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]
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]