| assignParameters(Position at1, Position at2,
double &rij, double &rij_7_, double &eij) const
(defined in BALL::MMFF94VDWParameters) |
BALL::MMFF94VDWParameters |
|
| calculated_ (defined in BALL::MMFF94VDWParameters) |
BALL::MMFF94VDWParameters |
[mutable, protected] |
|
clear() |
BALL::MMFF94VDWParameters |
[virtual] |
| eij_ (defined in BALL::MMFF94VDWParameters) |
BALL::MMFF94VDWParameters |
[mutable, protected] |
| equiv_ (defined in BALL::MMFF94ParametersBase) |
BALL::MMFF94ParametersBase |
[protected] |
|
getParameters(Index at) const |
BALL::MMFF94VDWParameters |
|
| getR(Position atom_type) const (defined in
BALL::MMFF94VDWParameters) |
BALL::MMFF94VDWParameters |
|
| is_initialized_ (defined in BALL::MMFF94ParametersBase) |
BALL::MMFF94ParametersBase |
[protected] |
| isInitialized() (defined in BALL::MMFF94ParametersBase) |
BALL::MMFF94ParametersBase |
|
|
MMFF94ParametersBase() |
BALL::MMFF94ParametersBase |
|
|
MMFF94VDWParameters() |
BALL::MMFF94VDWParameters |
|
| number_expected_fields_ (defined in BALL::MMFF94ParametersBase) |
BALL::MMFF94ParametersBase |
[protected] |
|
operator=(const MMFF94VDWParameters ¶m) |
BALL::MMFF94VDWParameters |
|
|
BALL::MMFF94ParametersBase::operator=(const
MMFF94ParametersBase &) |
BALL::MMFF94ParametersBase |
|
|
parameters_ |
BALL::MMFF94VDWParameters |
[protected] |
| readParameters(Parameters &p, const String
§ion) (defined in BALL::MMFF94ParametersBase) |
BALL::MMFF94ParametersBase |
|
| rij_ (defined in BALL::MMFF94VDWParameters) |
BALL::MMFF94VDWParameters |
[mutable, protected] |
| rij_7_ (defined in BALL::MMFF94VDWParameters) |
BALL::MMFF94VDWParameters |
[mutable, protected] |
| rs_ (defined in BALL::MMFF94VDWParameters) |
BALL::MMFF94VDWParameters |
[mutable, protected] |
| setEquivalences(const MMFF94AtomTypeEquivalences
&equi) (defined in BALL::MMFF94ParametersBase) |
BALL::MMFF94ParametersBase |
|
| setup_(const vector< vector< String >
> &) (defined in BALL::MMFF94VDWParameters) |
BALL::MMFF94VDWParameters |
[protected, virtual] |
|
~MMFF94ParametersBase() |
BALL::MMFF94ParametersBase |
[virtual] |
|
~MMFF94VDWParameters() |
BALL::MMFF94VDWParameters |
[virtual] |