mirror of
https://github.com/openbabel/openbabel.git
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118 lines
3.5 KiB
OpenEdge ABL
118 lines
3.5 KiB
OpenEdge ABL
%include <openbabel/stereo/tetranonplanar.h>
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%include <openbabel/stereo/tetraplanar.h>
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%include <openbabel/stereo/tetrahedral.h>
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%include <openbabel/stereo/cistrans.h>
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%include <openbabel/stereo/squareplanar.h>
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%include <openbabel/stereo/bindings.h>
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%extend OpenBabel::OBTetrahedralStereo {
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void SetConfig(const OpenBabel::OBTetrahedralConfig &config)
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{
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self->SetConfig(OpenBabel::OBTetrahedralConfig::Convert(config));
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}
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OpenBabel::OBTetrahedralConfig GetConfig(OBStereo::Winding winding = OBStereo::Clockwise, OBStereo::View view = OBStereo::ViewFrom)
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{
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OpenBabel::OBTetrahedralStereo::Config cConfig = self->GetConfig(winding, view);
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OpenBabel::OBTetrahedralConfig pyConfig;
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pyConfig.center = cConfig.center;
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pyConfig.from_or_towards = cConfig.from;
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pyConfig.refs = cConfig.refs;
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pyConfig.winding = cConfig.winding;
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pyConfig.view = cConfig.view;
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pyConfig.specified = cConfig.specified;
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return pyConfig;
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}
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OpenBabel::OBTetrahedralConfig GetConfig(unsigned long from_or_towards, OBStereo::Winding winding = OBStereo::Clockwise, OBStereo::View view = OBStereo::ViewFrom)
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{
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OpenBabel::OBTetrahedralStereo::Config cConfig = self->GetConfig(from_or_towards, winding, view);
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OpenBabel::OBTetrahedralConfig pyConfig;
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pyConfig.center = cConfig.center;
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pyConfig.from_or_towards = cConfig.from;
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pyConfig.refs = cConfig.refs;
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pyConfig.winding = cConfig.winding;
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pyConfig.view = cConfig.view;
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pyConfig.specified = cConfig.specified;
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return pyConfig;
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}
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}
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%extend OpenBabel::OBCisTransStereo {
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void SetConfig(const OpenBabel::OBCisTransConfig &config)
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{
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self->SetConfig(OpenBabel::OBCisTransConfig::Convert(config));
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}
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OpenBabel::OBCisTransConfig GetConfig(OBStereo::Shape shape = OBStereo::ShapeU)
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{
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OpenBabel::OBCisTransStereo::Config cConfig = self->GetConfig(shape);
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OpenBabel::OBCisTransConfig pyConfig;
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pyConfig.begin = cConfig.begin;
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pyConfig.end = cConfig.end;
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pyConfig.refs = cConfig.refs;
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pyConfig.shape = cConfig.shape;
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pyConfig.specified = cConfig.specified;
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return pyConfig;
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}
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OpenBabel::OBCisTransConfig GetConfig(unsigned long start, OBStereo::Shape shape = OBStereo::ShapeU)
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{
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OpenBabel::OBCisTransStereo::Config cConfig = self->GetConfig(start, shape);
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OpenBabel::OBCisTransConfig pyConfig;
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pyConfig.begin = cConfig.begin;
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pyConfig.end = cConfig.end;
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pyConfig.refs = cConfig.refs;
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pyConfig.shape = cConfig.shape;
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pyConfig.specified = cConfig.specified;
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return pyConfig;
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}
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}
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%extend OpenBabel::OBSquarePlanarStereo {
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void SetConfig(const OpenBabel::OBSquarePlanarConfig &config)
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{
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self->SetConfig(OpenBabel::OBSquarePlanarConfig::Convert(config));
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}
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OpenBabel::OBSquarePlanarConfig GetConfig(OBStereo::Shape shape = OBStereo::ShapeU)
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{
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OpenBabel::OBSquarePlanarStereo::Config cConfig = self->GetConfig(shape);
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OpenBabel::OBSquarePlanarConfig pyConfig;
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pyConfig.center = cConfig.center;
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pyConfig.refs = cConfig.refs;
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pyConfig.shape = cConfig.shape;
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pyConfig.specified = cConfig.specified;
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return pyConfig;
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}
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OpenBabel::OBSquarePlanarConfig GetConfig(unsigned long start, OBStereo::Shape shape = OBStereo::ShapeU)
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{
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OpenBabel::OBSquarePlanarStereo::Config cConfig = self->GetConfig(start, shape);
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OpenBabel::OBSquarePlanarConfig pyConfig;
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pyConfig.center = cConfig.center;
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pyConfig.refs = cConfig.refs;
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pyConfig.shape = cConfig.shape;
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pyConfig.specified = cConfig.specified;
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return pyConfig;
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}
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}
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