Open Babel  3.0
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) constOBFFConstraints
GetConstraintAtomB(int index) constOBFFConstraints
GetConstraintAtomC(int index) constOBFFConstraints
GetConstraintAtomD(int index) constOBFFConstraints
GetConstraintEnergy()OBFFConstraints
GetConstraintType(int index) constOBFFConstraints
GetConstraintValue(int index) constOBFFConstraints
GetFactor()OBFFConstraints
GetFixedBitVec()OBFFConstraintsinline
GetGradient(int a)OBFFConstraints
GetIgnoredBitVec()OBFFConstraintsinline
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)OBFFConstraintsinline
SetFactor(double factor)OBFFConstraints
Setup(OBMol &mol)OBFFConstraints
Size() constOBFFConstraints
~OBFFConstraints()OBFFConstraintsinline