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

/dports/science/rdkit/rdkit-Release_2021_03_5/Code/ForceField/MMFF/
H A DtestMMFFForceField.h76 void fixTorsionInstance(TorsionInstance *torsionInstance);
H A DtestMMFFForceField.cpp210 void fixTorsionInstance(TorsionInstance *torsionInstance) { in fixTorsionInstance() function
1176 fixTorsionInstance(torsionInstance); in mmffValidationSuite()
1227 fixTorsionInstance(torsionInstance); in mmffValidationSuite()