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kienerj / pycdxml

Tools to automatically convert and proccess cdx and cdxml files in python
GNU General Public License v3.0
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Testcases for implicit H and for crossed double bonds #23

Closed baoilleach closed 1 year ago

baoilleach commented 1 year ago

It's a two-in-one PR - hope this is okay:

  1. A testcase for PR #21, Issue #20
  2. A testcase for handling crossed double bonds - note: this will not pass with the current version of RDKit, hence the version check