votca::csg::GROWriter Class Reference

#include <growriter.h>

Inheritance diagram for votca::csg::GROWriter:

Collaboration diagram for votca::csg::GROWriter:

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

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
FILE *	out_

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

Detailed Description

Definition at line 34 of file growriter.h.

Member Function Documentation

Close()

void votca::csg::GROWriter::Close ( )

overridevirtual

Reimplemented from votca::csg::TrajectoryWriter.

Definition at line 34 of file growriter.cc.

Open()

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

overridevirtual

Reimplemented from votca::csg::TrajectoryWriter.

Definition at line 30 of file growriter.cc.

Write()

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

overridevirtual

Reimplemented from votca::csg::TrajectoryWriter.

Definition at line 36 of file growriter.cc.

Member Data Documentation

charge_unit

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

Definition at line 39 of file growriter.h.

distance_unit

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

Definition at line 36 of file growriter.h.

energy_unit

const tools::MolarEnergyUnit votca::csg::GROWriter::energy_unit

Initial value:

=
      tools::MolarEnergyUnit::kilojoules_per_mole

Definition at line 40 of file growriter.h.

force_unit

const tools::MolarForceUnit votca::csg::GROWriter::force_unit

Initial value:

=
      tools::MolarForceUnit::kilojoules_per_mole_nanometer

Definition at line 44 of file growriter.h.

mass_unit

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

Definition at line 37 of file growriter.h.

out_

FILE* votca::csg::GROWriter::out_

private

Definition at line 53 of file growriter.h.

time_unit

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

Definition at line 38 of file growriter.h.

velocity_unit

const tools::VelocityUnit votca::csg::GROWriter::velocity_unit

Initial value:

=
      tools::VelocityUnit::nanometers_per_picosecond

Definition at line 42 of file growriter.h.

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

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