OpenStructure
Data Structures | Namespaces | Typedefs | Functions
coord_frame.hh File Reference
#include <ost/mol/module_config.hh>
#include <boost/shared_ptr.hpp>
#include <ost/geom/geom.hh>
#include <ost/mol/entity_view.hh>
#include "atom_handle.hh"

Go to the source code of this file.

Data Structures

class  CoordFrame
 

Namespaces

 ost
 
 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())
 
DLLEXPORT_OST_MOL void GetIndices (const EntityView &sele, std::vector< unsigned long > &indices)
 
DLLEXPORT_OST_MOL void GetMasses (const EntityView &sele, std::vector< Real > &masses)
 
DLLEXPORT_OST_MOL void GetIndicesAndMasses (const EntityView &sele, std::vector< unsigned long > &indices, std::vector< Real > &masses)
 
DLLEXPORT_OST_MOL void GetPositions (const EntityView &sele, std::vector< geom::Vec3 > &ref_pos)
 
DLLEXPORT_OST_MOL void GetCaIndices (const EntityView &segment, std::vector< unsigned long > &indices_ca)
 
DLLEXPORT_OST_MOL 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)