def test_split(self):
self.atomN.add_connected(self.atomC3)
self.atomC3.add_connected(self.atomC2)
self.atomC2.add_connected(self.atomC1, 2)
mol = stub_mol([self.atomC1, self.atomC2, self.atomC3, self.atomN])
result = molecule_splitter.split(mol)
expected = {"CH2=CH": 1, "CH2NH2": 1}
self.assertEqual(result, expected)
def test_split(self):
self.atomN.add_connected(self.atomC3)
self.atomC3.add_connected(self.atomC2)
self.atomC2.add_connected(self.atomC1, 2)
mol = stub_mol([self.atomC1, self.atomC2, self.atomC3, self.atomN])
result = molecule_splitter.split(mol)
expected = {"CH2=CH": 1, "CH2NH2": 1}
self.assertEqual(result, expected)
def test_split1(self):
# construct propan-2-ole
self.atomC1.add_connected(self.atomO)
self.atomC1.add_connected(self.atomC2)
self.atomC1.add_connected(self.atomC3)
mol = stub_mol([self.atomC1, self.atomC2, self.atomC3, self.atomO])
result = molecule_splitter.split(mol)
expected = {"CH3": 2, "CH": 1, "OH": 1}
self.assertEqual(result, expected)
def test_split1(self):
# construct propan-2-ole
self.atomC1.add_connected(self.atomO)
self.atomC1.add_connected(self.atomC2)
self.atomC1.add_connected(self.atomC3)
mol = stub_mol([self.atomC1, self.atomC2, self.atomC3, self.atomO])
result = molecule_splitter.split(mol)
expected = {"CH3": 2, "CH": 1, "OH": 1}
self.assertEqual(result, expected)
def test_split2(self):
# construct cyclobutane
atomC = Atom("C")
atomC.add_connected(self.atomC1)
self.atomC1.add_connected(self.atomC2)
self.atomC2.add_connected(self.atomC3)
self.atomC3.add_connected(atomC)
mol = stub_mol([self.atomC1, atomC, self.atomC2, self.atomC3])
result = molecule_splitter.split(mol)
expected = {"CH2": 4}
self.assertEqual(result, expected)
def test_split2(self):
# construct cyclobutane
atomC = Atom("C")
atomC.add_connected(self.atomC1)
self.atomC1.add_connected(self.atomC2)
self.atomC2.add_connected(self.atomC3)
self.atomC3.add_connected(atomC)
mol = stub_mol([self.atomC1, atomC, self.atomC2, self.atomC3])
result = molecule_splitter.split(mol)
expected = {"CH2": 4}
self.assertEqual(result, expected)