def test_binaries_zero_cutoff():
trajectories = MinimalFsPeptide().get_cached().trajectories
binarycontactfeaturizer = BinaryContactFeaturizer(cutoff=0)
binaries = binarycontactfeaturizer.transform(trajectories)
assert binaries[0].shape[1] == 171
assert np.sum(binaries[0]) == 0
def test_binaries_zero_cutoff():
trajectories = MinimalFsPeptide().get_cached().trajectories
binarycontactfeaturizer = BinaryContactFeaturizer(cutoff=0)
binaries = binarycontactfeaturizer.transform(trajectories)
assert binaries[0].shape[1] == 171
assert np.sum(binaries[0]) == 0
def test_binary_to_logistics():
trajectories = MinimalFsPeptide().get_cached().trajectories
steepness = np.absolute(10 * np.random.randn())
center = np.absolute(np.random.randn())
binarycontactfeaturizer = BinaryContactFeaturizer(cutoff=center)
binaries = binarycontactfeaturizer.transform(trajectories)
logisticcontactfeaturizer = LogisticContactFeaturizer(center=center, steepness=steepness)
logistics = logisticcontactfeaturizer.transform(trajectories)
# This checks that no distances that are larger than the center are logistically
# transformed such that they are less than 1/2
np.testing.assert_array_almost_equal(binaries[0], logistics[0] > 0.5)
def test_binary_to_logistics():
trajectories = MinimalFsPeptide().get_cached().trajectories
steepness = np.absolute(10 * np.random.randn())
center = np.absolute(np.random.randn())
binarycontactfeaturizer = BinaryContactFeaturizer(cutoff=center)
binaries = binarycontactfeaturizer.transform(trajectories)
logisticcontactfeaturizer = LogisticContactFeaturizer(center=center,
steepness=steepness)
logistics = logisticcontactfeaturizer.transform(trajectories)
# This checks that no distances that are larger than the center are logistically
# transformed such that they are less than 1/2
np.testing.assert_array_almost_equal(binaries[0], logistics[0] > 0.5)
