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] |