def test_look_for_group(self):
self.atomN.add_connected(self.atomC3)
self.atomC3.add_connected(self.atomC2)
self.atomC2.add_connected(self.atomC1, 2)
result = molecule_splitter._look_for_group(
"CH2=CH", [self.atomC1, self.atomC2, self.atomC3, self.atomN], {"C": [0, 1, 2], "N": 3}
)
expected = [[0, 1]]
self.assertEqual(result, expected)
result = molecule_splitter._look_for_group(
"CH2NH2", [self.atomC1, self.atomC2, self.atomC3, self.atomN], {"C": [0, 1, 2], "N": 3}
)
expected = [[2, 3]]
self.assertEqual(result, expected)
def test_look_for_group(self):
self.atomN.add_connected(self.atomC3)
self.atomC3.add_connected(self.atomC2)
self.atomC2.add_connected(self.atomC1, 2)
result = molecule_splitter._look_for_group(
"CH2=CH", [self.atomC1, self.atomC2, self.atomC3, self.atomN], {
"C": [0, 1, 2],
"N": 3
})
expected = [[0, 1]]
self.assertEqual(result, expected)
result = molecule_splitter._look_for_group(
"CH2NH2", [self.atomC1, self.atomC2, self.atomC3, self.atomN], {
"C": [0, 1, 2],
"N": 3
})
expected = [[2, 3]]
self.assertEqual(result, expected)
def test_look_for_group1(self):
self.atomC1.add_connected(self.atomC2)
self.atomC1.add_connected(self.atomC3)
self.atomC1.add_connected(self.atomN)
self.atomC1.add_connected(self.atomO)
result = molecule_splitter._look_for_group(
"CH0", [self.atomC1, self.atomC2, self.atomC3, self.atomN], {"C": [0, 1, 2], "N": 3}
)
expected = [[0]]
self.assertEqual(result, expected)
def test_look_for_group1(self):
self.atomC1.add_connected(self.atomC2)
self.atomC1.add_connected(self.atomC3)
self.atomC1.add_connected(self.atomN)
self.atomC1.add_connected(self.atomO)
result = molecule_splitter._look_for_group(
"CH0", [self.atomC1, self.atomC2, self.atomC3, self.atomN], {
"C": [0, 1, 2],
"N": 3
})
expected = [[0]]
self.assertEqual(result, expected)
