| clear() | MMFF94ESParameters | [virtual] |
| equiv_ (defined in MMFF94ParametersBase) | MMFF94ParametersBase | [protected] |
| getIndex_(Position at1, Position at2, Position bt) const (defined in MMFF94ESParameters) | MMFF94ESParameters | [protected] |
| getPartialCharge(Position at1, Position at2, Position bt) const | MMFF94ESParameters | |
| getPBCI(Index atom_type) const (defined in MMFF94ESParameters) | MMFF94ESParameters | |
| getPhi(Index atom_type) const (defined in MMFF94ESParameters) | MMFF94ESParameters | |
| is_initialized_ (defined in MMFF94ParametersBase) | MMFF94ParametersBase | [protected] |
| isInitialized() (defined in MMFF94ParametersBase) | MMFF94ParametersBase | |
| MMFF94ESParameters() | MMFF94ESParameters | |
| MMFF94ParametersBase() | MMFF94ParametersBase | |
| number_expected_fields_ (defined in MMFF94ParametersBase) | MMFF94ParametersBase | [protected] |
| operator=(const MMFF94ESParameters ¶m) | MMFF94ESParameters | |
| MMFF94ParametersBase::operator=(const MMFF94ParametersBase &) | MMFF94ParametersBase | |
| parameters_ | MMFF94ESParameters | [protected] |
| pbcis_ | MMFF94ESParameters | [protected] |
| phis_ | MMFF94ESParameters | [protected] |
| readEmpericalParameters(const String &filename) (defined in MMFF94ESParameters) | MMFF94ESParameters | |
| readParameters(const String &filename) (defined in MMFF94ParametersBase) | MMFF94ParametersBase | |
| setEquivalences(const MMFF94AtomTypeEquivalences &equi) (defined in MMFF94ParametersBase) | MMFF94ParametersBase | |
| setup_(const vector< vector< String > > &) (defined in MMFF94ESParameters) | MMFF94ESParameters | [protected, virtual] |
| ~MMFF94ESParameters() | MMFF94ESParameters | [virtual] |
| ~MMFF94ParametersBase() | MMFF94ParametersBase | [virtual] |