ideaconsult / cdk

The Chemistry Development Kit
https://cdk.github.io/
GNU Lesser General Public License v2.1
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added package level documentation for the rinchi package; removed som… #20

Closed uli-f closed 1 year ago

uli-f commented 1 year ago

…e @Ignored test cases in RInChIToReactionTest and added two test cases that deal with the loss of stereochemical information when round-tripping rinchi -> IReaction -> rinchi without rauxinfo