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::MMFF94Torsion
[inline, protected]
calculateHeuristic_
(const Atom &aj, const Atom &ak, double &v1, double &v2, double &v3)
BALL::MMFF94Torsion
[protected]
energy_
BALL::ForceFieldComponent
[protected]
force_field_
BALL::ForceFieldComponent
[protected]
ForceFieldComponent
()
BALL::ForceFieldComponent
ForceFieldComponent
(ForceField &force_field)
BALL::ForceFieldComponent
ForceFieldComponent
(const ForceFieldComponent &force_field_component)
BALL::ForceFieldComponent
getEnergy
() const
BALL::ForceFieldComponent
[virtual]
getForceField
() const
BALL::ForceFieldComponent
getName
() const
BALL::ForceFieldComponent
getTorsions
() const
BALL::MMFF94Torsion
[inline]
getTorsionType
(const vector< Atom * > &atoms) const
BALL::MMFF94Torsion
getU_
(Position e)
BALL::MMFF94Torsion
[protected]
getV_
(Position e)
BALL::MMFF94Torsion
[protected]
isEnabled
() const
BALL::ForceFieldComponent
[inline]
MMFF94Torsion
()
BALL::MMFF94Torsion
MMFF94Torsion
(ForceField &force_field)
BALL::MMFF94Torsion
MMFF94Torsion
(const MMFF94Torsion &MMFF94_stretch)
BALL::MMFF94Torsion
parameters_
BALL::MMFF94Torsion
[protected]
setEnabled
(bool state)
BALL::ForceFieldComponent
[inline]
setForceField
(ForceField &force_field)
BALL::ForceFieldComponent
setName
(const String &name)
BALL::ForceFieldComponent
setup
()
BALL::MMFF94Torsion
[virtual]
torsions_
BALL::MMFF94Torsion
[protected]
update
()
BALL::ForceFieldComponent
[virtual]
updateEnergy
()
BALL::MMFF94Torsion
[virtual]
updateForces
()
BALL::MMFF94Torsion
[virtual]
~ForceFieldComponent
()
BALL::ForceFieldComponent
[virtual]
~MMFF94Torsion
()
BALL::MMFF94Torsion
[virtual]