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https://github.com/rdkit/rdkit.git
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39 lines
1.2 KiB
OpenEdge ABL
39 lines
1.2 KiB
OpenEdge ABL
%{
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#include <GraphMol/MolStandardize/MolStandardize.h>
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#include <GraphMol/MolStandardize/Pipeline.h>
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namespace RDKit {
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namespace MolStandardize {
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bool operator==(const PipelineLogEntry & rhs, const PipelineLogEntry & lhs) {
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return (rhs.status == lhs.status) && (rhs.detail == lhs.detail);
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}
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bool operator!=(const PipelineLogEntry & rhs, const PipelineLogEntry & lhs) {
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return !(rhs == lhs);
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}
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}
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}
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%}
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%include <std_vector.i>
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namespace std {
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%template(PipelineLog) std::vector<RDKit::MolStandardize::PipelineLogEntry>;
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}
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%newobject RDKit::MolStandardize::cleanup;
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%newobject RDKit::MolStandardize::normalize;
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%newobject RDKit::MolStandardize::reionize;
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%newobject RDKit::MolStandardize::removeFragments;
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%newobject RDKit::MolStandardize::canonicalTautomer;
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%newobject RDKit::MolStandardize::tautomerParent;
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%newobject RDKit::MolStandardize::fragmentParent;
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%newobject RDKit::MolStandardize::stereoParent;
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%newobject RDKit::MolStandardize::isotopeParent;
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%newobject RDKit::MolStandardize::chargeParent;
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%newobject RDKit::MolStandardize::superParent;
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%newobject RDKit::MolStandardize::disconnectOrganometallics;
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%include <GraphMol/MolStandardize/MolStandardize.h>
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%include "enums.swg"
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%include <GraphMol/MolStandardize/Pipeline.h>
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