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