def test_load_file(self):
"""
Load an image from a file.
"""
im = Image.fromarray(self.pixels, mode='RGB')
_, filename = tempfile.mkstemp(suffix='.png')
im.save(filename)
im = image_utils.load(filename)
assert np.array_equal(self.pixels, image_utils.get_pixels(im))
def test_load_file(self):
"""
Load an image from a file.
"""
im = Image.fromarray(self.pixels, mode="RGB")
_, filename = tempfile.mkstemp(suffix=".png")
im.save(filename)
im = image_utils.load(filename)
assert np.array_equal(self.pixels, image_utils.get_pixels(im))
def test_load_string(self):
"""
Load an image from binary string.
"""
im = Image.fromarray(self.pixels, mode='RGB')
_, filename = tempfile.mkstemp(suffix='.png')
im.save(filename)
with open(filename) as f:
string = f.read()
im = image_utils.load(string)
assert np.array_equal(self.pixels, image_utils.get_pixels(im))
def test_load_string(self):
"""
Load an image from binary string.
"""
im = Image.fromarray(self.pixels, mode="RGB")
_, filename = tempfile.mkstemp(suffix=".png")
im.save(filename)
with open(filename) as f:
string = f.read()
im = image_utils.load(string)
assert np.array_equal(self.pixels, image_utils.get_pixels(im))
def _featurize(self, mol):
"""
Generate a 2D depiction of a molecule.
Parameters
----------
mol : RDKit Mol
Molecule.
"""
dim = (self.size, self.size)
if self.engine == 'obabel':
image = ob_utils.MolImage(self.size)(mol)
elif self.engine == 'rdkit':
image = Draw.MolToImage(mol, dim, fitImage=True)
image = image.convert('RGB') # drop alpha channel
else:
raise NotImplementedError(self.engine)
pixels = image_utils.get_pixels(image)
if self.flatten:
pixels = pixels.ravel()
return pixels
def test_get_pixels(self):
"""
Read pixels from image.
"""
im = Image.fromarray(self.pixels, mode='RGB')
assert np.array_equal(self.pixels, image_utils.get_pixels(im))
def test_get_pixels(self):
"""
Read pixels from image.
"""
im = Image.fromarray(self.pixels, mode="RGB")
assert np.array_equal(self.pixels, image_utils.get_pixels(im))