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

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