Searched refs:HATSet (Results 1 – 1 of 1) sorted by relevance
| /dports/science/rdkit/rdkit-Release_2021_03_5/Code/GraphMol/Descriptors/ |
| H A D | GETAWAY.cpp | 691 double HATSut, HATSmt, HATSvt, HATSet, HATSpt, HATSit, HATSst; in getGETAWAYDesc() local
714 HATSet = 0.0; in getGETAWAYDesc()
834 HATSet += 2 * getHATS((double)We(j), (double)We(k), (double)H(j, j), in getGETAWAYDesc()
1015 double HATSTe = HATSk[3][0] + HATSet; in getGETAWAYDesc()
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