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#include "utility.h"
#include "newgeo.h"

void filter_atom_type(atom_symbol)
/*============================================================================*/
/* FILENAME: FILTER_ATOM_TYPE.C (FILTER_ATOM_TYPE.O)
/* PURPOSE: TO REMOVE ALL ATOMS IN THE CURRENT GEOMETRY OF THE SPECIFIED TYPE.
/* WRITTEN: M.V.GRIESHABER
/* LAST MODIFICATION: 11 JUNE 1991 MVG
*/
   char atom_symbol[];
   {
   int i;
   int j;
   int k;
   int l;

   /* RUN THROUGH ALL THE ATOMS LOOKING FOR THE TYPE TO FILTER OUT. */
   for (i=0; ii)
                  {
                  /*DEBUGprintf("      decrementing bond: atom#%d (%s), bond #%d.\n",j,intco[j].atom_name,k);/**/
                  /* YES, DECREMENT THE BOND POINTER TO CORRECT. */
                  intco[j].bonds[k]--;
                  }
               }
            }
         i--;	/* REEXAMINE THIS SLOT; NOW OCCUPIED BY NEW (SHIFTED) ATOM. */
         }
      }

   return;
   }

Modified: Fri Feb 11 17:00:00 1994 GMT
Page accessed 4756 times since Sat Apr 17 21:58:47 1999 GMT