static PyObject * find_primitive(PyObject *self, PyObject *args)
{
double symprec, angle_tolerance;
PyArrayObject* lattice;
PyArrayObject* position;
PyArrayObject* atom_type;
if (!PyArg_ParseTuple(args, "OOOdd",
&lattice,
&position,
&atom_type,
&symprec,
&angle_tolerance)) {
return NULL;
}
double (*lat)[3] = (double(*)[3])lattice->data;
double (*pos)[3] = (double(*)[3])position->data;
int num_atom = position->dimensions[0];
int* types = (int*)atom_type->data;
int num_atom_prim = spgat_find_primitive(lat,
pos,
types,
num_atom,
symprec,
angle_tolerance);
return PyInt_FromLong((long) num_atom_prim);
}
static PyObject * find_primitive(PyObject *self, PyObject *args)
{
double symprec, angle_tolerance;
PyArrayObject* lattice;
PyArrayObject* position;
PyArrayObject* atom_type;
if (!PyArg_ParseTuple(args, "OOOdd",
&lattice,
&position,
&atom_type,
&symprec,
&angle_tolerance)) {
return NULL;
}
double (*lat)[3] = (double(*)[3])PyArray_DATA(lattice);
double (*pos)[3] = (double(*)[3])PyArray_DATA(position);
int num_atom = PyArray_DIMS(position)[0];
int* types = (int*)PyArray_DATA(atom_type);
int num_atom_prim = spgat_find_primitive(lat,
pos,
types,
num_atom,
symprec,
angle_tolerance);
return PyLong_FromLong((long) num_atom_prim);
}
static PyObject * find_primitive(PyObject *self, PyObject *args)
{
int i;
double symprec, angle_tolerance;
PyArrayObject* lattice;
PyArrayObject* position;
PyArrayObject* atom_type;
if (!PyArg_ParseTuple(args, "OOOdd",
&lattice,
&position,
&atom_type,
&symprec,
&angle_tolerance)) {
return NULL;
}
double (*lat)[3] = (double(*)[3])lattice->data;
double (*pos)[3] = (double(*)[3])position->data;
int num_atom = position->dimensions[0];
long* types_long = (long*)atom_type->data;
int types[num_atom];
for (i = 0; i < num_atom; i++) {
types[i] = (int)types_long[i];
}
int num_atom_prim = spgat_find_primitive(lat,
pos,
types,
num_atom,
symprec,
angle_tolerance);
for (i = 0; i < num_atom_prim; i++) {
types_long[i] = types[i];
}
return PyInt_FromLong((long) num_atom_prim);
}
