Fix intermittent Test_Powders results (header parsing) and other undefined behaviour

common/lib/share/mccode-r.c

@@ -4149,9 +4149,8 @@ mcstatic void norm_func(double *x, double *y, double *z) {
 #ifdef FUNNEL
 long sort_absorb_last(_class_particle* particles, _class_particle* pbuffer, long len, long buffer_len, long flag_split, long* multiplier) {
   #define SAL_THREADS 1024 // num parallel sections
-  if (len<SAL_THREADS) return sort_absorb_last_serial(particles, len);
-
   if (multiplier != NULL) *multiplier = -1; // set default out value for multiplier
+  if (len<SAL_THREADS) return sort_absorb_last_serial(particles, len);
   long newlen = 0;
   long los[SAL_THREADS]; // target array startidxs
   long lens[SAL_THREADS]; // target array sublens
@@ -4219,8 +4218,8 @@ long sort_absorb_last(_class_particle* particles, _class_particle* pbuffer, long
   }
   //for (int ii=0;ii<accumlen;ii++) printf("%ld ", (psorted[ii]->_absorbed));
 
-  // return (no SPLIT)
-  if (flag_split != 1)
+  // return (no SPLIT, or nothing left to split)
+  if (flag_split != 1 || accumlen == 0)
     return accumlen;
 
   // SPLIT - repeat the non-absorbed block N-1 times, where len % accumlen = N + R

common/lib/share/read_table-lib.c

@@ -1323,6 +1323,29 @@ MCDETECTOR Table_Write(t_Table Table, char *file, char *xl, char *yl,
 #define MyNL_ARGMAX 50
 #endif
 
+static int Table_ParseHeader_wordchar(char c) {
+  return (c >= 'a' && c <= 'z') || (c >= 'A' && c <= 'Z') || (c >= '0' && c <= '9') || c == '_';
+}
+
+/* Find symbol in header as a whole word (like regex \b...\b), not case
+   sensitive. Word boundaries are only required where the symbol itself starts
+   or ends with a word character, so "sigma_a " or "e_min=" match as given.
+   E.g. "Vc" must not match inside a file name such as /tmp/tmp.0.aVcX9q,
+   which cif2hkl writes into the header before the real "Vc" line. */
+static char *Table_ParseHeader_find(char *header, char *symbol) {
+  size_t len = strlen(symbol);
+  char *pos = header;
+  while ((pos = (char*)strcasestr(pos, symbol))) {
+    int start_ok = !Table_ParseHeader_wordchar(symbol[0])
+                || pos == header || !Table_ParseHeader_wordchar(pos[-1]);
+    int end_ok   = !Table_ParseHeader_wordchar(symbol[len-1])
+                || !Table_ParseHeader_wordchar(pos[len]);
+    if (start_ok && end_ok) return pos;
+    pos++;
+  }
+  return NULL;
+}
+
 char **Table_ParseHeader_backend(char *header, ...){
   va_list ap;
   char exit_flag=0;
@@ -1350,7 +1373,7 @@ char **Table_ParseHeader_backend(char *header, ...){
       exit_flag = 1; break;
     }
     /* search for the symbol in the header */
-    pos = (char*)strcasestr(header, arg_char);
+    pos = Table_ParseHeader_find(header, arg_char);
     if (pos) {
       char *eol_pos;
       eol_pos = strchr(pos+strlen(arg_char), '\n');

mcstas-comps/optics/Pol_guide_vmirror.comp

@@ -164,16 +164,19 @@ INITIALIZE
     }
 
     n_index = sizeof (rPar) / sizeof (rPar[0]);
+    if (n_index > 6) n_index = 6; // r..ParToFunc holds at most 6 values
     for (i_index = 0; i_index < n_index; i_index++) {
       rParToFunc[i_index] = rPar[i_index];
     }
 
     n_index = sizeof (rUpPar) / sizeof (rUpPar[0]);
+    if (n_index > 6) n_index = 6; // r..ParToFunc holds at most 6 values
     for (i_index = 0; i_index < n_index; i_index++) {
       rUpParToFunc[i_index] = rUpPar[i_index];
     }
 
     n_index = sizeof (rDownPar) / sizeof (rDownPar[0]);
+    if (n_index > 6) n_index = 6; // r..ParToFunc holds at most 6 values
     for (i_index = 0; i_index < n_index; i_index++) {
       rDownParToFunc[i_index] = rDownPar[i_index];
     }

mcstas-comps/samples/Isotropic_Sqw.comp

@@ -525,7 +525,7 @@ SHARE
       printf ("Isotropic_sqw: Converting %ld %s from %s into S(q,w) data\n", size, flag_qSq ? "S(q)" : "powder lines", sqwTable.filename);
     });
     /* allocate line_data array */
-    list = (struct line_data*)malloc (size * sizeof (struct line_data));
+    list = (struct line_data*)calloc (size, sizeof (struct line_data)); // zeroed: the multiplicity check may look one entry ahead
 
