Files
rdkit/Code/GraphMol/FileParsers/testMolWriter.cpp
Greg Landrum 91212a4eb3 A variety of drawing-related changes (#986)
* Fixes #982
also changes bond-wedging algorithm to favor lighter non-ring bonds

* prefer wedging bonds to lower-degree atoms

* Fixes #983

* small fixes
- Fix a problem where a chiral atom is selected to draw a wedge to instead of a ring atom
- Fix a problem where two calls to PrepareMolForDrawing() led to two wedged bonds from an atom.

* Fixes #985

This isn't the most satisfying solution (the wedged bonds are sometimes a bit too large), but it gives reasonable results on the test cases I've tried.
2016-07-25 17:28:41 -04:00

50 KiB