BALL::ForceFieldParameters Class Reference
[Force Field Parameters]

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

Inheritance diagram for BALL::ForceFieldParameters:

[legend]

List of all members.

Public Member Functions
Constructors and destructor
	ForceFieldParameters ()
	ForceFieldParameters (const String &filename)
	ForceFieldParameters (const ForceFieldParameters &force_field_parameter)
virtual	~ForceFieldParameters ()
Assignment
virtual void	clear ()
const ForceFieldParameters &	operator= (const ForceFieldParameters &param)
Accessors
AtomTypes &	getAtomTypes ()
virtual bool	init ()
Predicates
virtual bool	isValid () const
bool	operator== (const ForceFieldParameters &param) const
Protected Attributes
AtomTypes	atom_types_
Friends
class	ForceField

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Detailed Description

Force field parameter class.

Definition at line 29 of file forceFieldParameters.h.

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Constructor & Destructor Documentation

BALL::ForceFieldParameters::ForceFieldParameters

(

)

Default constructor.

BALL::ForceFieldParameters::ForceFieldParameters

(

const String &

filename

)

Constructor.

BALL::ForceFieldParameters::ForceFieldParameters

(

const ForceFieldParameters &

force_field_parameter

)

Copy constructor

virtual BALL::ForceFieldParameters::~ForceFieldParameters

(

)

[virtual]

Destructor.

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Member Function Documentation

virtual void BALL::ForceFieldParameters::clear

(

)

[virtual]

Clear method

Reimplemented from BALL::Parameters.

AtomTypes& BALL::ForceFieldParameters::getAtomTypes

(

)

Return a reference to the atom type parameter section

virtual bool BALL::ForceFieldParameters::init

(

)

[virtual]

Read the contents of the INI file and interpret them.

Reimplemented from BALL::Parameters.

virtual bool BALL::ForceFieldParameters::isValid

(

)

const [virtual]

Valididty predicate. Return true if the force field parameters were correctly initialized, the internal INI file is valid and the internal atom types object is valid.

Returns:

bool - valid_ && parameter_file_.isValid() && atom_types_.isValid()

Reimplemented from BALL::Parameters.

const ForceFieldParameters& BALL::ForceFieldParameters::operator=

(

const ForceFieldParameters &

param

)

Assignment operator

bool BALL::ForceFieldParameters::operator==

(

const ForceFieldParameters &

param

)

const

Equality operator

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Friends And Related Function Documentation

friend class ForceField [friend]

Definition at line 36 of file forceFieldParameters.h.

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Member Data Documentation

AtomTypes BALL::ForceFieldParameters::atom_types_ [protected]

Definition at line 113 of file forceFieldParameters.h.