diff --git a/modules/mol/base/pymod/export_coord_frame.cc b/modules/mol/base/pymod/export_coord_frame.cc index 6636421ad702ab8dc41f88f865ae8de3fd2ab451..3f760c65c78491c75001a6348d7c246c2a4c733d 100644 --- a/modules/mol/base/pymod/export_coord_frame.cc +++ b/modules/mol/base/pymod/export_coord_frame.cc @@ -26,6 +26,8 @@ using namespace boost::python; using namespace ost; using namespace ost::mol; +geom::Vec3 (CoordFrame::*GetCellSize)() = &CoordFrame::GetCellSize; +geom::Vec3 (CoordFrame::*GetCellAngles)() = &CoordFrame::GetCellAngles; geom::Vec3 (CoordFrame::*get_atom_pos)(const AtomHandle& atom) = &CoordFrame::GetAtomPos; Real (CoordFrame::*get_dist_atom)(const AtomHandle& a1, const AtomHandle& a2) = &CoordFrame::GetDistanceBetwAtoms; Real (CoordFrame::*get_angle)(const AtomHandle& a1, const AtomHandle& a2, const AtomHandle& a3) = &CoordFrame::GetAngle; @@ -35,9 +37,12 @@ Real (CoordFrame::*get_dist_cm)(const mol::EntityView& sele1, const mol::EntityV Real (CoordFrame::*get_rmsd)(const mol::EntityView& Reference_View, const mol::EntityView& sele_View) = &CoordFrame::GetRMSD; Real (CoordFrame::*get_min_dist)(const mol::EntityView& view1, const mol::EntityView& view2) = &CoordFrame::GetMinDistance; Real (CoordFrame::*get_alpha)(const mol::EntityView& segment) = &CoordFrame::GetAlphaHelixContent; + void export_CoordFrame() { class_<CoordFrame>("CoordFrame",no_init) + .def("GetCellSize",GetCellSize) + .def("GetCellAngles",GetCellAngles) .def("GetAtomPos", get_atom_pos) .def("GetDistanceBetwAtoms", get_dist_atom) .def("GetAngle", get_angle)