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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]`
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]`

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