/***** This file is part of the Babel Program Copyright (C) 1992-96 W. Patrick Walters and Matthew T. Stahl All Rights Reserved All Rights Reserved All Rights Reserved All Rights Reserved For more information please contact : babel@mercury.aichem.arizona.edu -------------------------------------------------------------------------------- FILE : combine.c AUTHOR(S) : Pat Walters DATE : 11-92 PURPOSE : routines to combine the contents of 2 UMS structures ******/ #include "bbltyp.h" static warning wstr; int borrow_types(ums_type *mol1, ums_type *mol2) { int count1, count2; int replaced; for (count1 = 1; count1 <= mol1->num_atoms; count1 ++) { replaced = FALSE; for (count2 = 1; count2 <= mol2->num_atoms; count2 ++) { if ((mol1->atoms[count1].point.x == mol2->atoms[count2].point.x) && (mol1->atoms[count1].point.y == mol2->atoms[count2].point.y) && (mol1->atoms[count1].point.z == mol2->atoms[count2].point.z)) { strcpy(mol1->atoms[count1].type,mol2->atoms[count2].type); replaced = TRUE; break; } } if (replaced == FALSE) sprintf(wstr,"Could not replace type for atom %d",count1); show_warning(wstr); } return(TRUE); }