MarioAndWario 643a356e44 Fix Mol block parser by resetting atomic number to 0 for COMPOSITE_OR query atoms (#6349) (#6768) ...

* Fix Mol block parser by resetting atomic number to 0 for COMPOSITE_OR query atoms (#6349)

* Fix fileParsersTest1

* Fix test23MolFileParsing

* Fix testRGroupDecomp

* Fix testSubstructMatch

* Use std::unique_ptr instead of raw pointer

* Add isAtomDummy() to QueryOps.h

* Add `!a->getQuery()->getNegation()`

2024-01-23 17:13:53 +01:00

9.9 KiB

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