#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;
}
|