Merge pull request #2273 from willend/main

Platform-independent reflection list sort in Single_crystal

Author: willend

mcstas-comps/samples/Single_crystal.comp

@@ -379,12 +379,30 @@ struct hkl_data
   {
      struct hkl_data const *pa = a;
      struct hkl_data const *pb = b;
-     double s = pa->tau - pb->tau;
 
-     if (!s) return 0;
-     else    return (s < 0 ? -1 : 1);
-  } /* PN_list_compare */
-  
+    /* Sort by tau */
+    if (pa->tau < pb->tau) return -1;
+    if (pa->tau > pb->tau) return 1;
+
+    /* Sort by tau_x */
+    if (pa->tau_x < pb->tau_x) return -1;
+    if (pa->tau_x > pb->tau_x) return 1;
+
+    /* Sort by tau_y */
+    if (pa->tau_y < pb->tau_y) return -1;
+    if (pa->tau_y > pb->tau_y) return 1;
+
+    /* Sort by tau_z */
+    if (pa->tau_z < pb->tau_z) return -1;
+    if (pa->tau_z > pb->tau_z) return 1;
+
+    /* In case of tie, sort by F2 also */
+    if (pa->F2 < pb->F2) return -1;
+    if (pa->F2 > pb->F2) return 1;
+
+
+    return 0;
+  } /* SX_list_compare */
 
 #ifndef CIF2HKL
 #define CIF2HKL

mcstas-comps/union/Single_crystal_process.comp

@@ -167,11 +167,30 @@ SHARE
   {
      struct hkl_data_union const *pa = a;
      struct hkl_data_union const *pb = b;
-     double s = pa->tau - pb->tau;
-     
-     if (!s) return 0;
-     else    return (s < 0 ? -1 : 1);
-  } /* PN_list_compare */
+
+    /* Sort by tau */
+    if (pa->tau < pb->tau) return -1;
+    if (pa->tau > pb->tau) return 1;
+
+    /* Sort by tau_x */
+    if (pa->tau_x < pb->tau_x) return -1;
+    if (pa->tau_x > pb->tau_x) return 1;
+
+    /* Sort by tau_y */
+    if (pa->tau_y < pb->tau_y) return -1;
+    if (pa->tau_y > pb->tau_y) return 1;
+
+    /* Sort by tau_z */
+    if (pa->tau_z < pb->tau_z) return -1;
+    if (pa->tau_z > pb->tau_z) return 1;
+
+    /* In case of tie, sort by F2 also */
+    if (pa->F2 < pb->F2) return -1;
+    if (pa->F2 > pb->F2) return 1;
+
+
+    return 0;
+  } /* SX_list_compare */
 
   /* ------------------------------------------------------------------------ */
   int

mcxtrace-comps/samples/Single_crystal.comp

@@ -396,10 +396,29 @@ SHARE
   {
      struct hkl_data const *pa = a;
      struct hkl_data const *pb = b;
-     double s = pa->tau - pb->tau;
 
-     if (!s) return 0;
-     else    return (s < 0 ? -1 : 1);
+    /* Sort by tau */
+    if (pa->tau < pb->tau) return -1;
+    if (pa->tau > pb->tau) return 1;
+
+    /* Sort by tau_x */
+    if (pa->tau_x < pb->tau_x) return -1;
+    if (pa->tau_x > pb->tau_x) return 1;
+
+    /* Sort by tau_y */
+    if (pa->tau_y < pb->tau_y) return -1;
+    if (pa->tau_y > pb->tau_y) return 1;
+
+    /* Sort by tau_z */
+    if (pa->tau_z < pb->tau_z) return -1;
+    if (pa->tau_z > pb->tau_z) return 1;
+
+    /* In case of tie, sort by F2 also */
+    if (pa->F2 < pb->F2) return -1;
+    if (pa->F2 > pb->F2) return 1;
+
+
+    return 0;
   } /* SX_list_compare */
 
 #ifndef CIF2HKL