):
'DR': 30,
'ELO': 32,
'GUP': 42,
'TAG': 45,
'TAG': 44,
'QNFMT': 52,
'Q1': 56,
'Q2': 58,
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22 changes: 14 additions & 8 deletions astroquery/linelists/cdms/data/catdir.cat
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Original file line number Diff line number Diff line change
Expand Up @@ -121,9 +121,9 @@
| 28526 | HC15N, v3 = 1 | 69 | 1* | e028526.cat | Dec. 2017 | w028526.cat |
| 28527 | HC15N, v1 = 1 | 62 | 1* | e028527.cat | Dec. 2017 | w028527.cat |
| 28528 | H2NC | 300 | 1* | e028528.cat | Sep. 2021 | |
| 29501 | 13CO | 67 | 2* | e029501.cat | Nov. 2006 | w029501.cat |
| 29501 | 13CO | 67 | 3* | e029501.cat | Mar. 2025 | |
| 29502 | HCND+ | 50 | 1 | e029502.cat | May 2001 | |
| 29503 | C17O | 457 | 1 | e029503.cat | Jan. 2003 | w029503.cat |
| 29503 | C17O | 43 | 2* | e029503.cat | Mar. 2025 | |
| 29504 | HOC+, v2 = 0 | 40 | 1 | e029504.cat | Mar. 2004 | w029504.cat |
| 29505 | HOC+, v2 = 1 | 96 | 1 | e029505.cat | Mar. 2004 | w029505.cat |
| 29506 | N2H+, v = 0 | 47 | 4* | e029506.cat | Apr. 2014 | w029506.cat |
Expand All @@ -144,7 +144,7 @@
| 29521 | SiH+, v = 0 | 20 | 1* | e029521.cat | Oct. 2017 | w029521.cat |
| 29522 | SiH+, v = 1 – 0 | 41 | 1* | e029522.cat | Oct. 2017 | w029522.cat |
| 30501 | H2CO | 7016 | 3* | e030501.cat | Feb. 2017 | w030501.cat |
| 30502 | C18O | 60 | 1 | e030502.cat | June 2001 | w030502.cat |
| 30502 | C18O | 60 | 2* | e030502.cat | Mar. 2025 | |
| 30503 | 13C17O | 442 | 1 | e030503.cat | Jan. 2003 | w030503.cat |
| 30504 | H13CO+ | 46 | 2* | e030504.cat | Oct. 2007 | w030504.cat |
| 30505 | HC17O+ | 34 | 2* | e030505.cat | Feb. 2004 | |
Expand All @@ -165,7 +165,7 @@
| 30520 | NO+, v = 1 – 0, 2 – 1 | 123 | 1* | e030520.cat | Jul. 2023 | |
| 30521 | NO+, v = 2 – 0 | 77 | 1* | e030521.cat | Jul. 2023 | |
| 31501 | HDCO | 5701 | 2* | e031501.cat | Jan. 2016 | w031501.cat |
| 31502 | 13C18O | 195 | 1 | e031502.cat | July 2000 | w031502.cat |
| 31502 | 13C18O | 41 | 2* | e031502.cat | Apr. 2025 | |
| 31503 | H213CO | 2309 | 1 | e031503.cat | May 2000 | |
| 31504 | H2COH+ | 1612 | 2* | e031504.cat | Oct. 2006 | |
| 31505 | CF | 1323 | 1 | e031505.cat | May 2000 | |
Expand Down Expand Up @@ -295,6 +295,8 @@
| 41517 | 13CH3CCH | 1821 | 1* | e041517.cat | Apr. 2020 | |
| 41518 | CaH+ | 18 | 1* | e041518.cat | Jun. 2021 | |
| 41519 | 25MgO, v = 0, 1 | 42 | 1* | e041519.cat | Feb. 2022 | |
| 41520 | CaH, v = 0 | 245 | 1* | e041520.cat | Apr. 2025 | |
| 41521 | CaH, v = 1 | 253 | 1* | e041521.cat | Apr. 2025 | |
| 42501 | H2CCO v = 0 | 2027 | 2 | e042501.cat | Nov. 2003 | |
| 42502 | NaF, v = 0, 1 | 192 | 1 | e042502.cat | Feb. 2003 | |
| 42503 | NCO | 896 | 1 | e042503.cat | July 2003 | |
Expand Down Expand Up @@ -872,6 +874,7 @@
| 62531 | 46TiO, v = 3 | 87 | 1* | e062531.cat | Mar. 2021 | |
| 62532 | c-C3HCCH | 383 | 1* | e062532.cat | May 2021 | |
| 62533 | HC(O)OCHD2 | 35919 | 1* | e062533.cat | Aug. 2022 | |
