Searched refs:HATSe (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
744 HATSe = 0.0; in getGETAWAYDesc()
767 HATSe += getHATS((double)We(j), (double)We(j), (double)H(j, j), in getGETAWAYDesc()
801 HATSe += getHATS((double)We(j), (double)We(k), (double)H(j, j), in getGETAWAYDesc()
861 HATSk[3][i] = HATSe; in getGETAWAYDesc()
|