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