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MMFF94AtomTypes Class Reference
[MMFF94 Force Field.]

MMFF94 parameters for atom types (see MMFFPROP.PAR). More...

#include <MMFF94Parameters.h>

Inheritance diagram for MMFF94AtomTypes:

MMFF94ParametersBase List of all members.

Public Member Functions

 MMFF94AtomTypes (const MMFF94AtomTypes &to_copy)
const vector< MMFF94AtomType > & getAtomTypes () const

Protected Member Functions

virtual bool setup_ (const vector< vector< String > > &)

Protected Attributes

vector< MMFF94AtomType > data_

Detailed Description

MMFF94 parameters for atom types (see MMFFPROP.PAR).