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

/dports/science/rdkit/rdkit-Release_2021_03_5/Code/ForceField/MMFF/
H A DtestMMFFForceField.cpp35 #define FCON_TOLERANCE 0.05 macro
631 refBondStretchInstanceVec[j]->kb) > FCON_TOLERANCE)); in mmffValidationSuite()
787 refAngleBendInstanceVec[j]->ka) > FCON_TOLERANCE)); in mmffValidationSuite()
948 refStretchBendInstanceVec[j]->kba) > FCON_TOLERANCE)); in mmffValidationSuite()
1106 refOopBendInstanceVec[j]->koop) > FCON_TOLERANCE)); in mmffValidationSuite()
1272 refTorsionInstanceVec[j]->V1) > FCON_TOLERANCE) || in mmffValidationSuite()
1274 refTorsionInstanceVec[j]->V2) > FCON_TOLERANCE) || in mmffValidationSuite()
1276 refTorsionInstanceVec[j]->V3) > FCON_TOLERANCE)); in mmffValidationSuite()