Files
rdkit/Code/GraphMol/catch_graphmol.cpp
Manan Goel 08fb55b56d Fixes #3150 (#3166)
* Fixes #3150
Fixes removeHs removing Hydrides by adding a removeHydrides flag to RemoveHsParameters.
If removeHydrides is false, Hydrogen atoms with formal charge -1 and degree less than or equal to 1 are kept
removeHydrides is kept true by default

* Made suggested changes
Removed extraneous comments and redundant code
Added tests for both ```removeHydrides = true``` and ```removeHydrides = false```
Added tests that ```removeAllHs()``` also removes hydrides
Exposed ```removeHydrides``` parameter to python

* Explicity Added removeHydrides=true in removeAllHs
Corrected typo for removeHydrides

* make formatting consistent

Co-authored-by: Greg Landrum <greg.landrum@gmail.com>
2020-06-09 16:03:26 +02:00

50 KiB