Greg Landrum 3e3b7b8693 Support stereo for double bonds in rings from CXSMILES (#5636) ...

* initial support for wiggly and wedged bonds in cxsmiles
add CX_ALL_BUT_COORDS convenience option to CXSMILES writer

* move ClearSingleBondDirFlags to MolOps

* do a better job of handling the wiggly bonds

* mark 3D conformers from CXSMILES

* remove some extraneous printing

* test wD as well

* remove non-applicable test

* basic tests (not passing) for parsing t/c/ctu

* remove test for unimplemented feature

* basic tests (not passing) for parsing t/c/ctu

* backup

* parsing works

* Fixes #5585

* cleanup, use the constant instead of hardcoding

* write ctu block

* document new cxsmiles additions

* more stereo info in the docs

* changes in response to review

* this passes all tests
Need to still think a bit about whether the "basic writing" test results are actually correct

* happier with those results

2022-10-20 07:44:11 +02:00

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