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support generalized substructure search in the SubstructLibrary (#6835)

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* support generalized substructure search in the SubstructLibrary

* simplify namespaces

* support the new functionality in the swig wrappers

* update mac swig version in CI

* ensure swig4

* switch mac_java ci builds to conda-forge

* change in response to review

* add copy ctor to extendedquerymol

* Back to the way it was
This commit is contained in:
Greg Landrum
2023-11-01 19:55:28 +01:00
committed by GitHub
parent 81e9cb2386
commit 908e47cc03
15 changed files with 435 additions and 96 deletions
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1
Code/JavaWrappers/gmwrapper/GraphMolJava.i
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@@ -223,6 +223,7 @@ typedef unsigned long long int uintmax_t;
%include "../MolHash.i"
%include "../Abbreviations.i"
%include "../Streams.i"
%include "../GeneralizedSubstruct.i"
// Create a class to throw various sorts of errors for testing. Required for unit tests in ErrorHandlingTests.java
#ifdef INCLUDE_ERROR_GENERATOR