AddDV3_(Vector3 &f3, const TVector3< double > d3) (defined in MMFF94OutOfPlaneBend) | MMFF94OutOfPlaneBend | |
energy_ (defined in ForceFieldComponent) | ForceFieldComponent | [protected] |
force_field_ (defined in ForceFieldComponent) | ForceFieldComponent | [protected] |
ForceFieldComponent() | ForceFieldComponent | |
ForceFieldComponent(ForceField &force_field) | ForceFieldComponent | |
ForceFieldComponent(const ForceFieldComponent &force_field_component) | ForceFieldComponent | |
getEnergy() const | ForceFieldComponent | [virtual] |
getForceField() const | ForceFieldComponent | |
getName() const | ForceFieldComponent | |
getOutOfPlaneBends() const (defined in MMFF94OutOfPlaneBend) | MMFF94OutOfPlaneBend | |
isEnabled() const (defined in ForceFieldComponent) | ForceFieldComponent | |
MMFF94OutOfPlaneBend() | MMFF94OutOfPlaneBend | |
MMFF94OutOfPlaneBend(ForceField &force_field) | MMFF94OutOfPlaneBend | |
MMFF94OutOfPlaneBend(const MMFF94OutOfPlaneBend &to_copy) | MMFF94OutOfPlaneBend | |
setEnabled(bool state) (defined in ForceFieldComponent) | ForceFieldComponent | |
setForceField(ForceField &force_field) | ForceFieldComponent | |
setName(const String &name) | ForceFieldComponent | |
setup() | MMFF94OutOfPlaneBend | [virtual] |
update() | ForceFieldComponent | [virtual] |
updateEnergy() | MMFF94OutOfPlaneBend | [virtual] |
updateForces() | MMFF94OutOfPlaneBend | [virtual] |
~ForceFieldComponent() | ForceFieldComponent | [virtual] |
~MMFF94OutOfPlaneBend() | MMFF94OutOfPlaneBend | [virtual] |