MMFF94Parameters.h File Reference

#include <BALL/common.h>
#include <BALL/DATATYPE/hashMap.h>

Go to the source code of this file.

Classes
class	BALL::MMFF94ParametersBase
class	BALL::MMFF94AtomTypeEquivalences
struct	BALL::MMFF94AtomType
	Class to store the values of an atom type from MMFFPROP.PAR. More...
class	BALL::MMFF94AtomTypes
class	BALL::MMFF94StretchParameters
struct	BALL::MMFF94StretchParameters::BondData
struct	BALL::MMFF94StretchParameters::EmpiricalBondData
class	BALL::MMFF94BendParameters
class	BALL::MMFF94StretchBendParameters
class	BALL::MMFF94TorsionParameters
class	BALL::MMFF94PlaneParameters
class	BALL::MMFF94VDWParameters
struct	BALL::MMFF94VDWParameters::VDWEntry
class	BALL::MMFF94ESParameters

Namespaces
namespace	BALL

Macros
#define	MMFF94_INVALID_VALUE   99.0

Functions
Position	BALL::getMMFF94Index (Position atom_type1, Position atom_type2)

Variables
Size	BALL::MMFF94_number_atom_types
	hold the maximum number of MMFF94 atom types + 1 (wildcard)

Macro Definition Documentation

MMFF94_INVALID_VALUE

#define MMFF94_INVALID_VALUE   99.0

Definition at line 33 of file MMFF94Parameters.h.