ForceFieldParameters Class Reference
[Force Field Parameters]

Force field parameter class. More...

#include <forceFieldParameters.h>

Inheritance diagram for ForceFieldParameters:

List of all members.

Public Member Functions
Constructors and destructor
	ForceFieldParameters ()
	Default constructor.
	ForceFieldParameters (const String &filename)
	Constructor.
	ForceFieldParameters (const ForceFieldParameters &force_field_parameter)
	Copy constructor.
virtual	~ForceFieldParameters () throw ()
	Destructor.
Assignment
virtual void	clear () throw ()
	Clear method.
const ForceFieldParameters &	operator= (const ForceFieldParameters &param)
	Assignment operator.
Accessors
AtomTypes &	getAtomTypes ()
	Return a reference to the atom type parameter section.
virtual bool	init ()
	Read the contents of the INI file and interpret them.
Predicates
virtual bool	isValid () const
	Valididty predicate.
bool	operator== (const ForceFieldParameters &param) const
	Equality operator.
Protected Attributes
AtomTypes	atom_types_
Friends
class	ForceField

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Detailed Description

Force field parameter class.

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Constructor & Destructor Documentation

ForceFieldParameters::ForceFieldParameters (   )

Default constructor.

ForceFieldParameters::ForceFieldParameters (  const String &  filename  )

Constructor.

virtual ForceFieldParameters::~ForceFieldParameters (   )  throw () [virtual]

Destructor.

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Member Function Documentation

virtual bool ForceFieldParameters::init (   )  [virtual]

Read the contents of the INI file and interpret them. Reimplemented from Parameters.

virtual bool 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 Parameters.