diff --git a/tests/test_get_atom_params.py b/tests/test_get_atom_params.py new file mode 100644 index 0000000..b8b9273 --- /dev/null +++ b/tests/test_get_atom_params.py @@ -0,0 +1,13 @@ +from xtal2txt.core import TextRep +import os + +THIS_DIR = os.path.dirname(os.path.abspath(__file__)) + +srtio3_p1 = TextRep.from_input(os.path.join(THIS_DIR, "data", "SrTiO3_p1.cif")) + + +def test_get_atom_params() -> None: + expected_wo_params = "Sr Ti O O O" + expected_w_params = "Sr Ti O O O 90 90 90 3.91 3.91 3.91" + assert srtio3_p1.get_atom_params() == expected_wo_params + assert srtio3_p1.get_atom_params(lattice_params=True) == expected_w_params \ No newline at end of file