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

/dports/science/rdkit/rdkit-Release_2021_03_5/Code/GraphMol/ForceFieldHelpers/MMFF/
H A DAtomTyper.h41 RDKIT_FORCEFIELDHELPERS_EXPORT const ForceFields::MMFF::MMFFOopCollection *getMMFFOop(const bool is…
H A DAtomTyper.cpp94 const MMFFOopCollection *getMMFFOop(const bool isMMFFs) { in getMMFFOop() function
3853 DefaultParameters::getMMFFOop(getMMFFVariant() == "MMFF94s"); in getMMFFOopBendParams()