WebSVN – wimsdev – Diff – /trunk/wims/src/Misc/checkmol/checkmolc.c

      char *trimstr;
+{
   char numstr[256];
   char auxstr[256];
   int auxint = 0;
- /* int code;*/
   char STR1[256];
   strcpy (numstr, "-+0123456789");
   *auxstr = '\0';
   while (*trimstr != '\0' && (trimstr[0] == ' ' || trimstr[0] == TAB))
          (strpos2 (numstr, (sprintf (STR1, "%c", trimstr[0]), STR1), 1) > 0))
+    {
       sprintf (auxstr + strlen (auxstr), "%c", trimstr[0]);
       strdelete (trimstr, 1, 1);
+    }
- /* code = (sscanf (auxstr, "%d", &auxint) == 0);*/
   return auxint;
+}
 static int
 path_pos (int id, int *a_path)
 static void
 read_molfile (mfilename)
      char *mfilename;
+{
   /* reads ALCHEMY mol files */
-  int n, code;
+  int n;
   char rline[256], tmpstr[256];
   char xstr[256], ystr[256], zstr[256], chgstr[256];
   float xval, yval, zval, chgval;
   char a1str[256], a2str[256], elemstr[256];
   int a1val, a2val, ri;
   if (n_atoms > 0)
     zap_molecule ();
   ri = li;
   strcpy (rline, molbuf[ri - 1]);
   sprintf (tmpstr, "%.5s", rline);
-  code = (sscanf (tmpstr, "%d", &n_atoms) == 0);
+  (void)sscanf (tmpstr, "%d", &n_atoms);
   strsub (tmpstr, rline, 14, 5);
-  code = (sscanf (tmpstr, "%d", &n_bonds) == 0);
+  (void)sscanf (tmpstr, "%d", &n_bonds);
   strsub (molname, rline, 42, (int) (strlen (rline) - 42L));
   /* try */
   atom = safe_calloc (n_atoms, sizeof (atom_rec));
   bond = safe_calloc (n_bonds, sizeof (bond_rec));
   ring = safe_calloc (1, sizeof (ringlist));
       convert_type (newatomtype, atomtype);
       strsub (xstr, rline, 14, 7);
       strsub (ystr, rline, 23, 7);
       strsub (zstr, rline, 32, 7);
       strsub (chgstr, rline, 43, 7);
-      code = (sscanf (xstr, "%g", &xval) == 0);
+      (void)sscanf (xstr, "%g", &xval);
-      code = (sscanf (ystr, "%g", &yval) == 0);
+      (void)sscanf (ystr, "%g", &yval);
-      code = (sscanf (zstr, "%g", &zval) == 0);
+      (void)sscanf (zstr, "%g", &zval);
-      code = (sscanf (chgstr, "%g", &chgval) == 0);
+      (void)sscanf (chgstr, "%g", &chgval);
       WITH = &atom[n - 1];
       strcpy (WITH->element, elemstr);
       strcpy (WITH->atype, newatomtype);
       WITH->x = xval;
       WITH->y = yval;
       WITH->z = zval;
       WITH->real_charge = chgval;
       if (is_heavyatom (n))
         {
           n_heavyatoms++;
           WITH->heavy = true;
           if (is_metal (n))
             WITH->metal = true;
         }
       WITH->nvalences = get_nvalences (WITH->element);  /* v0.3m   */
     }
   /*
      with atom^[n] do
      begin
      x := 0; y := 0; z := 0;  (* v0.3g
      formal_charge  := 0;
+    {
       ri++;
       strcpy (rline, molbuf[ri - 1]);
       strsub (a1str, rline, 9, 3);
       strsub (a2str, rline, 15, 3);
-      code = (sscanf (a1str, "%d", &a1val) == 0);
+      (void)sscanf(a1str, "%d", &a1val);
-      /* if code <> 0 then beep; */
-      code = (sscanf (a2str, "%d", &a2val) == 0);
+      (void)sscanf(a2str, "%d", &a2val);
-      /* if code <> 0 then beep; */
       WITH1 = &bond[n];
       WITH1->a1 = a1val;
       WITH1->a2 = a2val;
       WITH1->btype = rline[19];
       WITH1->ring_count = 0;
   if (n_atoms > 0)
     zap_molecule ();
   *rline = '\0';
   ri = li - 1;
   while ((ri < molbufindex) && (strpos2 (rline, "@<TRIPOS>MOLECULE", 1) == 0))
     {
       ri++;
       strcpy (rline, molbuf[ri - 1]);
+    }
   if (ri < molbufindex)
+    {
       ri++;
       strcpy (molname, molbuf[ri - 1]);
+    {
       ri++;
       strcpy (rline, molbuf[ri - 1]);
+    }
   sprintf (tmpstr, "%.5s", rline);
-  sscanf (tmpstr, "%d", &n_atoms);
+  (void)sscanf (tmpstr, "%d", &n_atoms);
 /* p2c: checkmol.pas: Note: Eliminated unused assignment statement [338] */
   strsub (tmpstr, rline, 7, 5);
-  sscanf (tmpstr, "%d", &n_bonds);
+  (void)sscanf (tmpstr, "%d", &n_bonds);
   /* try */
 /* p2c: checkmol.pas: Note: Eliminated unused assignment statement [338] */
   atom = safe_calloc (n_atoms, sizeof (atom_rec));
   bond = safe_calloc (n_bonds, sizeof (bond_rec));
   ring = safe_calloc (1, sizeof (ringlist));
       convert_sybtype (newatomtype, sybatomtype);
       strsub (xstr, rline, 18, 9);
       strsub (ystr, rline, 28, 9);
       strsub (zstr, rline, 38, 9);
       strsub (chgstr, rline, 70, 9);
-/* p2c: checkmol.pas: Note: Eliminated unused assignment statement [338] */
