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

/dports/science/rdkit/rdkit-Release_2021_03_5/Code/ForceField/MMFF/
H A DtestMMFFForceField.cpp425 std::vector<StretchBendInstance *> refStretchBendInstanceVec; in mmffValidationSuite() local
888 refStretchBendInstanceVec.clear(); in mmffValidationSuite()
913 std::sort(refStretchBendInstanceVec.begin(), in mmffValidationSuite()
914 refStretchBendInstanceVec.end(), in mmffValidationSuite()
926 refStretchBendInstanceVec.size()); in mmffValidationSuite()
931 << refStretchBendInstanceVec.size() in mmffValidationSuite()
940 refStretchBendInstanceVec[j]->iAtomType) || in mmffValidationSuite()
942 refStretchBendInstanceVec[j]->jAtomType) || in mmffValidationSuite()
944 refStretchBendInstanceVec[j]->kAtomType) || in mmffValidationSuite()
946 refStretchBendInstanceVec[j]->ffType) || in mmffValidationSuite()
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