Loading...
Searching...
No Matches
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