Merge pull request #884 from edoapra/flaccid-fraction

python 3 fixes
nwchemgit · Oct 10, 2023 · 7b06d34 · 7b06d34
2 parents dd76c40 + 48fac05
commit 7b06d34
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Showing 2 changed files with 14 additions and 7 deletions.
diff --git a/QA/tests/pyqa3/pyqa3.nw b/QA/tests/pyqa3/pyqa3.nw
@@ -13,10 +13,10 @@ end
 
 python
 print ("value check:")
-print ("INT     = "), INT
-print ("DBL     = "), DBL
-print ("CHAR    = "), CHAR
-print ("LOGICAL = "), LOGICAL
+print ("INT     = ", INT)
+print ("DBL     = ", DBL)
+print ("CHAR    = ", CHAR)
+print ("LOGICAL = ", LOGICAL)
 
 rtdb_put("test_int2", 22)
 print (' Done 1')

diff --git a/src/python/nwchem_wrap.c b/src/python/nwchem_wrap.c
@@ -199,9 +199,12 @@ static int check_type(PyObject *obj)
 char *Parse_String(PyObject *arg)
 {
   char *out;
-  PyObject *ascii_string;
   if (PyUnicode_Check(arg)) {
-    ascii_string = PyUnicode_AsASCIIString(arg);
+    PyObject* ascii_string = PyUnicode_AsASCIIString(arg);
+    if (NULL == ascii_string ) {
+      PyErr_SetString(PyExc_TypeError, "PyUnicode_AsASCIIString failed");
+    return NULL;
+    }
     out = PyBytes_AsString(ascii_string);
     Py_DECREF(ascii_string);
   } else if (PyBytes_Check(arg)) {
@@ -294,7 +297,6 @@ static PyObject *wrap_rtdb_put(PyObject *self, PyObject *args)
     void *array = 0;
     PyObject *obj, *option_obj;
 
-    name = Parse_String(PyTuple_GetItem(args, 0));
     obj = PyTuple_GetItem(args, 1);
 
     if (PyList_Check(obj)) 
@@ -405,6 +407,7 @@ static PyObject *wrap_rtdb_put(PyObject *self, PyObject *args)
       break;
     }
 
+    name = Parse_String(PyTuple_GetItem(args, 0));
     if (!(rtdb_put(rtdb_handle, name, ma_type, list_len, array))) {
       PyErr_SetString(NwchemError, "rtdb_put failed");
       if ((ma_type != MT_CHAR) && array) free(array);
@@ -1838,6 +1841,10 @@ void initnwchem()
 #endif
   if (module == NULL)
     INITERROR;
+
+  NwchemError = PyErr_NewException("nwchem.NwchemError", NULL, NULL);
+  PyModule_AddObject(module, "NwchemError", NwchemError);
+
   struct module_state *st = GETSTATE(module);
   st->error = PyErr_NewException("nwchem.error", NULL, NULL);
   if (st->error == NULL) {