Files
rdkit/Code/GraphMol/QueryBond.cpp
Greg Landrum 4c2a580ad1 Fixes github #4311 (#4312)
* a bit of simple refactoring

* Fixes #4311

- adds getValenceContrib() to QueryBond
- adds hasBondTypeQuery() and hasComplexBondTypeQuery() to QueryOps namespace
- atoms with complex bond type queries now have explict and implicit valences of 0
- adds tests for the above

* add a test
2021-07-09 15:06:54 +02:00

6.2 KiB