votca::csg::GMXTrajectoryWriter Class Reference

#include <gmxtrajectorywriter.h>

Inheritance diagram for votca::csg::GMXTrajectoryWriter:

Collaboration diagram for votca::csg::GMXTrajectoryWriter:

Public Member Functions
	GMXTrajectoryWriter ()=default
void	Open (std::string file, bool=false) override
void	Close () override
void	Write (Topology *conf) override
Public Member Functions inherited from votca::csg::TrajectoryWriter
	TrajectoryWriter ()=default
virtual	~TrajectoryWriter ()=default
virtual void	Open (std::string, bool=false)
virtual void	Close ()
virtual void	Write (Topology *)

Public Attributes
const tools::DistanceUnit	distance_unit = tools::DistanceUnit::nanometers
const tools::MassUnit	mass_unit = tools::MassUnit::atomic_mass_units
const tools::TimeUnit	time_unit = tools::TimeUnit::picoseconds
const tools::ChargeUnit	charge_unit = tools::ChargeUnit::e
const tools::MolarEnergyUnit	energy_unit
const tools::VelocityUnit	velocity_unit
const tools::MolarForceUnit	force_unit

Private Attributes
t_trxstatus *	file_

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

Detailed Description

Definition at line 32 of file gmxtrajectorywriter.h.

Constructor & Destructor Documentation

GMXTrajectoryWriter()

votca::csg::GMXTrajectoryWriter::GMXTrajectoryWriter ( )

default

Member Function Documentation

Close()

void votca::csg::GMXTrajectoryWriter::Close ( )

overridevirtual

Reimplemented from votca::csg::TrajectoryWriter.

Definition at line 39 of file gmxtrajectorywriter.cc.

Open()

void votca::csg::GMXTrajectoryWriter::Open ( std::string  file, bool  = false  )

overridevirtual

Reimplemented from votca::csg::TrajectoryWriter.

Definition at line 35 of file gmxtrajectorywriter.cc.

Write()

void votca::csg::GMXTrajectoryWriter::Write ( Topology *  conf )

overridevirtual

Reimplemented from votca::csg::TrajectoryWriter.

Definition at line 41 of file gmxtrajectorywriter.cc.

Member Data Documentation

charge_unit

const tools::ChargeUnit votca::csg::GMXTrajectoryWriter::charge_unit = tools::ChargeUnit::e

Definition at line 37 of file gmxtrajectorywriter.h.

distance_unit

const tools::DistanceUnit votca::csg::GMXTrajectoryWriter::distance_unit = tools::DistanceUnit::nanometers

Definition at line 34 of file gmxtrajectorywriter.h.

energy_unit

const tools::MolarEnergyUnit votca::csg::GMXTrajectoryWriter::energy_unit

Initial value:

=
      tools::MolarEnergyUnit::kilojoules_per_mole

Definition at line 38 of file gmxtrajectorywriter.h.

file_

t_trxstatus* votca::csg::GMXTrajectoryWriter::file_

private

Definition at line 52 of file gmxtrajectorywriter.h.

force_unit

const tools::MolarForceUnit votca::csg::GMXTrajectoryWriter::force_unit

Initial value:

=
      tools::MolarForceUnit::kilojoules_per_mole_nanometer

Definition at line 42 of file gmxtrajectorywriter.h.

mass_unit

const tools::MassUnit votca::csg::GMXTrajectoryWriter::mass_unit = tools::MassUnit::atomic_mass_units

Definition at line 35 of file gmxtrajectorywriter.h.

time_unit

const tools::TimeUnit votca::csg::GMXTrajectoryWriter::time_unit = tools::TimeUnit::picoseconds

Definition at line 36 of file gmxtrajectorywriter.h.

velocity_unit

const tools::VelocityUnit votca::csg::GMXTrajectoryWriter::velocity_unit

Initial value:

=
      tools::VelocityUnit::nanometers_per_picosecond

Definition at line 40 of file gmxtrajectorywriter.h.

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

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