Files
rdkit/Code/JavaWrappers/GeneralizedSubstruct.i
Greg Landrum 908e47cc03 support generalized substructure search in the SubstructLibrary (#6835)
* 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
2023-11-01 14:55:28 -04:00

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OpenEdge ABL

%{
#include <GraphMol/GeneralizedSubstruct/XQMol.h>
%}
// %include "std_unique_ptr.i"
// %unique_ptr(ExtendedQueryMol)
%ignore ExtendedQueryMol(std::unique_ptr<RWMol> mol);
%ignore ExtendedQueryMol(std::unique_ptr<MolBundle> mol);
%ignore ExtendedQueryMol(std::unique_ptr<TautomerQuery> mol);
%ignore ExtendedQueryMol(
std::unique_ptr<std::vector<std::unique_ptr<TautomerQuery>>> tqs);
%ignore xqmol;
%include "GraphMol/GeneralizedSubstruct/XQMol.h";