coord_frame.hh File Reference

#include <boost/shared_ptr.hpp>
#include <ost/geom/geom.hh>
#include <ost/mol/module_config.hh>
#include <ost/mol/entity_view.hh>
#include "atom_handle.hh"

Go to the source code of this file.

Data Structures
class	CoordFrame

Namespaces
namespace	ost
namespace	ost::mol

Typedefs
typedef boost::shared_ptr < CoordFrame >	CoordFramePtr
typedef std::vector < CoordFramePtr >	CoordFrameList

Functions
DLLEXPORT_OST_MOL CoordFrame	CreateCoordFrame (const geom::Vec3List &atom_pos, const geom::Vec3 &cell_size=geom::Vec3(), const geom::Vec3 &cell_angles=geom::Vec3())
void	GetIndices (const EntityView &sele, std::vector< unsigned long > &indices)
void	GetMasses (const EntityView &sele, std::vector< Real > &masses)
void	GetIndicesAndMasses (const EntityView &sele, std::vector< unsigned long > &indices, std::vector< Real > &masses)
void	GetPositions (const EntityView &sele, std::vector< geom::Vec3 > &ref_pos)
void	GetCaIndices (const EntityView &segment, std::vector< unsigned long > &indices_ca)
void	GetCaCONIndices (const EntityView &segment, std::vector< unsigned long > &indices_ca, std::vector< unsigned long > &indices_c, std::vector< unsigned long > &indices_o, std::vector< unsigned long > &indices_n)