#2748 Substituents are displayed backwards if appearing on the left of the molecule #2753
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I have a problem with the regression tests: On my machine, my new test passes even when the output and the reference pngs are different. I have uploaded the old (incorrect) png to the ref directory - so the cd/ci tests should fail. If they don't fail, then there may be a problem when comparing the rendered pngs for my test. |
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There is something wrong with the regression test, the output (correct) is: whereas the reference (incorrect) is: It is not failing when the SiEt3 becomes Et3Si. Have you seen this problem before or am I doing something wrong? |
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| void MoleculeRenderInternal::_reverseLabelText(const int aid) | |||
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I'm not sure about this function - it is too simple and will corrupt correct names.
e.g. N,N-dimethylaniline will be changed to N-dimethylanilineN,, tBu to But, DIPEA to AEPID
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Thanks for pointing that out, you are correct. Looking at chemdraw, it does reasonably well but gets DIPEA and N,N-dimethylaniline wrong
I guess they have a library of common names and they break the substituent string into these fragments. So we would have to do something similar and implement a larger library. I'm checking on our side if we want to push forward with this.
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Chemdraw: File -> List Nicknames
Generic request
#1234 – issue name