Source code for mordred.tests.test_SLogP

from rdkit import Chem
from numpy.testing import assert_almost_equal

from mordred.SLogP import SMR, SLogP


[docs]def test_WildmanCrippen1():
    mol = Chem.MolFromSmiles('Oc1ccccc1OC')
    yield assert_almost_equal, SLogP()(mol), 1.4, 2
    yield assert_almost_equal, SMR()(mol), 34.66, 2


[docs]def test_WildmanCrippen2():
    mol = Chem.MolFromSmiles('c1ccccc1c2ccccn2')
    yield assert_almost_equal, SLogP()(mol), 2.75, 2