| 62534 | H2CSO | 2104 | 1* | e062534.cat | Feb. 2025 | |
| 63501 | l-HC4N | 319 | 2 | e063501.cat | Dec. 2004 | |
| 63502 | O13C34S | 99 | 1* | e063502.cat | Apr. 2005 | |
| 63503 | 18O13CS | 99 | 1* | e063503.cat | Apr. 2005 | |
Expand Down Expand Up @@ -953,7 +956,7 @@
| 66517 | Ti18O, v = 1 | 96 | 1* | e066517.cat | Apr. 2021 | |
| 66518 | Ti18O, v = 2 | 96 | 1* | e066518.cat | Apr. 2021 | |
| 66519 | Ti18O, v = 3 | 97 | 1* | e066519.cat | Apr. 2021 | |
| 66520 | c-C5H6 | 11466 | 1* | e066520.cat | May 2021 | |
| 66520 | c-C5H6, v = 0 | 20539 | 2* | e066520.cat | Feb. 2025 | |
| 66521 | CH2DC3N | 520 | 1* | e066521.cat | Jun. 2021 | |
| 66522 | H2NC3N | 2912 | 1* | e066522.cat | Jan. 2024 | |
| 66523 | H2C3Si | 616 | 1* | e066523.cat | Feb. 2024 | |
Expand All @@ -964,9 +967,9 @@
| 67504 | c-C4H4NH | 13110 | 1* | e067504.cat | Jun. 2014 | |
| 67505 | HCCNSi | 52 | 1* | e067505.cat | July 2015 | |
| 67506 | 48TiF | 676 | 1* | e067506.cat | Apr. 2019 | |
| 67507 | c-C5H6-13C1 | 525 | 1* | e067507.cat | Dec. 2021 | |
| 67508 | c-C5H6-13C2 | 976 | 1* | e067508.cat | Dec. 2021 | |
| 67509 | c-C5H6-13C5 | 471 | 1* | e067509.cat | Dec. 2021 | |
| 67507 | c-C5H6-13C1 | 6901 | 2* | e067507.cat | Jan. 2025 | |
| 67508 | c-C5H6-13C2 | 6282 | 2* | e067508.cat | Feb. 2025 | |
| 67509 | c-C5H6-13C5 | 4776 | 2* | e067509.cat | Feb. 2025 | |
| 67510 | c-C5H6-D1 | 1509 | 1* | e067510.cat | Dec. 2021 | |
| 67511 | c-C5H6-D2 | 1563 | 1* | e067511.cat | Dec. 2021 | |
| 67512 | c-C5H6-D5 | 748 | 1* | e067512.cat | Dec. 2021 | |
Expand All @@ -985,6 +988,7 @@
| 68510 | 52CrO | 300 | 1* | e068510.cat | Mar. 2019 | |
| 68511 | NCCNO | 126 | 1* | e068511.cat | Oct. 2021 | |
| 68512 | HNC(CH3)CN | 33995 | 1* | e068512.cat | Sep. 2022 | |
| 68513 | CH2CHCHCO | 10795 | 1* | e068513.cat | Mar. 2025 | |
| 69501 | NC2P | 199 | 1 | e069501.cat | Oct. 2000 | |
| 69502 | C13CCS | 146 | 2* | e069502.cat | June 2013 | |
| 69503 | 13CCCS | 148 | 2* | e069503.cat | June 2013 | |
Expand Down Expand Up @@ -1022,6 +1026,7 @@
| 70514 | NH2CH2CH2CN, conf. II | 43558 | 1* | e070514.cat | Apr. 2020 | |
| 70515 | NCCS | 260 | 1* | e070515.cat | Oct. 2024 | |
| 70516 | c-H2C3S | 474 | 1* | e070516.cat | Jan. 2025 | |
| 70517 | H3C2CHCH2O | 15455 | 1* | e070517.cat | Feb. 2025 | |
| 70601 | 54FeO Ω = 4 | 56 | 1* | e070601.cat | Feb. 2019 | |
| 70602 | 54FeO Ω = 3 | 58 | 1* | e070602.cat | Feb. 2019 | |
| 70603 | 54FeO Ω = 2 | 60 | 1* | e070603.cat | Feb. 2019 | |
Expand All @@ -1040,6 +1045,7 @@
| 71513 | H2C13CCS | 303 | 1* | e071513.cat | May 2022 | |
| 71514 | H213CC2S | 322 | 1* | e071514.cat | June 2022 | |
| 71515 | HDC3S | 372 | 1* | e071515.cat | June 2022 | |
| 71516 | CH3CH(OH)CN | 20584 | 1* | e071516.cat | Mar. 2025 | |
| 72501 | CaS, v = 0, 1 | 222 | 1* | e072501.cat | Feb. 2010 | |
| 72502 | s-cis-H2C=CHCOOH | 23836 | 2* | e072502.cat | Dec. 2021 | |
| 72503 | s-trans-H2C=CHCOOH | 23452 | 2* | e072503.cat | Dec. 2021 | |
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