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 depict(self, mol):
"""
Generate a PNG image from a SMILES string.
Parameters
----------
mol : RDMol
Molecule.
size : int, optional (default 32)
Size (in any direction) of generated image.
"""
smiles = Chem.MolToSmiles(mol, isomericSmiles=True, canonical=True)
args = ["obabel", "-i", "can", "-o", "png", "-xd", "-xC", "-xp {}".format(self.size)]
p = subprocess.Popen(args, stdin=subprocess.PIPE, stdout=subprocess.PIPE, stderr=subprocess.PIPE)
png, _ = p.communicate(smiles)
im = image_utils.load(png)
return im
def depict(self, mol):
"""
Generate a PNG image from a SMILES string.
Parameters
----------
mol : RDMol
Molecule.
size : int, optional (default 32)
Size (in any direction) of generated image.
"""
smiles = Chem.MolToSmiles(mol, isomericSmiles=True, canonical=True)
args = ['obabel', '-i', 'can', '-o', 'png', '-xd', '-xC',
'-xp {}'.format(self.size)]
p = subprocess.Popen(args, stdin=subprocess.PIPE,
stdout=subprocess.PIPE, stderr=subprocess.PIPE)
png, _ = p.communicate(smiles)
im = image_utils.load(png)
return im
