#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 |
Defines | |
| #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) | |
| #define MMFF94_INVALID_VALUE 99.0 |