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2nd try at fix for issue https://github.com/nwchemgit/nwchem/issues/69. Root cause: Fortran logical are stored as int in rtdb_seq.c

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edoapra 2018-10-09 14:04:01 -07:00
parent 3faf2a38b4
commit f6f1d55782
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GPG key ID: 79CA3F28FF1B91CE
1 changed files with 37 additions and 2 deletions
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39
src/python/nwchem_wrap.c
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@ -83,6 +83,29 @@ extern Integer FATR util_sgroup_numgroups_(void);
extern Integer FATR util_sgroup_mygroup_(void);
extern Integer FATR util_sgroup_zero_group_(void);
static PyObject *nwwrap_c_ints(int n, int a[])
{
PyObject *sObj;
int i;
if (n == 1)
return PyInteger_FromLong(a[0]);
if (!(sObj=PyList_New(n))) return NULL;
for(i=0; i<n; i++) {
PyObject *oObj = PyInteger_FromLong(a[i]);
if (!oObj) {
Py_DECREF(sObj);
return NULL;
}
if (PyList_SetItem(sObj,i,oObj)) {
Py_DECREF(sObj);
Py_DECREF(oObj);
return NULL;
}
}
return sObj;
}
static PyObject *nwwrap_integers(int n, Integer a[])
{
PyObject *sObj;
@ -267,6 +290,7 @@ static PyObject *wrap_rtdb_put(PyObject *self, PyObject *args)
int ma_type = -1;
char *name;
Integer* int_array;
int* c_int_array;
double *dbl_array;
char *char_array;
char cbuf[8192], *ptr;
@ -323,9 +347,17 @@ static PyObject *wrap_rtdb_put(PyObject *self, PyObject *args)
}
switch (ma_type) {
case MT_BASE + 11: /* Logical */
c_int_array = array;
for (i = 0; i < list_len; i++) {
if (list)
c_int_array[i] = PyInteger_AsLong(PyList_GetItem(obj, i));
else
c_int_array[i] = PyInteger_AsLong(obj);
}
break;
case MT_INT:
case MT_F_INT:
case MT_BASE + 11: /* Logical */
int_array = array;
for (i = 0; i < list_len; i++) {
if (list)
@ -411,9 +443,10 @@ PyObject *wrap_rtdb_get(PyObject *self, PyObject *args)
nelem, array);*/
switch (ma_type) {
case MT_BASE + 11 :
format_char = 'b'; break;
case MT_F_INT:
case MT_INT :
case MT_BASE + 11 :
format_char = 'i'; break;
case MT_F_DBL:
case MT_DBL :
@ -455,6 +488,8 @@ PyObject *wrap_rtdb_get(PyObject *self, PyObject *args)
}
switch (format_char) {
case 'b':
returnObj = nwwrap_c_ints(nelem, array); break;
case 'i':
returnObj = nwwrap_integers(nelem, array); break;
case 'd':