Searched refs:_torsionAngles (Results 1 – 2 of 2) sorted by relevance
143 std::vector<double> _torsionAngles; //!< torsion resolution variable202 _torsionAngles = angles; in SetTorsionValues()350 return _torsionAngles.size(); in Size()387 return _torsionAngles; in GetTorsionValues()415 return _torsionAngles.begin(); in BeginTorIncrement()419 return _torsionAngles.end(); in EndTorIncrement()442 std::vector<double> &GetResolution() { return _torsionAngles; } in GetResolution()
583 ang = _torsionAngles[idx] - CalcTorsion(c); in SetRotor()585 ang = _torsionAngles[idx] - _torsionAngles[prev]; in SetRotor()612 ang = _torsionAngles[idx] - _refang; in Set()681 for (j = _torsionAngles.begin();j != _torsionAngles.end();++j) in Precalc()751 if (_torsionAngles.size() == 1) in RemoveSymTorsionValues()754 for (i = _torsionAngles.begin();i != _torsionAngles.end();++i) in RemoveSymTorsionValues()760 _torsionAngles = tv; in RemoveSymTorsionValues()