Changeset 425444 for pcp/src/ions.c

Timestamp:

Aug 6, 2008, 8:35:50 AM (17 years ago)

Author:

Frederik Heber <heber@…>

Children:

e6372f

Parents:

7670cab

Message:

ParseIonForce(): Now also deals with force files containing only up to Total Forces fields

File:

• pcp/src/ions.c (modified) (4 diffs)

pcp/src/ions.c

@@ -652 +652 @@
   double i1, j1;
   double R[NDIM];
+  char *ptr = NULL;
   
   if (P->Call.ForcesFile == NULL) return;
@@ -658 +659 @@
         if (finput == NULL)
                 Error(InitReading, "ForcesFile does not exist.");
-        fscanf(finput, "%s\t%s\t%s\t%s\t%s\t%s\t%s\t%s\t%s\t%s\t%s\t%s\t%s\t%s\t%s\t%s\t%s\t%s\t%s\t%s\n", line,line,line,line,line,line,line,line,line,line,line,line,line,line,line,line,line,line,line,line);        // skip header line
+  fgets(line, 1024, finput);  // skip header line
   for (i=0; i < I->Max_Types; i++) 
     for (j=0; j < I->I[i].Max_IonsOfType; j++)
@@ -664 +665 @@
                                 Error(InitReading, "ForcesFile does not contain enough lines.");
                         } else {
-                                //fscanf(finput, "%s\n", line);
-                                //if (strlen(line) < 100) {
-                                        //fprintf(stderr, "i %d, j %d, length of line %ld, line %s.\n", i,j, strlen(line), line);
-                                        //Error(InitReading, "ForcesFile does not contain enough lines or line is faulty.");
-                                //} else
+                          fgets(line, 1024, finput);
+                                ptr = line;
+                                i1 = 1.;
+                                while ((ptr = strchr(ptr, '\t')) != NULL) { // count number of tabs in line
+                                  if (*ptr == '\t') ptr++;
+                                  i1++;
+                                  //fprintf(stderr,"%i tabs\n", (int)i1);
+                                }
+                                if (i1 < 8) {
+                                        fprintf(stderr, "i %d, j %d, fields in %i, line %s.\n", i,j, (int)i1, line);
+                                        Error(InitReading, "ForcesFile does not contain enough lines or line is faulty.");
+                                } else {
                                         //fprintf(stderr, "Parsed line: '%s'\n", line);
-                fscanf(finput, "%le\t%le\t%le\t%le\t%le\t%le\t%le\t%le\t%le\t%le\t%le\t%le\t%le\t%le\t%le\t%le\t%le\t%le\t%le\t%le\n", &i1,&j1, 
+                sscanf(line, "%le\t%le\t%le\t%le\t%le\t%le\t%le\t%le\t%le\t%le\t%le\t%le\t%le\t%le\t%le\t%le\t%le\t%le\t%le\t%le\n", &i1,&j1, 
                       &R[0], &R[1], &R[2],
                       &I->I[i].FIon[0+j*NDIM], &I->I[i].FIon[1+j*NDIM], &I->I[i].FIon[2+j*NDIM],
@@ -677 +685 @@
                 &I->I[i].FMagnetic[0+j*NDIM], &I->I[i].FMagnetic[1+j*NDIM], &I->I[i].FMagnetic[2+j*NDIM],
                       &I->I[i].FEwald[0+j*NDIM], &I->I[i].FEwald[1+j*NDIM], &I->I[i].FEwald[2+j*NDIM]);
-                                if ((i != (int)i1) || (j != (int)j1))
+                                }
+                                if ((i != (int)i1) || (j != (int)j1)) {
+                                  fprintf(stderr, "(%i) expecting ion (%i, %i), parsed ion (%le, %le)!\n", P->Par.me, i, j, i1, j1);
                                         Error(InitReading, "Line does not match to desired ion.");
+                                }
                 }
         fclose(finput);