914209652fa7c2126df0220df997bb24a74a63e3,tests/chem/test_RDKitFingerprint.py,,test_tt_int,#,97
Before Change
def test_tt_int(data_path):
cls = RDKitFingerprint(fingerprint_type="tt", vector="int")
cls.read_("smiles/mol_[1-3].smi", data_path)
df = cls.fingerprint()
assert df.shape[1] == 42
def test_tt_bit_exception(data_path):
After Change
assert rdfp.n_molecules_ == 2
df = rdfp.represent(mol_single)
assert df.shape == (1, 22)
assert rdfp.n_molecules_ == 1
def test_tt_bit_exception(mol_single):
with pytest.raises(ValueError):
In pattern: SUPERPATTERN
Frequency: 6
Non-data size: 3
Instances
Project Name: hachmannlab/chemml
Commit Name: 914209652fa7c2126df0220df997bb24a74a63e3
Time: 2019-04-18
Author: mojtabah@buffalo.edu
File Name: tests/chem/test_RDKitFingerprint.py
Class Name:
Method Name: test_tt_int
Project Name: hachmannlab/chemml
Commit Name: 914209652fa7c2126df0220df997bb24a74a63e3
Time: 2019-04-18
Author: mojtabah@buffalo.edu
File Name: tests/chem/test_RDKitFingerprint.py
Class Name:
Method Name: test_htt_int
Project Name: hachmannlab/chemml
Commit Name: 914209652fa7c2126df0220df997bb24a74a63e3
Time: 2019-04-18
Author: mojtabah@buffalo.edu
File Name: tests/chem/test_RDKitFingerprint.py
Class Name:
Method Name: test_Morgan_bit
Project Name: hachmannlab/chemml
Commit Name: 914209652fa7c2126df0220df997bb24a74a63e3
Time: 2019-04-18
Author: mojtabah@buffalo.edu
File Name: tests/chem/test_RDKitFingerprint.py
Class Name:
Method Name: test_htt_bit
Project Name: hachmannlab/chemml
Commit Name: 914209652fa7c2126df0220df997bb24a74a63e3
Time: 2019-04-18
Author: mojtabah@buffalo.edu
File Name: tests/chem/test_RDKitFingerprint.py
Class Name:
Method Name: test_hap_int
Project Name: hachmannlab/chemml
Commit Name: 914209652fa7c2126df0220df997bb24a74a63e3
Time: 2019-04-18
Author: mojtabah@buffalo.edu
File Name: tests/chem/test_RDKitFingerprint.py
Class Name:
Method Name: test_Morgan_int