BALL  1.4.2
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BALL::MMFF94Torsion Member List

This is the complete list of members for BALL::MMFF94Torsion, including all inherited members.

AddDV3_(Vector3 &f3, const TVector3< double > d3)BALL::MMFF94Torsioninlineprotected
calculateHeuristic_(const Atom &aj, const Atom &ak, double &v1, double &v2, double &v3)BALL::MMFF94Torsionprotected
energy_BALL::ForceFieldComponentprotected
force_field_BALL::ForceFieldComponentprotected
ForceFieldComponent()BALL::ForceFieldComponent
ForceFieldComponent(ForceField &force_field)BALL::ForceFieldComponent
ForceFieldComponent(const ForceFieldComponent &force_field_component)BALL::ForceFieldComponent
getEnergy() const BALL::ForceFieldComponentvirtual
getForceField() const BALL::ForceFieldComponent
getName() const BALL::ForceFieldComponent
getTorsions() const BALL::MMFF94Torsioninline
getTorsionType(const vector< Atom * > &atoms) const BALL::MMFF94Torsion
getU_(Position e)BALL::MMFF94Torsionprotected
getV_(Position e)BALL::MMFF94Torsionprotected
isEnabled() const BALL::ForceFieldComponentinline
MMFF94Torsion()BALL::MMFF94Torsion
MMFF94Torsion(ForceField &force_field)BALL::MMFF94Torsion
MMFF94Torsion(const MMFF94Torsion &MMFF94_stretch)BALL::MMFF94Torsion
parameters_BALL::MMFF94Torsionprotected
setEnabled(bool state)BALL::ForceFieldComponentinline
setForceField(ForceField &force_field)BALL::ForceFieldComponent
setName(const String &name)BALL::ForceFieldComponent
setup()BALL::MMFF94Torsionvirtual
torsions_BALL::MMFF94Torsionprotected
update()BALL::ForceFieldComponentvirtual
updateEnergy()BALL::MMFF94Torsionvirtual
updateForces()BALL::MMFF94Torsionvirtual
~ForceFieldComponent()BALL::ForceFieldComponentvirtual
~MMFF94Torsion()BALL::MMFF94Torsionvirtual
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