votca::csg::XMLTopologyReader Class Reference

#include <xmltopologyreader.h>

Inheritance diagram for votca::csg::XMLTopologyReader:

Collaboration diagram for votca::csg::XMLTopologyReader:

Public Member Functions
bool	ReadTopology (std::string filename, Topology &top) override
	read a topology file
	~XMLTopologyReader () 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

Private Types
typedef boost::unordered_multimap< std::string, XMLMolecule * >	MoleculesMap

Private Member Functions
void	ReadTopolFile (std::string file)
void	ParseRoot (tools::Property &property)
void	ParseMolecules (tools::Property &p)
void	ParseBeadTypes (tools::Property &el)
void	ParseBonded (tools::Property &el)
void	ParseBox (tools::Property &p)
void	ParseMolecule (tools::Property &p, std::string molname, Index nmols)
void	ParseBond (tools::Property &p)
void	ParseAngle (tools::Property &p)
void	ParseDihedral (tools::Property &p)

Private Attributes
Topology *	top_
MoleculesMap	molecules_
Index	mol_index_
Index	bead_index_
bool	has_base_topology_

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

Detailed Description

Reads in an xml topology

Todo:

this is a sloppy implementation using expat, is just reads attributes

should be extended to also read beads, ...

Definition at line 86 of file xmltopologyreader.h.

Member Typedef Documentation

MoleculesMap

typedef boost::unordered_multimap<std::string, XMLMolecule *> votca::csg::XMLTopologyReader::MoleculesMap

private

Definition at line 93 of file xmltopologyreader.h.

Constructor & Destructor Documentation

~XMLTopologyReader()

votca::csg::XMLTopologyReader::~XMLTopologyReader ( )

override

Definition at line 399 of file xmltopologyreader.cc.

Member Function Documentation

ParseAngle()

void votca::csg::XMLTopologyReader::ParseAngle ( tools::Property &  p )

private

Definition at line 318 of file xmltopologyreader.cc.

ParseBeadTypes()

void votca::csg::XMLTopologyReader::ParseBeadTypes ( tools::Property &  el )

private

Definition at line 248 of file xmltopologyreader.cc.

ParseBond()

void votca::csg::XMLTopologyReader::ParseBond ( tools::Property &  p )

private

Definition at line 281 of file xmltopologyreader.cc.

ParseBonded()

void votca::csg::XMLTopologyReader::ParseBonded ( tools::Property &  el )

private

Definition at line 267 of file xmltopologyreader.cc.

ParseBox()

void votca::csg::XMLTopologyReader::ParseBox ( tools::Property &  p )

private

Definition at line 84 of file xmltopologyreader.cc.

ParseDihedral()

void votca::csg::XMLTopologyReader::ParseDihedral ( tools::Property &  p )

private

Definition at line 356 of file xmltopologyreader.cc.

ParseMolecule()

void votca::csg::XMLTopologyReader::ParseMolecule ( tools::Property &  p, std::string  molname, Index  nmols  )

private

Definition at line 137 of file xmltopologyreader.cc.

ParseMolecules()

void votca::csg::XMLTopologyReader::ParseMolecules ( tools::Property &  p )

private

Definition at line 92 of file xmltopologyreader.cc.

ParseRoot()

void votca::csg::XMLTopologyReader::ParseRoot ( tools::Property &  property )

private

Definition at line 57 of file xmltopologyreader.cc.

ReadTopolFile()

void votca::csg::XMLTopologyReader::ReadTopolFile ( std::string  file )

private

Definition at line 47 of file xmltopologyreader.cc.

ReadTopology()

bool votca::csg::XMLTopologyReader::ReadTopology ( std::string  filename, Topology &  top  )

overridevirtual

read a topology file

Implements votca::csg::TopologyReader.

Definition at line 36 of file xmltopologyreader.cc.

Member Data Documentation

bead_index_

Index votca::csg::XMLTopologyReader::bead_index_

private

Definition at line 111 of file xmltopologyreader.h.

has_base_topology_

bool votca::csg::XMLTopologyReader::has_base_topology_

private

Definition at line 113 of file xmltopologyreader.h.

mol_index_

Index votca::csg::XMLTopologyReader::mol_index_

private

Definition at line 110 of file xmltopologyreader.h.

molecules_

MoleculesMap votca::csg::XMLTopologyReader::molecules_

private

Definition at line 109 of file xmltopologyreader.h.

top_

Topology* votca::csg::XMLTopologyReader::top_

private

Definition at line 108 of file xmltopologyreader.h.

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

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