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OBRotor Member List

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

BeginTorIncrement() | OBRotor | inline
CalcBondLength(double *coordinates) | OBRotor |
CalcTorsion(double *coordinates) | 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
GetFixedBonds() | OBRotor | inline
GetIdx() const | OBRotor | inline
GetResolution() | OBRotor | inline
GetRotAtoms() const | OBRotor | inline
GetRotAtoms() | OBRotor | inline
GetTorsionValues() const | OBRotor | inline
OBRotor() | OBRotor |
Precalc(std::vector< double * > &conformers) | OBRotor |
Precompute(double *coordinates) | OBRotor |
RemoveSymTorsionValues(int) | OBRotor |
Set(double *coordinates, double sine, double cosine, double translation, double invmag) | OBRotor |
Set(double *coordinates, int idx) | OBRotor |
Set(double *coordinates, int conformer, int idx) | OBRotor | inline
SetBond(OBBond *bond) | OBRotor | inline
SetDelta(double d) | OBRotor | inline
SetDihedralAtoms(std::vector< int > &ref) | OBRotor |
SetDihedralAtoms(int ref[4]) | OBRotor |
SetEvalAtoms(OBBitVec &bv) | OBRotor | inline
SetFixedAtoms(OBBitVec &bv) | OBRotor | inline
SetFixedBonds(OBBitVec &bv) | OBRotor | inline
SetIdx(int idx) | OBRotor | inline
SetNumCoords(int nc) | OBRotor | inline
SetRings() | OBRotor |
SetRotAtoms(std::vector< int > &atoms) | OBRotor |
SetRotor(double *coordinates, int next, int prev=-1) | OBRotor |
SetToAngle(double *coordinates, double setang) | OBRotor | inline
SetTorsionValues(std::vector< double > &angles) | OBRotor | inline
Size() | OBRotor | inline
~OBRotor() | OBRotor | inline