Searched refs:bestconf (Results 1 – 1 of 1) sorted by relevance
1323 …double *bestconf = new double [_mol.NumAtoms() * 3]; // store the best conformer to date in the cu… in FastRotorSearch() local1325 memcpy((char*)bestconf,(char*)_mol.GetCoordinates(),sizeof(double)*3*_mol.NumAtoms()); in FastRotorSearch()1380 _mol.SetCoordinates(bestconf); in FastRotorSearch()1407 memcpy((char*)bestconf,(char*)minconf,sizeof(double)*3*_mol.NumAtoms()); in FastRotorSearch()1412 memcpy((char*)verybestconf,(char*)bestconf,sizeof(double)*3*_mol.NumAtoms()); in FastRotorSearch()1422 delete [] bestconf; in FastRotorSearch()