BALL::AtomTypes Class Reference
[Force Field Parameters]

Force Field Atom Type Class. More...

#include <atomTypes.h>

Inheritance diagram for BALL::AtomTypes:

[legend]

List of all members.

Public Member Functions
Constructors and Destructors
	AtomTypes ()
	Default constructor.
	AtomTypes (const AtomTypes &atom_types)
	Copy constructor.
virtual	~AtomTypes ()
	Destructor.
virtual bool	extractSection (Parameters &parameters, const String &section_name="AtomTypes")
	Parameter extraction.
Atom::Type	getType (const String &name) const
	Returns the numeric type for a given string.
bool	hasType (const String &name) const
	Queries whether a given atom type is defined.
String	getTypeName (Atom::Type type) const
	Returns the name for a given index.
Size	getNumberOfTypes () const
Assignment
virtual void	clear ()
	Clear method.
AtomTypes &	operator= (const AtomTypes &atom_types)
	Assignment operator.
Predicates
bool	operator== (const AtomTypes &atom_types) const
	Equality operator.
Protected Attributes
StringHashMap< Atom::Type >	type_map_
vector< String >	names_

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Detailed Description

Force Field Atom Type Class.

Molecular Mechanics Parameter: class describing the atom type section of a parameter file.

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Member Function Documentation

virtual bool BALL::AtomTypes::extractSection	(	Parameters &	parameters,
		const String &	section_name = "AtomTypes"
	)			[virtual]

Parameter extraction.

Reads a parameter section from an INI file. This method reads the section given in section_name from ini_file, interprets (if given) a format line, reads the data from this section according to the format, and builds some datastructures for fast and easy acces this data.

Reimplemented from BALL::ParameterSection.

AtomTypes& BALL::AtomTypes::operator=

(

const AtomTypes &

atom_types

)

Assignment operator.

Parameters:

atom_types

the atom types object to be copied