swap carrier order in DoubleBondStereochemistry::create to satisfy bond alignment constraint - #1226
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johnmay merged 5 commits intoOct 16, 2025
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…ts for strict carrier swap behavior in DoubleBondStereochemistry::create; change DoubleBondStereochemistry::testMap_Map_Map to reflect changes in DoubleBondStereochemistry::create
…to process carriers; move carrier swap logic from DoubleBondStereochemistry::create to overridden DoubleBondStereochemistry::processCarriers method
johnmay
reviewed
Sep 12, 2025
| @Override | ||
| protected IBond[] processCarriers(IBond focus, IBond[] carriers) { | ||
| // Ensure that the constraint carrier[0] connected to focus.getBegin() is satisfied. | ||
| if (carriers[0].getOther(focus.getBegin()) == null) { |
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carriers[0].contains(focus.getBegin())
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Looks good and simple fix but tests are complaining |
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Will have a look at failing tests now that we are happy with the approach. |
…ment-fix Some additional null checks and fix the test assertion now the order …
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@johnmay I've been pretty busy the last few weeks. Thanks for fixing this up, seems good to go now! |
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DoubleBondStereochemistry::newDoubleBondStereochemistry::newDoubleBondStereochemistry::testMap_Map_Mapto reflect changes inDoubleBondStereochemistry::create