Simpatico: McMd::McMdConfigIo Class Reference

Simpatico v1.10

Detailed Description

Base class for default Mc and Md configIos.

Definition at line 31 of file McMdConfigIo.h.

#include <McMdConfigIo.h>

Inheritance diagram for McMd::McMdConfigIo:

Public Member Functions
	McMdConfigIo (System &system)
	Constructor. More...

virtual	~McMdConfigIo ()
	Destructor. More...

virtual void	read (std::istream &in)
	Read configuration (particle positions) from file. More...

virtual void	write (std::ostream &out)
	Write configuration (particle positions) to file. More...

Public Member Functions inherited from McMd::ConfigIo
	ConfigIo (System &system)
	Constructor. More...

virtual	~ConfigIo ()
	Destructor. More...

Protected Member Functions
virtual void	readAtom (std::istream &out, Atom &atom)=0
	Read data for one atom. More...

virtual void	writeAtom (std::ostream &out, const Atom &atom)=0
	Write data for one atom. More...

Protected Member Functions inherited from McMd::ConfigIo
System &	system () const
	Get a reference to the parent System. More...

Simulation &	simulation () const
	Get a reference to the parent Simulation. More...

Boundary &	boundary () const
	Get the Boundary. More...

Constructor & Destructor Documentation

McMd::McMdConfigIo::McMdConfigIo ( System & system )

Constructor.

Definition at line 34 of file McMdConfigIo.cpp.

McMd::McMdConfigIo::~McMdConfigIo ( )

virtual

Destructor.

Definition at line 41 of file McMdConfigIo.cpp.

Member Function Documentation

void McMd::McMdConfigIo::read ( std::istream & in )

virtual

Read configuration (particle positions) from file.

Parameters

in	input file stream.

Implements McMd::ConfigIo.

Definition at line 47 of file McMdConfigIo.cpp.

References McMd::LinkMaster::addLink(), McMd::System::addMolecule(), McMd::Molecule::atom(), McMd::Molecule::begin(), McMd::ConfigIo::boundary(), Util::Log::file(), McMd::Simulation::getMolecule(), Simp::Species::isMutable(), McMd::System::linkMaster(), McMd::System::molecule(), Simp::Species::mutator(), McMd::Molecule::nAtom(), Util::ArrayIterator< Data >::notEnd(), McMd::Simulation::nSpecies(), readAtom(), McMd::SpeciesMutator::readMoleculeState(), McMd::ConfigIo::simulation(), McMd::Simulation::species(), McMd::ConfigIo::system(), UTIL_CHECK, and UTIL_THROW.

void McMd::McMdConfigIo::write ( std::ostream & out )

virtual

Write configuration (particle positions) to file.

Parameters

out	output file stream.

Implements McMd::ConfigIo.

Definition at line 186 of file McMdConfigIo.cpp.

References McMd::Link::atom0(), McMd::Link::atom1(), McMd::System::begin(), McMd::ConfigIo::boundary(), Simp::Species::id(), McMd::Atom::indexInMolecule(), Simp::Species::isMutable(), McMd::LinkMaster::link(), McMd::System::linkMaster(), McMd::Atom::molecule(), McMd::System::moleculeId(), Simp::Species::mutator(), McMd::LinkMaster::nLink(), McMd::System::nMolecule(), Util::ConstArrayIterator< Data >::notEnd(), Util::ConstPArrayIterator< Data >::notEnd(), McMd::Simulation::nSpecies(), McMd::ConfigIo::simulation(), McMd::Molecule::species(), McMd::Simulation::species(), McMd::ConfigIo::system(), McMd::Link::typeId(), writeAtom(), and McMd::SpeciesMutator::writeMoleculeState().

virtual void McMd::McMdConfigIo::readAtom	(	std::istream &	out,
		Atom &	atom
	)

protectedpure virtual

Read data for one atom.

Implemented in McMd::McConfigIo, and McMd::MdConfigIo.

Referenced by read().

virtual void McMd::McMdConfigIo::writeAtom	(	std::ostream &	out,
		const Atom &	atom
	)

protectedpure virtual

Write data for one atom.

Implemented in McMd::McConfigIo, and McMd::MdConfigIo.

Referenced by write().

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