Searched refs:GetTypedParameter2Atom (Results 1 – 2 of 2) sorted by relevance
| /dports/science/openbabel/openbabel-3.1.1/src/forcefields/ |
| H A D | forcefieldmmff94.h | 196 …OBFFParameter* GetTypedParameter2Atom(int ffclass, int a, int b, std::vector<OBFFParameter> ¶m…
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| H A D | forcefieldmmff94.cpp | 2735 …parameter = GetTypedParameter2Atom(bondtype, atoi(a->GetType()), atoi(b->GetType()), _ffbondparams… in SetupCalculations()
4997 …parameter = GetTypedParameter2Atom(GetBondType(a, b), atoi(a->GetType()), atoi(b->GetType()), _ffb… in GetBondLength()
5139 …OBFFParameter* OBForceFieldMMFF94::GetTypedParameter2Atom(int ffclass, int a, int b, std::vector<O… in GetTypedParameter2Atom() function in OpenBabel::OBForceFieldMMFF94
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