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

/dports/science/rdkit/rdkit-Release_2021_03_5/Code/GraphMol/Descriptors/
H A DGETAWAY.cpp308 MatrixXd GetRmatrix(MatrixXd H, MatrixXd DM, int numAtoms) { in GetRmatrix() function
1189 MatrixXd R = GetRmatrix(H, DM, numAtoms); in GetGETAWAYone()
1218 MatrixXd R = GetRmatrix(H, DM, numAtoms); in GetGETAWAY()