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 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)
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

Protected Member Functions
void	SetMutable (bool flag)

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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.

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Constructor & Destructor Documentation

CoordSource

(

const AtomHandleList &

atoms

)

virtual ~CoordSource ( )

virtual

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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 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

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

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