def testDrawRDKit(self):
m = Chem.MolFromSmiles('c1ccccc1CC1CC1')
bi = {}
rdkfp = Chem.RDKFingerprint(m, maxPath=5, bitInfo=bi)
self.assertTrue(1553 in bi)
svg1 = Draw.DrawRDKitBit(m, 1553, bi)
path = bi[1553][0]
svg2 = Draw.DrawRDKitEnv(m, path)
self.assertEqual(svg1, svg2)
self.assertTrue("style='fill:#E5E533;" in svg1)
self.assertFalse("style='fill:#CCCCCC;" in svg1)
self.assertFalse("style='fill:#9999E5;" in svg1)
with self.assertRaises(KeyError):
Draw.DrawRDKitBit(m, 32, bi)
def testDrawRDKit(self):
m = Chem.MolFromSmiles('c1ccccc1CC1CC1')
bi = {}
_ = Chem.RDKFingerprint(m, maxPath=5, bitInfo=bi)
self.assertTrue(1553 in bi)
svg1 = Draw.DrawRDKitBit(m, 1553, bi)
path = bi[1553][0]
svg2 = Draw.DrawRDKitEnv(m, path)
self.assertEqual(svg1, svg2)
self.assertTrue("style='fill:#E5E533;" in svg1)
self.assertFalse("style='fill:#CCCCCC;" in svg1)
self.assertFalse("style='fill:#9999E5;" in svg1)
with self.assertRaises(KeyError):
Draw.DrawRDKitBit(m, 32, bi)
if hasattr(Draw, 'MolDraw2DCairo'):
# Github #3796: make sure we aren't trying to generate metadata:
png = Draw.DrawRDKitBit(m, 1553, bi, useSVG=False)
self.assertIn(b'PNG', png)
self.assertIsNone(Chem.MolFromPNGString(png))
