Home
last modified time | relevance | path

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

/dports/science/libghemical/libghemical-3.0.0/src/
H A Dsearch.cpp530 bool bonded_to_r = false; in transition_state_search() local
533 if ((* it1).atmr[0] == atab1[n1]) bonded_to_r = true; in transition_state_search()
534 if ((* it1).atmr[1] == atab1[n1]) bonded_to_r = true; in transition_state_search()
544 if (bonded_to_r && bonded_to_p) continue; // no such cases should exist, ignored... in transition_state_search()
597 if (bonded_to_r && !bonded_to_p) bvect_r.push_back(& (* it1)); in transition_state_search()
598 else if (!bonded_to_r && bonded_to_p) bvect_p.push_back(& (* it1)); in transition_state_search()