more tests

This commit is contained in:
Martin Diehl 2019-12-04 05:49:43 +01:00
parent fecd4632b4
commit 32ebcea207
1 changed files with 16 additions and 0 deletions

View File

@ -42,6 +42,22 @@ class TestDADF5:
in_file = default.read_dataset(loc['sigma'],0)
assert np.allclose(in_memory,in_file)
def test_add_determinant(self,default):
default.add_determinant('P')
loc = {'P': default.get_dataset_location('P'),
'det(P)':default.get_dataset_location('det(P)')}
in_memory = np.linalg.det(default.read_dataset(loc['P'],0))
in_file = default.read_dataset(loc['det(P)'],0)
assert np.allclose(in_memory,in_file)
def test_add_norm(self,default):
default.add_norm('F',1)
loc = {'F': default.get_dataset_location('F'),
'|F|_1':default.get_dataset_location('|F|_1')}
in_memory = np.linalg.norm(default.read_dataset(loc['F'],0),ord=1,axis=(1,2),keepdims=True)
in_file = default.read_dataset(loc['|F|_1'],0)
assert np.allclose(in_memory,in_file)
def test_add_absolute(self,default):
default.add_absolute('Fe')
loc = {'Fe': default.get_dataset_location('Fe'),