Add exit codes to the Python API

python/src/process_header.py

@@ -11,11 +11,16 @@ func_name = ''
 arrays = {}
 numbers = {}
 qmckl_public_api = []
-
+qmckl_errors = []
 
 with open("qmckl.h", 'r') as f_in:
     for line in f_in:
         
+        # get the errors but without the type cast because SWIG does not recognize it
+        if '#define' in line and 'qmckl_exit_code' in line:
+            qmckl_errors.append(line.strip().replace('(qmckl_exit_code)',''))
+            continue
+
         if get_name:
             words = line.strip().split()
             if '(' in words[0]:
@@ -142,6 +147,11 @@ processed = list(arrays.keys()) + list(numbers.keys())
 
 with open("pyqmckl_include.i", 'w') as f_out:
 
+    # write the list of errors as constants without the type cast
+    for e in qmckl_errors:
+        line = e.replace('#define', '%constant qmckl_exit_code').replace('(','=').replace(')',';')
+        f_out.write(line + '\n')
+
     swig_type = ''
     for v in numbers.values():
         

python/src/pyqmckl.i

@@ -52,7 +52,7 @@ if sizeof(result) == sizeof(qmckl_exit_code), e.g. for functions that return non
 */
 %exception {
   $action
-  if (result != 0 && sizeof(result) == sizeof(qmckl_exit_code)) {
+  if (result != QMCKL_SUCCESS && sizeof(result) == sizeof(qmckl_exit_code)) {
     SWIG_exception_fail(SWIG_RuntimeError, qmckl_string_of_error(result));
   }
 }

python/test/test_api.py

@@ -21,30 +21,30 @@ ctx = pq.qmckl_context_create()
 fname = join('data', 'Alz_small.h5')
 
 rc = pq.qmckl_trexio_read(ctx, fname)
-assert rc==0
+assert rc==pq.QMCKL_SUCCESS
 print(pq.qmckl_string_of_error(rc))
 
 rc = pq.qmckl_set_electron_walk_num(ctx, walk_num)
-assert rc==0
+assert rc==pq.QMCKL_SUCCESS
 
 rc, mo_num = pq.qmckl_get_mo_basis_mo_num(ctx)
-assert rc==0
+assert rc==pq.QMCKL_SUCCESS
 
 rc = pq.qmckl_set_electron_coord(ctx, 'T', coord)
-assert rc==0
+assert rc==pq.QMCKL_SUCCESS
 
 size_max = 5*walk_num*elec_num*mo_num
 
 
 
 rc, mo_vgl = pq.qmckl_get_mo_basis_mo_vgl(ctx, size_max)
-assert rc==0
+assert rc==pq.QMCKL_SUCCESS
 
 start = time.clock_gettime_ns(time.CLOCK_REALTIME)
 
 for _ in range(ITERMAX):
     rc, mo_vgl_in = pq.qmckl_get_mo_basis_mo_vgl_inplace(ctx, size_max)
-    assert rc==0
+    assert rc==pq.QMCKL_SUCCESS
 
 end = time.clock_gettime_ns(time.CLOCK_REALTIME)