BALL::MMFF94StretchBend Member List

This is the complete list of members for BALL::MMFF94StretchBend, including all inherited members.

AddDV3_(Vector3 &f3, const TVector3< double > d3)	BALL::MMFF94StretchBend	inlineprivate
bend_c_	BALL::MMFF94StretchBend	privatestatic
bend_elements_	BALL::MMFF94StretchBend	privatestatic
bend_enabled_	BALL::MMFF94StretchBend	private
bend_energy_	BALL::MMFF94StretchBend	private
bend_parameters_	BALL::MMFF94StretchBend	private
bend_z_	BALL::MMFF94StretchBend	privatestatic
bends_	BALL::MMFF94StretchBend	private
calculateBendEmpiricalForceConstant(Atom &atom1, Atom &atom2, Atom &atom3, double angle_0) const	BALL::MMFF94StretchBend
calculateBendEmpiricalReferenceAngle(Atom &atom1, Atom &atom2, Atom &atom3) const	BALL::MMFF94StretchBend
calculateDeltas_()	BALL::MMFF94StretchBend	private
calculateSBTIJK(Position angle_type, bool bond_type1, bool bond_type2)	BALL::MMFF94StretchBend
calculateStretchConstant(const Bond &bond, double r0)	BALL::MMFF94StretchBend
calculateStretchR0(const Bond &bond)	BALL::MMFF94StretchBend
energy_	BALL::ForceFieldComponent	protected
errorOccured_(const String &string, const Atom &a1, const Atom &a2, const Atom &a3)	BALL::MMFF94StretchBend	private
force_field_	BALL::ForceFieldComponent	protected
ForceFieldComponent()	BALL::ForceFieldComponent
ForceFieldComponent(ForceField &force_field)	BALL::ForceFieldComponent
ForceFieldComponent(const ForceFieldComponent &force_field_component)	BALL::ForceFieldComponent
getBendEnergy() const	BALL::MMFF94StretchBend
getBends() const	BALL::MMFF94StretchBend	inline
getBendType(const Bond &bond1, const Bond &bond2, Atom &atom1, Atom &atom2, Atom &atom3) const	BALL::MMFF94StretchBend
getEnergy() const	BALL::ForceFieldComponent	virtual
getForceField() const	BALL::ForceFieldComponent
getName() const	BALL::ForceFieldComponent
getStretchBendEnergy() const	BALL::MMFF94StretchBend
getStretchBends() const	BALL::MMFF94StretchBend	inline
getStretchEnergy() const	BALL::MMFF94StretchBend
getStretches() const	BALL::MMFF94StretchBend	inline
isEnabled() const	BALL::ForceFieldComponent	inline
mmff94_	BALL::MMFF94StretchBend	private
MMFF94StretchBend()	BALL::MMFF94StretchBend
MMFF94StretchBend(ForceField &force_field)	BALL::MMFF94StretchBend
MMFF94StretchBend(const MMFF94StretchBend &to_copy)	BALL::MMFF94StretchBend
sb_parameters_	BALL::MMFF94StretchBend	private
setEnabled(bool state)	BALL::ForceFieldComponent	inline
setForceField(ForceField &force_field)	BALL::ForceFieldComponent
setName(const String &name)	BALL::ForceFieldComponent
setup()	BALL::MMFF94StretchBend	virtual
setupBends_()	BALL::MMFF94StretchBend	private
setupStretchBends_()	BALL::MMFF94StretchBend	private
setupStretches_()	BALL::MMFF94StretchBend	private
stretch_bend_energy_	BALL::MMFF94StretchBend	private
stretch_bends_	BALL::MMFF94StretchBend	private
stretch_enabled_	BALL::MMFF94StretchBend	private
stretch_energy_	BALL::MMFF94StretchBend	private
stretch_parameters_	BALL::MMFF94StretchBend	private
stretchbend_enabled_	BALL::MMFF94StretchBend	private
stretches_	BALL::MMFF94StretchBend	private
update()	BALL::ForceFieldComponent	virtual
updateBendEnergy()	BALL::MMFF94StretchBend	virtual
updateBendForces()	BALL::MMFF94StretchBend	virtual
updateEnergy()	BALL::MMFF94StretchBend	virtual
updateForces()	BALL::MMFF94StretchBend	virtual
updateStretchBendEnergy()	BALL::MMFF94StretchBend	virtual
updateStretchBendForces()	BALL::MMFF94StretchBend	virtual
updateStretchEnergy()	BALL::MMFF94StretchBend	virtual
updateStretchForces()	BALL::MMFF94StretchBend	virtual
~ForceFieldComponent()	BALL::ForceFieldComponent	virtual
~MMFF94StretchBend()	BALL::MMFF94StretchBend	virtual