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