914209652fa7c2126df0220df997bb24a74a63e3,tests/chem/test_RDKitFingerprint.py,,test_Morgan_bit,#,76

Before Change



def test_Morgan_bit(data_path):
    cls = RDKitFingerprint(fingerprint_type="Morgan", vector="bit")
    cls.read_("smiles/mol_[1-3].smi", data_path)
    df = cls.fingerprint()
    assert df.shape[1] == 1024


def test_htt_int(data_path):

After Change




def test_Morgan_bit(mol_list, mol_single):
    rdfp = RDKitFingerprint(fingerprint_type="Morgan", vector="bit")
    df = rdfp.represent(mol_list)
    assert df.shape == (2, 1024)
    assert rdfp.n_molecules_ == 2
    df = rdfp.represent(mol_single)
    assert df.shape == (1, 1024)
    assert rdfp.n_molecules_ == 1
    // kwargs
    rdfp = RDKitFingerprint(fingerprint_type="Morgan", vector="bit", radius = 3,
Italian Trulli
In pattern: SUPERPATTERN

Frequency: 6

Non-data size: 8

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_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_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_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_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_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_Morgan_bit