-/* p2c: checkmol.pas: Note: Eliminated unused assignment statement [338] */
-      sscanf (xstr, "%g", &xval);
+      (void)sscanf (xstr, "%g", &xval);
-      sscanf (ystr, "%g", &yval);
+      (void)sscanf (ystr, "%g", &yval);
-      sscanf (zstr, "%g", &zval);
+      (void)sscanf (zstr, "%g", &zval);
-      sscanf (chgstr, "%g", &chgval);
+      (void)sscanf (chgstr, "%g", &chgval);
-/* p2c: checkmol.pas: Note: Eliminated unused assignment statement [338] */
-/* p2c: checkmol.pas: Note: Eliminated unused assignment statement [338] */
       WITH = &atom[n - 1];
       strcpy (WITH->element, elemstr);
       strcpy (WITH->atype, newatomtype);
       WITH->x = xval;
       WITH->y = yval;
       WITH->z = zval;
       WITH->real_charge = chgval;
       if (is_heavyatom (n))
         {
           n_heavyatoms++;
           WITH->heavy = true;
           if (is_metal (n))
             WITH->metal = true;
+        }
           strcpy (rline, molbuf[ri - 1]);
+        }
       strsub (a1str, rline, 9, 3);
       strsub (a2str, rline, 14, 3);
       code = (sscanf (a1str, "%d", &a1val) == 0);
       if (code != 0)
         printf ("%s\007\n", rline);
       code = (sscanf (a2str, "%d", &a2val) == 0);
       if (code != 0)
         printf ("%s\007\n", rline);
       WITH1 = &bond[n];
       ringprop[n].size = 0;
       ringprop[n].arom = false;
       ringprop[n].envelope = false;
+    }
   li = ri + 1;
 }
 static void
 read_charges (chgstring_)
      char *chgstring_;
   strcpy (molcomment, rline);
   if (ri < molbufindex)         /* line 4 */
     ri++;
   strcpy (rline, molbuf[ri - 1]);
   sprintf (tmpstr, "%.3s", rline);
-  sscanf (tmpstr, "%d", &n_atoms);
+  (void)sscanf (tmpstr, "%d", &n_atoms);
-/* p2c: checkmol.pas: Note: Eliminated unused assignment statement [338] */
   strsub (tmpstr, rline, 4, 3);
-  sscanf (tmpstr, "%d", &n_bonds);
+  (void)sscanf (tmpstr, "%d", &n_bonds);
-/* p2c: checkmol.pas: Note: Eliminated unused assignment statement [338] */
   strsub (tmpstr, rline, 10, 3);
   /* if it is a CheckMol-tweaked molfile, this is the number of rings */
   n_cmrings = 0;
   code = (sscanf (tmpstr, "%d", &n_cmrings) == 0);
   if (code != 0)
           strsub (xstr, rline, 1, 10);  /* fixed in v0.3k (was: 2,9 etc.) */
           strsub (ystr, rline, 11, 10);
           strsub (zstr, rline, 21, 10);
           /*chgstr := '0'; */
           strsub (chgstr, rline, 37, 3);        /* new in v0.3j */
-          sscanf (chgstr, "%f", &chgval);
+          (void)sscanf (chgstr, "%f", &chgval);
-/* p2c: checkmol.pas: Note: Eliminated unused assignment statement [338] */
           if (chgval != 0)
+            {
               if (chgval >= 1 && chgval <= 7)
                 chgval = 4.0 - chgval;
               else
+                {
                   chgval = 0.0;
-/* p2c: checkmol.pas: Note: Eliminated unused assignment statement [338] */
+                }
             }                   /* end (v0.3j) */
-          sscanf (xstr, "%f", &xval);
+          (void)sscanf (xstr, "%f", &xval);
-          sscanf (ystr, "%f", &yval);
+          (void)sscanf (ystr, "%f", &yval);
-          sscanf (zstr, "%f", &zval);
+          (void)sscanf (zstr, "%f", &zval);
           /* v0.3k: removed superfluous val(chgstr,chgval,code) */
-/* p2c: checkmol.pas: Note: Eliminated unused assignment statement [338] */
-/* p2c: checkmol.pas: Note: Eliminated unused assignment statement [338] */
           WITH = &atom[v - 1];
           strcpy (WITH->element, elemstr);
           if (!strcmp (elemstr, "A ") || !strcmp (elemstr, "Q ") ||
               !strcmp (elemstr, "X "))
             /* 'X ' added in v0.3n */
             WITH1->stereo = bstereo_either;     /* 0.3x */
           if (WITH1->btype == 'D' && strlen (rline) > 11 && rline[11] == '3')
             WITH1->stereo = bstereo_double_either;      /* 0.3x */
           strsub (tmpstr, rline, 10, 3);
           /* new in v0.3n: save original bond stereo specification; */
-          sscanf (tmpstr, "%d", &bs);
+          (void)sscanf (tmpstr, "%d", &bs);
           /* v0.3n */
 /* p2c: checkmol.pas: Note: Eliminated unused assignment statement [338] */
           WITH1->mdl_stereo = bs;       /* v0.3n */
           if (atom[a1val - 1].heavy && atom[a2val - 1].heavy)
             n_heavybonds++;

Subversion Repositories wimsdev

(root)/trunk/wims/src/Misc/checkmol/checkmolc.c – Rev 6786 → 6787