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2 Commits

Author SHA1 Message Date
Gareth Jones
930c7d6345 Handle query atoms and bonds in SWIG wrappers (#7431) 
* Query atom information in swig

* Atom query swig wrapping working

* SWIG wrapper for queries

* Add match to QueryAtom and QueryBond

* CShart test

* Added Java test

* Replace var with type for Java test

* Apply suggestions from code review

Co-authored-by: Paolo Tosco <paolo.tosco.mail@gmail.com>

* Update Code/JavaWrappers/Queries.i

Co-authored-by: Paolo Tosco <paolo.tosco.mail@gmail.com>

* Apply suggestions from code review

Co-authored-by: Paolo Tosco <paolo.tosco.mail@gmail.com>

* Get SWIG build working again

* Remove trailing whitespace from Queries.i

* Update Queries.i to use shared_ptr

* small simplification

* remove boost::make_iterator from ROMol.i

* further simplification

---------

Co-authored-by: Paolo Tosco <paolo.tosco.mail@gmail.com>
Co-authored-by: ptosco <paolo.tosco@novartis.com>
 2024-05-23 07:18:49 +02:00
Brian Kelley
2debdfde0d Adds RDAny (smaller generic holder) Updates all used dictionaries (#896) 
* Adds RDAny (smaller generic holder) Updates all used dictionaries

This is an API compliant version of the current rdany system,
but uses a lot less memory in practice.

* Removes code duplication

* Converts CHECK_INVARIANT to TEST_ASSERT

* Fixes DoubleTag issue

* Adds Bool to DoubleMagic implementation

* Removes reference to property pickler
 2016-05-29 17:04:21 +01:00