#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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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
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yes it can be a library of the names (which can be big) or some apply some small simple LM e.g. (by regex of known parts Si, Et, tBu, etc)
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For the regex, I have something like this:
The problem is recognising all the abbreviations that are strings of capital letters, my best idea is just to include a large list in the regex expression. There is also some handling for cases like 'N,N-dimethylaniline' after this regex, so that will work as well.
What do you think about this? Is this too large?
Generic request
#1234 – issue name