Searched refs:HATSu (Results 1 – 1 of 1) sorted by relevance
| /dports/science/rdkit/rdkit-Release_2021_03_5/Code/GraphMol/Descriptors/ |
| H A D | GETAWAY.cpp | 690 double HATSu, HATSm, HATSv, HATSe, HATSp, HATSi, HATSs; in getGETAWAYDesc() local
741 HATSu = 0.0; in getGETAWAYDesc()
761 HATSu += getHATS((double)Wu(j), (double)Wu(j), (double)H(j, j), in getGETAWAYDesc()
795 HATSu += getHATS((double)Wu(j), (double)Wu(k), (double)H(j, j), in getGETAWAYDesc()
858 HATSk[0][i] = HATSu; in getGETAWAYDesc()
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