votca::csg::PDBReader Class Reference

#include <pdbreader.h>

Inheritance diagram for votca::csg::PDBReader:

Collaboration diagram for votca::csg::PDBReader:

Public Member Functions
	PDBReader ()=default
	Constuctor.
	~PDBReader () override=default
	Destructor.
bool	ReadTopology (std::string file, Topology &top) override
	open a topology file
bool	Open (const std::string &file) override
	open a trajectory file
bool	FirstFrame (Topology &top) override
	read in the first frame
bool	NextFrame (Topology &top) override
	read in the next frame
void	Close () override
Public Member Functions inherited from votca::csg::TopologyReader
virtual	~TopologyReader ()=default
virtual bool	ReadTopology (std::string file, Topology &top)=0
	open, read and close topology file
Public Member Functions inherited from votca::csg::TrajectoryReader
virtual	~TrajectoryReader ()=default
virtual bool	Open (const std::string &file)=0
	open a trejectory file
virtual void	Close ()
virtual bool	FirstFrame (Topology &top)=0
	read in the first frame
virtual bool	NextFrame (Topology &top)=0
	read in the next frame

Public Attributes
const tools::DistanceUnit	distance_unit = tools::DistanceUnit::angstroms

Private Attributes
std::ifstream	fl_
bool	topology_

Additional Inherited Members
Static Public Member Functions inherited from votca::csg::TopologyReader
static void	RegisterPlugins (void)
Static Public Member Functions inherited from votca::csg::TrajectoryReader
static void	RegisterPlugins (void)

Detailed Description

brief class for reading pdb files

This class provides the Trajectory and Topology reader interface for pdb files

Definition at line 44 of file pdbreader.h.

Constructor & Destructor Documentation

PDBReader()

votca::csg::PDBReader::PDBReader ( )

default

Constuctor.

~PDBReader()

votca::csg::PDBReader::~PDBReader ( )

overridedefault

Destructor.

Member Function Documentation

Close()

void votca::csg::PDBReader::Close ( )

overridevirtual

Reimplemented from votca::csg::TrajectoryReader.

Definition at line 63 of file pdbreader.cc.

FirstFrame()

bool votca::csg::PDBReader::FirstFrame ( Topology &  top )

overridevirtual

read in the first frame

Implements votca::csg::TrajectoryReader.

Definition at line 65 of file pdbreader.cc.

NextFrame()

bool votca::csg::PDBReader::NextFrame ( Topology &  top )

overridevirtual

read in the next frame

Implements votca::csg::TrajectoryReader.

Definition at line 70 of file pdbreader.cc.

Open()

bool votca::csg::PDBReader::Open ( const std::string &  file )

overridevirtual

open a trajectory file

Implements votca::csg::TrajectoryReader.

Definition at line 53 of file pdbreader.cc.

ReadTopology()

bool votca::csg::PDBReader::ReadTopology ( std::string  file, Topology &  top  )

overridevirtual

open a topology file

Implements votca::csg::TopologyReader.

Definition at line 38 of file pdbreader.cc.

Member Data Documentation

distance_unit

const tools::DistanceUnit votca::csg::PDBReader::distance_unit = tools::DistanceUnit::angstroms

Definition at line 46 of file pdbreader.h.

fl_

std::ifstream votca::csg::PDBReader::fl_

private

Definition at line 63 of file pdbreader.h.

topology_

bool votca::csg::PDBReader::topology_

private

Definition at line 64 of file pdbreader.h.

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

• csg/src/libcsg/modules/io/pdbreader.h
• csg/src/libcsg/modules/io/pdbreader.cc