OBRotor Member List

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

BeginTorIncrement()OBRotor [inline]
CalcBondLength(double *)OBRotor
CalcTorsion(double *)OBRotor
EndTorIncrement()OBRotor [inline]
GetBond()OBRotor [inline]
GetDelta()OBRotor [inline]
GetDihedralAtoms(int ref[4])OBRotor [inline]
GetDihedralAtoms()OBRotor [inline]
GetEvalAtoms()OBRotor [inline]
GetFixedAtoms()OBRotor [inline]
GetIdx() const OBRotor [inline]
GetResolution()OBRotor [inline]
GetRotAtoms()OBRotor [inline]
OBRotor()OBRotor
Precalc(std::vector< double * > &)OBRotor
Precompute(double *)OBRotor
RemoveSymTorsionValues(int)OBRotor
Set(double *, int)OBRotor
Set(double *c, int ridx, int cidx)OBRotor [inline]
Set(double *, double, double, double, double)OBRotor
SetBond(OBBond *bond)OBRotor [inline]
SetDelta(double d)OBRotor [inline]
SetDihedralAtoms(std::vector< int > &vi)OBRotor [inline]
SetDihedralAtoms(int ref[4])OBRotor
SetEvalAtoms(OBBitVec &bv)OBRotor [inline]
SetFixedAtoms(OBBitVec &bv)OBRotor [inline]
SetIdx(int idx)OBRotor [inline]
SetNumCoords(int nc)OBRotor [inline]
SetRotAtoms(std::vector< int > &)OBRotor
SetRotor(double *, int, int prev=-1)OBRotor
SetToAngle(double *c, double setang)OBRotor [inline]
SetTorsionValues(std::vector< double > &tmp)OBRotor [inline]
Size()OBRotor [inline]
~OBRotor()OBRotor [inline]