| AddDV3_(Vector3 &f3, const TVector3< double > d3) (defined in MMFF94Torsion) | MMFF94Torsion | [protected] |
| calculateHeuristic_(const Atom &aj, const Atom &ak, double &v1, double &v2, double &v3) (defined in MMFF94Torsion) | MMFF94Torsion | [protected] |
| 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 | |
| getTorsions() const (defined in MMFF94Torsion) | MMFF94Torsion | |
| getTorsionType(const vector< Atom * > &atoms) const (defined in MMFF94Torsion) | MMFF94Torsion | |
| getU_(Position e) (defined in MMFF94Torsion) | MMFF94Torsion | [protected] |
| getV_(Position e) (defined in MMFF94Torsion) | MMFF94Torsion | [protected] |
| isEnabled() const (defined in ForceFieldComponent) | ForceFieldComponent | |
| MMFF94Torsion() | MMFF94Torsion | |
| MMFF94Torsion(ForceField &force_field) | MMFF94Torsion | |
| MMFF94Torsion(const MMFF94Torsion &MMFF94_stretch) | MMFF94Torsion | |
| parameters_ (defined in MMFF94Torsion) | MMFF94Torsion | [protected] |
| setEnabled(bool state) (defined in ForceFieldComponent) | ForceFieldComponent | |
| setForceField(ForceField &force_field) | ForceFieldComponent | |
| setName(const String &name) | ForceFieldComponent | |
| setup() | MMFF94Torsion | [virtual] |
| torsions_ (defined in MMFF94Torsion) | MMFF94Torsion | [protected] |
| update() | ForceFieldComponent | [virtual] |
| updateEnergy() | MMFF94Torsion | [virtual] |
| updateForces() | MMFF94Torsion | [virtual] |
| ~ForceFieldComponent() | ForceFieldComponent | [virtual] |
| ~MMFF94Torsion() | MMFF94Torsion | [virtual] |