clear() | MMFF94NonBonded | [virtual] |
determineMethodOfAtomPairGeneration() | MMFF94NonBonded | [virtual] |
energy_ (defined in ForceFieldComponent) | ForceFieldComponent | [protected] |
es_energy_ (defined in MMFF94NonBonded) | MMFF94NonBonded | [protected] |
force_field_ (defined in ForceFieldComponent) | ForceFieldComponent | [protected] |
ForceFieldComponent() | ForceFieldComponent | |
ForceFieldComponent(ForceField &force_field) | ForceFieldComponent | |
ForceFieldComponent(const ForceFieldComponent &force_field_component) | ForceFieldComponent | |
getAtomPairs() const (defined in MMFF94NonBonded) | MMFF94NonBonded | |
getEnergy() const | ForceFieldComponent | [virtual] |
getESEnergy() const (defined in MMFF94NonBonded) | MMFF94NonBonded | |
getForceField() const | ForceFieldComponent | |
getName() const | ForceFieldComponent | |
getNonBondedData() const (defined in MMFF94NonBonded) | MMFF94NonBonded | |
getVDWEnergy() const (defined in MMFF94NonBonded) | MMFF94NonBonded | |
isEnabled() const (defined in ForceFieldComponent) | ForceFieldComponent | |
MMFF94NonBonded() | MMFF94NonBonded | |
MMFF94NonBonded(ForceField &force_field) | MMFF94NonBonded | |
MMFF94NonBonded(const MMFF94NonBonded &MMFF94_non_bonded) | MMFF94NonBonded | |
operator=(const MMFF94NonBonded &anb) | MMFF94NonBonded | |
operator==(const MMFF94NonBonded &anb) | MMFF94NonBonded | |
setEnabled(bool state) (defined in ForceFieldComponent) | ForceFieldComponent | |
setForceField(ForceField &force_field) | ForceFieldComponent | |
setName(const String &name) | ForceFieldComponent | |
setup() | MMFF94NonBonded | [virtual] |
update() | MMFF94NonBonded | [virtual] |
updateEnergy() | MMFF94NonBonded | [virtual] |
updateForces() | MMFF94NonBonded | [virtual] |
vdw_energy_ (defined in MMFF94NonBonded) | MMFF94NonBonded | [protected] |
~ForceFieldComponent() | ForceFieldComponent | [virtual] |
~MMFF94NonBonded() | MMFF94NonBonded | [virtual] |