static PyObject * refine_cell(PyObject *self, PyObject *args)
{
int num_atom;
double symprec, angle_tolerance;
PyArrayObject* lattice;
PyArrayObject* position;
PyArrayObject* atom_type;
if (!PyArg_ParseTuple(args, "OOOidd",
&lattice,
&position,
&atom_type,
&num_atom,
&symprec,
&angle_tolerance)) {
return NULL;
}
double (*lat)[3] = (double(*)[3])PyArray_DATA(lattice);
SPGCONST double (*pos)[3] = (double(*)[3])PyArray_DATA(position);
int* typat = (int*)PyArray_DATA(atom_type);
int num_atom_std = spgat_refine_cell(lat,
pos,
typat,
num_atom,
symprec,
angle_tolerance);
return PyLong_FromLong((long) num_atom_std);
}
static PyObject * refine_cell(PyObject *self, PyObject *args)
{
int i, num_atom;
double symprec, angle_tolerance;
PyArrayObject* lattice;
PyArrayObject* position;
PyArrayObject* atom_type;
if (!PyArg_ParseTuple(args, "OOOidd",
&lattice,
&position,
&atom_type,
&num_atom,
&symprec,
&angle_tolerance)) {
return NULL;
}
double (*lat)[3] = (double(*)[3])lattice->data;
SPGCONST double (*pos)[3] = (double(*)[3])position->data;
long* typat_long = (long*)atom_type->data;
int typat[atom_type->dimensions[0]];
for (i = 0; i < num_atom; i++) {
typat[i] = (int)typat_long[i];
}
int num_atom_brv = spgat_refine_cell(lat,
pos,
typat,
num_atom,
symprec,
angle_tolerance);
for (i = 0; i < num_atom_brv; i++) {
typat_long[i] = typat[i];
}
return PyInt_FromLong((long) num_atom_brv);
}
