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Searched refs:d_lAtomType (Results 1 – 2 of 2) sorted by relevance

/dports/science/rdkit/rdkit-Release_2021_03_5/Code/ForceField/MMFF/
H A DParams.h893 d_lAtomType.begin() + (bounds.first - d_kAtomType.begin()), in operator()
894 d_lAtomType.begin() + (bounds.second - d_kAtomType.begin()), in operator()
897 mmffOopParams = &d_params[bounds.first - d_lAtomType.begin()]; in operator()
922 std::vector<std::uint8_t> d_lAtomType; //! atom type vector for atom l variable
1049 d_lAtomType.begin() + (bounds.first - d_iAtomType.begin()), in getMMFFTorParams()
1050 d_lAtomType.begin() + (bounds.second - d_iAtomType.begin()), in getMMFFTorParams()
1054 d_torType.begin() + (bounds.first - d_lAtomType.begin()), in getMMFFTorParams()
1055 d_torType.begin() + (bounds.second - d_lAtomType.begin()), in getMMFFTorParams()
1089 std::vector<std::uint8_t> d_lAtomType; //! atom type vector for atom l variable
H A DParams.cpp4976 d_lAtomType.push_back( in MMFFOopCollection()
5295 d_lAtomType.push_back( in MMFFTorCollection()