Files
rdkit/Code/GraphMol/MolOps.cpp
Greg Landrum e8c46ca2a9 Fix/github1810 (#1811)
* Fixes #1810
There's still a problem with stereo atoms (see the commented out test),
but this takes care of the basics and that's up next.

* clean up that last problematic bit.
Still needs all tests to run

* this seems to be a necessary workaround for problems with VS2017.
It's a bit ugly, but shouldn't have any performance impact, so I'm not
going to get too worked up.

* This set of changes alters what we get for some of the InChI test cases.
Adjust for that.
2018-04-11 04:48:16 +02:00

25 KiB