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MMFF94VDWParameters Member List

This is the complete list of members for MMFF94VDWParameters, 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 &param)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]