Hi,
I am in the process of migrating some of my own code to CDK 1.5.4 from version
1.4.5.
In the past, I modified SMILESParser by allowing the parsing of my custom
symbols (eg '$') that were not part of the original syntax of SMILES. I used
them to represent transitioning bond orders in reactions for example.
That was easy in v1.4.5 because you could just hard code these extra rules at
the location where other bond order symbols such as '=' and '#' were parsed.
I see that in v1.5.4 the job is taken over by BEAM, and this hard coded part of
symbol parsing is not part of CDK anymore.
Do you see how I can extend the SMILESParser with my own custom symbols?
Regards,
Nick
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