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ideaconsult / cdk

The Chemistry Development Kit
https://cdk.github.io/
GNU Lesser General Public License v2.1
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added test cases to RInChIDecompositionTest, RInChIGeneratorTest and … #15

Closed uli-f closed 1 year ago

uli-f commented 1 year ago

…RInChIToReactionTest

ntk73 commented 1 year ago

@uli-f , Lots of java code changes (code breaks in more than 20 places) must be done after this commit since PR #15 is based on a earlier version of the jna-rinchi. I could do the changes (it will be not so big effort from my side) , or you could submit a new PR

uli-f commented 1 year ago

Let me submit a new PR for this. I'll get on it Sunday or Monday.

There are other issues that I cannot contribute to that easily and your time might be better spend on those. Also, this PR is restricted to tests, so we don't get into each other's way if you continue with something else.

Is that fine with you?

ntk73 commented 1 year ago

Let me submit a new PR for this. I'll get on it Sunday or Monday.

There are other issues that I cannot contribute to that easily and your time might be better spend on those. Also, this PR is restricted to tests, so we don't get into each other's way if you continue with something else.

Is that fine with you?

OK, please make a new PR based on the latest versions of jna-rinchi and cdk-rinchi

uli-f commented 1 year ago

Opened re-based PR #18