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] |