def test_depict(self):
SMILES = helium.Smiles()
mol = helium.Molecule()
self.assertTrue(SMILES.read('c1ccccc1', mol))
coords = helium.generate_diagram(mol)
painter = helium.SVGPainter()
depict = helium.Depict(painter)
rings = helium.relevant_cycles(mol)
depict.drawMolecule(mol, rings, coords)
print painter.output()
import helium
import unittest
SMILES = helium.Smiles()
class TestEnumeratePaths(unittest.TestCase):
def test_enumerate_paths(self):
mol = helium.Molecule()
SMILES.read('CCC', mol)
paths = helium.enumerate_paths(mol, 7)
self.assertTrue(isinstance(paths, list))
self.assertEqual(6, len(paths))
self.assertListEqual([0], paths[0])
self.assertListEqual([1], paths[1])
self.assertListEqual([2], paths[2])
self.assertListEqual([0, 1], paths[3])
self.assertListEqual([1, 2], paths[4])
self.assertListEqual([0, 1, 2], paths[5])
paths = helium.enumerate_paths(mol, 2)
self.assertEqual(5, len(paths))
self.assertListEqual([0], paths[0])
self.assertListEqual([1], paths[1])
self.assertListEqual([2], paths[2])
self.assertListEqual([0, 1], paths[3])
self.assertListEqual([1, 2], paths[4])
if __name__ == '__main__':