BALL::MMFF94AtomTypes Class Reference
[MMFF94 Force Field.]

#include <BALL/MOLMEC/MMFF94/MMFF94Parameters.h>

Inheritance diagram for BALL::MMFF94AtomTypes:

List of all members.

Public Member Functions
	MMFF94AtomTypes ()
	MMFF94AtomTypes (const MMFF94AtomTypes &to_copy)
	~MMFF94AtomTypes ()
const vector< MMFF94AtomType > &	getAtomTypes () const
Protected Member Functions
virtual bool	setup_ (const vector< vector< String > > &)
Protected Attributes
vector< MMFF94AtomType >	data_

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Detailed Description

MMFF94 parameters for atom types (see MMFFPROP.PAR)

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Constructor & Destructor Documentation

BALL::MMFF94AtomTypes::MMFF94AtomTypes

(

)

BALL::MMFF94AtomTypes::MMFF94AtomTypes

(

const MMFF94AtomTypes &

to_copy

)

BALL::MMFF94AtomTypes::~MMFF94AtomTypes

(

)

[inline]

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Member Function Documentation

const vector<MMFF94AtomType>& BALL::MMFF94AtomTypes::getAtomTypes

(

)

const [inline]

virtual bool BALL::MMFF94AtomTypes::setup_

(

const vector< vector< String > > &

)

[protected, virtual]

Reimplemented from BALL::MMFF94ParametersBase.

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Member Data Documentation

vector<MMFF94AtomType> BALL::MMFF94AtomTypes::data_ [protected]