Simpatico: McMd::ConfigIo Class Reference

Simpatico v1.10

Detailed Description

System configuration file reader and writer.

A ConfigIo object is used by a System to read and write the configuration file for the System. The configuration file contains the Boundary dimensions, the number of molecules of each Species, and the atomic positions for every Atom in that System.

The ConfigIo class defines default implementations of the virtual read() and write() methods. These define the default config file format for Simpatico. Other formats may be read and written by using an instance of a subclass of ConfigIo, for which the overridden read() and write() methods must define the desired file format.

A System holds a pointer to a ConfigIo, which may be set by the System::setConfigIo() method. By default, if no ConfigIo is set explicitly, the System will create and use an instance of ConfigIo when needed.

Definition at line 46 of file mcMd/configIos/ConfigIo.h.

#include <ConfigIo.h>

Inheritance diagram for McMd::ConfigIo:

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

virtual	~ConfigIo ()
	Destructor. More...

virtual void	read (std::istream &in)=0
	Read configuration (particle positions) from file. More...

virtual void	write (std::ostream &out)=0
	Write configuration (particle positions) to file. More...

Protected Member Functions
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::ConfigIo::ConfigIo ( System & system )

Constructor.

Definition at line 19 of file mcMd/configIos/ConfigIo.cpp.

McMd::ConfigIo::~ConfigIo ( )

virtual

Destructor.

Definition at line 28 of file mcMd/configIos/ConfigIo.cpp.

Member Function Documentation

virtual void McMd::ConfigIo::read ( std::istream & in )

pure virtual

Read configuration (particle positions) from file.

Parameters

in	input file stream.

Implemented in McMd::LammpsConfigIo, McMd::DdMdConfigIo, McMd::McMdConfigIo, and McMd::SmpConfigIo.

Referenced by McMd::System::readConfig().

virtual void McMd::ConfigIo::write ( std::ostream & out )

pure virtual

Write configuration (particle positions) to file.

Parameters

out	output file stream.

Implemented in McMd::LammpsConfigIo, McMd::DdMdConfigIo, McMd::McMdConfigIo, and McMd::SmpConfigIo.

Referenced by McMd::System::writeConfig().

System & McMd::ConfigIo::system ( ) const

inlineprotected

Get a reference to the parent System.

Definition at line 101 of file mcMd/configIos/ConfigIo.h.

Referenced by McMd::McMdConfigIo::read(), McMd::SmpConfigIo::read(), McMd::DdMdConfigIo::read(), McMd::LammpsConfigIo::read(), McMd::SmpConfigIo::write(), McMd::McMdConfigIo::write(), McMd::DdMdConfigIo::write(), and McMd::LammpsConfigIo::write().

Simulation & McMd::ConfigIo::simulation ( ) const

inlineprotected

Get a reference to the parent Simulation.

Definition at line 110 of file mcMd/configIos/ConfigIo.h.

Referenced by McMd::McMdConfigIo::read(), McMd::SmpConfigIo::read(), McMd::DdMdConfigIo::read(), McMd::LammpsConfigIo::read(), McMd::SmpConfigIo::write(), McMd::McMdConfigIo::write(), McMd::DdMdConfigIo::write(), and McMd::LammpsConfigIo::write().

Boundary & McMd::ConfigIo::boundary ( ) const

inlineprotected

Get the Boundary.

Definition at line 119 of file mcMd/configIos/ConfigIo.h.

Referenced by McMd::McMdConfigIo::read(), McMd::SmpConfigIo::read(), McMd::LammpsConfigIo::read(), McMd::McConfigIo::readAtom(), McMd::MdConfigIo::readAtom(), McMd::SmpConfigIo::write(), McMd::McMdConfigIo::write(), and McMd::LammpsConfigIo::write().

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