OpenStructure
Public Member Functions | Protected Member Functions
CoordSource Class Reference

#include <coord_source.hh>

Inherited by InMemCoordSource.

Public Member Functions

 CoordSource (const AtomHandleList &atoms)
virtual ~CoordSource ()
CoordSourcePtr Extract (int start=0, int stop=-1, int step=1)
virtual uint GetFrameCount ()=0
virtual CoordFramePtr GetFrame (uint frame_id) const =0
int GetAtomCount () const
EntityHandle GetEntity () const
const AtomHandleListGetAtomList () const
void SetAtomPos (uint frame, AtomHandle atom, const geom::Vec3 &pos)
geom::Vec3 GetAtomPos (uint frame, AtomHandle atom) const
void CopyFrame (uint frame)
bool IsMutable () const
void Capture ()
void CaptureInto (int pos)
void Capture (uint f)
virtual void AddFrame (const std::vector< geom::Vec3 > &coords)=0
virtual void InsertFrame (int pos, const std::vector< geom::Vec3 > &coords)=0

Protected Member Functions

void SetMutable (bool flag)

Detailed Description

coordinate source

The coord source implements a strategy to provide coordinates, i.e from a trajectory. In it's simplest incarnaction, InMemCoordSource, the frame coordinates are already present in memory.

Definition at line 42 of file coord_source.hh.


Constructor & Destructor Documentation

CoordSource ( const AtomHandleList atoms)
virtual ~CoordSource ( )
virtual

Member Function Documentation

virtual void AddFrame ( const std::vector< geom::Vec3 > &  coords)
pure virtual

Implemented in InMemCoordSource.

void Capture ( )
void Capture ( uint  f)
void CaptureInto ( int  pos)
void CopyFrame ( uint  frame)

assign the coordinates in the given frame to the atoms

CoordSourcePtr Extract ( int  start = 0,
int  stop = -1,
int  step = 1 
)
int GetAtomCount ( ) const
const AtomHandleList& GetAtomList ( ) const
geom::Vec3 GetAtomPos ( uint  frame,
AtomHandle  atom 
) const
EntityHandle GetEntity ( ) const
virtual CoordFramePtr GetFrame ( uint  frame_id) const
pure virtual

Implemented in InMemCoordSource.

virtual uint GetFrameCount ( )
pure virtual

Implemented in InMemCoordSource.

virtual void InsertFrame ( int  pos,
const std::vector< geom::Vec3 > &  coords 
)
pure virtual

Implemented in InMemCoordSource.

bool IsMutable ( ) const
void SetAtomPos ( uint  frame,
AtomHandle  atom,
const geom::Vec3 pos 
)
void SetMutable ( bool  flag)
protected

The documentation for this class was generated from the following file: