BALL::AtomTypes Class Reference
[Force Field Parameters]

#include <BALL/MOLMEC/PARAMETER/atomTypes.h>

Inheritance diagram for BALL::AtomTypes:

List of all members.

Public Member Functions
Constructors and Destructors
	AtomTypes ()
	AtomTypes (const AtomTypes &atom_types)
virtual	~AtomTypes ()
virtual bool	extractSection (Parameters &parameters, const String &section_name="AtomTypes")
Atom::Type	getType (const String &name) const
bool	hasType (const String &name) const
String	getTypeName (Atom::Type type) const
Size	getNumberOfTypes () const
Assignment
virtual void	clear ()
AtomTypes &	operator= (const AtomTypes &atom_types)
Predicates
bool	operator== (const AtomTypes &atom_types) const
Protected Attributes
StringHashMap< Atom::Type >	type_map_
vector< String >	names_

---

Detailed Description

Force Field Atom Type Class.

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

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Constructor & Destructor Documentation

BALL::AtomTypes::AtomTypes

(

)

Default constructor.

BALL::AtomTypes::AtomTypes

(

const AtomTypes &

atom_types

)

Copy constructor.

virtual BALL::AtomTypes::~AtomTypes

(

)

[virtual]

Destructor.

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Member Function Documentation

virtual void BALL::AtomTypes::clear

(

)

[virtual]

Clear method

Reimplemented from BALL::ParameterSection.

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.

Size BALL::AtomTypes::getNumberOfTypes

(

)

const

Atom::Type BALL::AtomTypes::getType

(

const String &

name

)

const

Returns the numeric type for a given string.

String BALL::AtomTypes::getTypeName

(

Atom::Type

type

)

const

Returns the name for a given index

bool BALL::AtomTypes::hasType

(

const String &

name

)

const

Queries whether a given atom type is defined

AtomTypes& BALL::AtomTypes::operator=

(

const AtomTypes &

atom_types

)

Assignment operator.

Parameters:

atom_types

the atom types object to be copied

bool BALL::AtomTypes::operator==

(

const AtomTypes &

atom_types

)

const

Equality operator

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Member Data Documentation

vector<String> BALL::AtomTypes::names_ [protected]

StringHashMap<Atom::Type> BALL::AtomTypes::type_map_ [protected]