     for (i = 0; i < size; i++) {
       double j = 0, d = 0, w = 0, DWfactor = 0, F2 = 0, Sq = -1, q = 0;

mcstas-comps/samples/PowderN.comp

@@ -648,7 +648,7 @@ SHARE
                             info->compname););
     }
     /* allocate line_data array */
-    list = (struct line_data*)malloc (size * sizeof (struct line_data));
+    list = (struct line_data*)calloc (size, sizeof (struct line_data)); // zeroed: the multiplicity check may look one entry ahead
     if (!list) {
       exit (fprintf (stderr, "PowderN: %s: Error: Could not allocate line array\n", info->compname));
     }

mcstas-comps/union/Powder_process.comp

@@ -260,7 +260,7 @@ SHARE
                             "WARNING: but F2 unit is set to barns=0 (fm^2). Intensity might be 100 times too low.\n",
                             info->compname););
     /* allocate line_data array */
-    list = (struct line_data_union*)malloc (size * sizeof (struct line_data_union));
+    list = (struct line_data_union*)calloc (size, sizeof (struct line_data_union)); // zeroed: the multiplicity check may look one entry ahead
     if (!list)
       exit (fprintf (stderr, "Powder_process: ERROR allocating memory (read_line_data_union)\n"));
 

mcxtrace-comps/samples/Isotropic_Sqw.comp

@@ -475,7 +475,7 @@ SHARE
       printf ("Isotropic_Sqw: Converting %ld %s from %s into S(q,w) data\n", size, flag_qSq ? "S(q)" : "powder lines", sqwTable.filename);
     });
     /* allocate line_data array */
-    list = (struct line_data*)malloc (size * sizeof (struct line_data));
+    list = (struct line_data*)calloc (size, sizeof (struct line_data)); // zeroed: the multiplicity check may look one entry ahead
 
     for (i = 0; i < size; i++) {
       double j = 0, d = 0, w = 0, DWfactor = 0, F2 = 0, Sq = -1, q = 0;

mcxtrace-comps/samples/PowderN.comp

@@ -469,7 +469,7 @@ SHARE
                             info->compname););
     }
     /* allocate line_data array */
-    list = (struct line_data*)malloc (size * sizeof (struct line_data));
+    list = (struct line_data*)calloc (size, sizeof (struct line_data)); // zeroed: the multiplicity check may look one entry ahead
 
     for (i = 0; i < size; i++) {
       /*      printf("Reading in line %i\n",i);*/

mcxtrace-comps/share/reflectivity-lib.c

@@ -182,7 +182,7 @@ int reflec_Init_File(t_Reflec *R, char *filename){
           } else {
             stracpy(R->rc.matrl,header_parsed[0],255);
             R->rc.T = table;
-            R->rc.d = strtod(header_parsed[4], NULL);
+            R->rc.d = header_parsed[4] ? strtod(header_parsed[4], NULL) : 0; /* d is optional */
             R->rc.rho=strtod(header_parsed[3],NULL);
             R->rc.Z=strtod(header_parsed[1],NULL);
             R->rc.At=strtod(header_parsed[2],NULL);
@@ -221,16 +221,16 @@ int reflec_Init_File(t_Reflec *R, char *filename){
       case KINEMATIC:
         {
           char **header_parsed = Table_ParseHeader(table->header, "#N=", "#gamma=", "#lambda=", "#rho_ab=", NULL);
-          if (! (header_parsed[0] && header_parsed[1] && header_parsed[2] && header_parsed[3] && header_parsed[4])){
+          if (! (header_parsed[0] && header_parsed[1] && header_parsed[2] && header_parsed[3])){
             fprintf(stderr,"Error: %s: Could not parse file \"%s\".\n",
                     REFLIBNAME,filename);
             exit(-1);
           }
 
           R->rk.N = strtol(header_parsed[0], NULL, 10);
-          R->rk.Gamma = strtod(header_parsed[2], NULL);
-          R->rk.Lambda = strtod(header_parsed[3], NULL);
-          R->rk.rho_AB = strtod(header_parsed[4], NULL);
+          R->rk.Gamma = strtod(header_parsed[1], NULL);
+          R->rk.Lambda = strtod(header_parsed[2], NULL);
+          R->rk.rho_AB = strtod(header_parsed[3], NULL);
           break;
         }
 
@@ -291,7 +291,7 @@ enum reflec_Type get_table_reflec_type(t_Table *t){
     if(!type){
       /*type of reflectivity file is not specified - try to guess instead*/
       header_parsed = Table_ParseHeader(t->header,"Z",NULL);
-      long Z = strtol(header_parsed[0],NULL,0);
+      long Z = header_parsed[0] ? strtol(header_parsed[0],NULL,0) : 0;
       if(Z >0 && Z<116){
         /*this appears to be a coating file similar to Pt.txt and Be.txt (in the mcxtrace data library*/
         printf("INFO: %s: Datafile type not explicit in reflectivity file %s.\n"