OBFFConstraints Member List

This is the complete list of members for OBFFConstraints, including all inherited members.

AddAngleConstraint(int a, int b, int c, double angle)	OBFFConstraints
AddAtomConstraint(int a)	OBFFConstraints
AddAtomXConstraint(int a)	OBFFConstraints
AddAtomYConstraint(int a)	OBFFConstraints
AddAtomZConstraint(int a)	OBFFConstraints
AddDistanceConstraint(int a, int b, double length)	OBFFConstraints
AddIgnore(int a)	OBFFConstraints
AddTorsionConstraint(int a, int b, int c, int d, double torsion)	OBFFConstraints
Clear()	OBFFConstraints
DeleteConstraint(int index)	OBFFConstraints
GetConstraintAtomA(int index) const	OBFFConstraints
GetConstraintAtomB(int index) const	OBFFConstraints
GetConstraintAtomC(int index) const	OBFFConstraints
GetConstraintAtomD(int index) const	OBFFConstraints
GetConstraintEnergy()	OBFFConstraints
GetConstraintType(int index) const	OBFFConstraints
GetConstraintValue(int index) const	OBFFConstraints
GetFactor()	OBFFConstraints
GetFixedBitVec()	OBFFConstraints	inline
GetGradient(int a)	OBFFConstraints
GetIgnoredBitVec()	OBFFConstraints	inline
IsFixed(int a)	OBFFConstraints
IsIgnored(int a)	OBFFConstraints
IsXFixed(int a)	OBFFConstraints
IsYFixed(int a)	OBFFConstraints
IsZFixed(int a)	OBFFConstraints
OBFFConstraints()	OBFFConstraints
operator=(const OBFFConstraints &ai)	OBFFConstraints	inline
SetFactor(double factor)	OBFFConstraints
Setup(OBMol &mol)	OBFFConstraints
Size() const	OBFFConstraints
~OBFFConstraints()	OBFFConstraints	inline