votca::csg::GMXTopologyReader Class Reference

reader for gromacs topology files More...

#include <gmxtopologyreader.h>

Inheritance diagram for votca::csg::GMXTopologyReader:

Collaboration diagram for votca::csg::GMXTopologyReader:

Public Member Functions
	GMXTopologyReader ()=default
bool	ReadTopology (std::string file, Topology &top) override
	read a topology file
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 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

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

Detailed Description

reader for gromacs topology files

This class encapsulates the gromacs reading functions and provides an interface to fill a topolgy class

Definition at line 40 of file gmxtopologyreader.h.

Constructor & Destructor Documentation

GMXTopologyReader()

votca::csg::GMXTopologyReader::GMXTopologyReader ( )

default

Member Function Documentation

ReadTopology()

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

overridevirtual

read a topology file

Implements votca::csg::TopologyReader.

Definition at line 38 of file gmxtopologyreader.cc.

Member Data Documentation

charge_unit

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

Definition at line 45 of file gmxtopologyreader.h.

distance_unit

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

Definition at line 42 of file gmxtopologyreader.h.

energy_unit

const tools::MolarEnergyUnit votca::csg::GMXTopologyReader::energy_unit

Initial value:

=
      tools::MolarEnergyUnit::kilojoules_per_mole

Definition at line 46 of file gmxtopologyreader.h.

force_unit

const tools::MolarForceUnit votca::csg::GMXTopologyReader::force_unit

Initial value:

=
      tools::MolarForceUnit::kilojoules_per_mole_nanometer

Definition at line 50 of file gmxtopologyreader.h.

mass_unit

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

Definition at line 43 of file gmxtopologyreader.h.

time_unit

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

Definition at line 44 of file gmxtopologyreader.h.

velocity_unit

const tools::VelocityUnit votca::csg::GMXTopologyReader::velocity_unit

Initial value:

=
      tools::VelocityUnit::nanometers_per_picosecond

Definition at line 48 of file gmxtopologyreader.h.

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

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