CoordSource Class Reference

#include <coord_source.hh>

Inherited by InMemCoordSource.

Public Member Functions
	CoordSource (const AtomHandleList &atoms)
virtual	~CoordSource ()
virtual uint	GetFrameCount () const =0
virtual CoordFramePtr	GetFrame (uint frame_id) const =0
CoordSourcePtr	Extract (int start=0, int stop=-1, int step=1)
float	GetFrameDelta () const
void	SetFrameDelta (float d)
float	GetStartTime () const
void	SetStartTime (float t)
int	GetAtomCount () const
EntityHandle	GetEntity () const
const AtomHandleList &	GetAtomList () 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)
void	SetFramePositions (uint frame, const std::vector< geom::Vec3 > &clist)
void	SetFrameCellSize (uint frame, const geom::Vec3 &size)
virtual void	AddFrame (const std::vector< geom::Vec3 > &coords)=0
virtual void	AddFrame (const std::vector< geom::Vec3 > &coords, const geom::Vec3 &cell_size, const geom::Vec3 &cell_angles)=0
virtual void	InsertFrame (int pos, const std::vector< geom::Vec3 > &coords)=0
void	ApplyTransform (const geom::Transform &tf)

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 46 of file coord_source.hh.

Constructor & Destructor Documentation

CoordSource

(

const AtomHandleList &

atoms

)

virtual ~CoordSource ( )

inlinevirtual

Definition at line 50 of file coord_source.hh.

Member Function Documentation

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

pure virtual

Implemented in InMemCoordSource.

virtual void AddFrame ( const std::vector< geom::Vec3 > &  coords, const geom::Vec3 &  cell_size, const geom::Vec3 &  cell_angles  )

pure virtual

Implemented in InMemCoordSource.

void ApplyTransform

(

const geom::Transform &

tf

)

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 ( ) const

pure virtual

Implemented in InMemCoordSource.

float GetFrameDelta ( ) const

inline

Definition at line 59 of file coord_source.hh.

float GetStartTime ( ) const

inline

Definition at line 63 of file coord_source.hh.

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 SetFrameCellSize	(	uint	frame,
		const geom::Vec3 &	size
	)

void SetFrameDelta ( float  d )

inline

Definition at line 60 of file coord_source.hh.

void SetFramePositions	(	uint	frame,
		const std::vector< geom::Vec3 > &	clist
	)

void SetMutable ( bool  flag )

protected

void SetStartTime ( float  t )

inline

Definition at line 64 of file coord_source.hh.

---

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

• stage/include/ost/mol/coord_source.hh