refactor out sort functions

src/base/base_inc.c

@@ -2,3 +2,4 @@
 #include "base_memory.c"
 #include "base_strings.c"
 #include "base_thread_context.c"
+#include "base_sort.c"

src/base/base_inc.h

@@ -7,5 +7,6 @@
 #include "base_memory.h"
 #include "base_strings.h"
 #include "base_thread_context.h"
+#include "base_sort.h"
 
 #endif //BASE_H

src/base/base_sort.c

@@ -0,0 +1,60 @@
+
+U64 qsort_partition_F64(SortPair_F64 *array, U64 size, U64 low, U64 high) {
+  F64 pivot = array[high].value;
+  U64 i = low - 1;
+
+  SortPair_F64 temp = {0};
+  for (U64 j = low; j < high; j++) {
+    if (array[j].value <= pivot) {
+      i += 1;
+      temp = array[i];
+      array[i] = array[j];
+      array[j] = temp;
+    }
+  }
+
+  U64 final_pivot_pos = i + 1;
+  temp = array[final_pivot_pos];
+  array[final_pivot_pos] = array[high];
+  array[high] = temp;
+
+  return final_pivot_pos;
+}
+
+function void qsort_F64(SortPair_F64 *array, U64 size, U64 low, U64 high) {
+  if (low < high) {
+    U64 pivot_index = qsort_partition_F64(array, size, low, high);
+    qsort_F64(array, size, low, pivot_index - 1);
+    qsort_F64(array, size, pivot_index + 1, high);
+  }
+}
+
+function void sort_and_get_indices_F64(F64 *array, U64 *indices, U64 size) {
+  SortPair_F64 *pairs = malloc(size * sizeof(SortPair_F64));
+  for (U64 i = 0; i < size; i++) {
+    pairs[i].value = array[i];
+    pairs[i].original_index = i;
+  }
+
+  qsort_F64(pairs, size, 0, size - 1);
+
+  for (U32 i = 0; i < size; i++) {
+    array[i] = pairs[i].value;
+    indices[i] = pairs[i].original_index;
+  }
+
+  free(pairs);
+}
+
+function void sort_by_indices_F64(F64 *array, U64 *indices, U64 size) {
+
+  F64 *temp = malloc(size * sizeof(F64));
+  for (U64 i = 0; i < size; i++) {
+    U64 original_index = indices[i];
+    temp[i] = array[original_index];
+  }
+  for (U64 i = 0; i < size; i++) {
+    array[i] = temp[i];
+  }
+  free(temp);
+}

src/base/base_sort.h

@@ -0,0 +1,15 @@
+#ifndef BASE_SORT_H
+#define BASE_SORT_H
+
+typedef struct SortPair_F64 SortPair_F64;
+struct SortPair_F64 {
+  F64 value;
+  U64 original_index;
+};
+
+function U64 qsort_partition_F64(SortPair_F64 *array, U64 size, U64 low, U64 high);
+function void qsort_F64(SortPair_F64 *array, U64 size, U64 low, U64 high);
+function void sort_and_get_indices_F64(F64 *array, U64 *indices, U64 size);
+function void sort_by_indices_F64(F64 *array, U64 *indices, U64 size);
+
+#endif //BASE_SORT_H

src/main.c

@@ -1,4 +1,4 @@
-// ---
+//----
 // Header includes
 #include "base/base_inc.h"
 #include "os/os_inc.h"
@@ -7,7 +7,7 @@
 #include "hf/file_io.h"
 #include "hf/hf_base.h"
 
-// ---
+//----
 // .C includes
 #include "base/base_inc.c"
 #include "os/os_entry_point.c"
@@ -20,6 +20,9 @@
 // TODO make this a separate module that can be compiled instead
 // #include "hf/tests.c"
 
+//////
+//~ 
+
 typedef struct Eigensolution_F64 Eigensolution_F64;
 struct Eigensolution_F64 {
   F64 *eigenvalues_re;
@@ -42,77 +45,14 @@ struct Atom {
   Orbital *orbitals;
 };
 
-typedef struct SortPair_F64 SortPair_F64;
-struct SortPair_F64 {
-  F64 value;
-  U64 original_index;
-};
-
 global Arena *g_base_arena = 0;
 global Arena *g_filename_arena = 0;
 #define NUM_ANGULAR_MOMENTA 3
 global F64 angular_momenta[NUM_ANGULAR_MOMENTA] = {0.0, 1.0, 2.0};
 global F64 *temp_wavefunction_F64;
 
-U64 qsort_partition_F64(SortPair_F64 *array, U64 size, U64 low, U64 high) {
+//////
-  F64 pivot = array[high].value;
+//~
-  U64 i = low - 1;
-
-  SortPair_F64 temp = {0};
-  for (U64 j = low; j < high; j++) {
-    if (array[j].value <= pivot) {
-      i += 1;
-      temp = array[i];
-      array[i] = array[j];
-      array[j] = temp;
-    }
-  }
-
-  U64 final_pivot_pos = i + 1;
-  temp = array[final_pivot_pos];
-  array[final_pivot_pos] = array[high];
-  array[high] = temp;
-
-  return final_pivot_pos;
-}
-
-function void qsort_F64(SortPair_F64 *array, U64 size, U64 low, U64 high) {
-  if (low < high) {
-    U64 pivot_index = qsort_partition_F64(array, size, low, high);
-    qsort_F64(array, size, low, pivot_index - 1);
-    qsort_F64(array, size, pivot_index + 1, high);
-  }
-}
-
-function void sort_and_get_indices_F64(F64 *array, U64 *indices, U64 size) {
-  SortPair_F64 *pairs = malloc(size * sizeof(SortPair_F64));
-  for (U64 i = 0; i < size; i++) {
-    pairs[i].value = array[i];
-    pairs[i].original_index = i;
-  }
-
-  qsort_F64(pairs, size, 0, size - 1);
-
-  for (U32 i = 0; i < size; i++) {
-    array[i] = pairs[i].value;
-    indices[i] = pairs[i].original_index;
-  }
-
-  free(pairs);
-}
-
-function void sort_by_indices_F64(F64 *array, U64 *indices, U64 size) {
-
-  F64 *temp = malloc(size * sizeof(F64));
-  for (U64 i = 0; i < size; i++) {
-    U64 original_index = indices[i];
-    temp[i] = array[original_index];
-  }
-  for (U64 i = 0; i < size; i++) {
-    array[i] = temp[i];
-  }
-  free(temp);
-}
 
 /* Auxiliary routine: printing a matrix */
 function void print_eigenvalues(char *desc, int n, F64 *wr, F64 *wi) {
@@ -267,6 +207,9 @@ function void compute_wf_norm_F64(F64 *coeffs, U64 coeff_size, U64 n, U64 l) {
   scratch_release(scratch);
 }
 
+/////////////////
+//~
+// Main entry point
 function void EntryPoint(void) {
 
   OS_InitReceipt os_receipt = OS_init();