def test_class(self):
# Tests entire class as single working unit
sm = StructureMatcher()
# Test group_structures and find_indices
out = sm.group_structures(self.struct_list)
self.assertEqual(sm.find_indexes(self.struct_list, out), [0, 0, 0, 1, 2, 3, 4, 0, 5, 6, 7, 8, 8, 9, 9, 10])
def test_class(self):
# Tests entire class as single working unit
sm = StructureMatcher()
# Test group_structures and find_indices
out = sm.group_structures(self.struct_list)
self.assertEqual(sm.find_indexes(self.struct_list, out),
[0, 0, 0, 1, 2, 3, 4, 0, 5, 6, 7, 8, 8, 9, 9, 10])
class RemoveDuplicatesFilterTest(unittest.TestCase):
def setUp(self):
with open(os.path.join(test_dir, "TiO2_entries.json"), "rb") as fp:
entries = json.load(fp, cls=PMGJSONDecoder)
self._struct_list = [e.structure for e in entries]
self._sm = StructureMatcher()
def test_filter(self):
transmuter = StandardTransmuter.from_structures(self._struct_list)
fil = RemoveDuplicatesFilter()
transmuter.apply_filter(fil)
out = self._sm.group_structures(transmuter.transformed_structures)
self.assertEqual(
self._sm.find_indexes(transmuter.transformed_structures, out), [0, 1, 2, 3, 4, 5, 6, 7, 8, 9, 10]
)
def test_to_from_dict(self):
fil = RemoveDuplicatesFilter()
d = fil.to_dict
self.assertIsInstance(RemoveDuplicatesFilter().from_dict(d), RemoveDuplicatesFilter)
class RemoveDuplicatesFilterTest(unittest.TestCase):
def setUp(self):
with open(os.path.join(test_dir, "TiO2_entries.json"), 'r') as fp:
entries = json.load(fp, cls=PMGJSONDecoder)
self._struct_list = [e.structure for e in entries]
self._sm = StructureMatcher()
def test_filter(self):
transmuter = StandardTransmuter.from_structures(self._struct_list)
fil = RemoveDuplicatesFilter()
transmuter.apply_filter(fil)
out = self._sm.group_structures(transmuter.transformed_structures)
self.assertEqual(
self._sm.find_indexes(transmuter.transformed_structures, out),
[0, 1, 2, 3, 4, 5, 6, 7, 8, 9, 10])
def test_to_from_dict(self):
fil = RemoveDuplicatesFilter()
d = fil.to_dict
self.assertIsInstance(RemoveDuplicatesFilter().from_dict(d),
RemoveDuplicatesFilter)