@@ -188,18 +188,14 @@ def test_get_linear_true():
188188 class _FakeRDKit_Chem :
189189 """Class to mock rdkit functionality."""
190190
191+ @staticmethod
191192 def RemoveHs (mol ):
192- rdkit_heavy = MagicMock ()
193193 return rdkit_heavy
194194
195195 class HybridizationType :
196- def SP ():
197- return "SP"
198-
199- def _get_atoms ():
200- return [a1 , a2 , a3 ]
196+ SP = "SP"
201197
202- rdkit_heavy .GetAtoms = MagicMock (side_effect = _get_atoms )
198+ rdkit_heavy .GetAtoms = MagicMock (return_value = [ a1 , a2 , a3 ] )
203199
204200 a1 .GetHybridization = MagicMock (return_value = "SP3" )
205201 a2 .GetHybridization = MagicMock (return_value = "SP" )
@@ -208,7 +204,7 @@ def _get_atoms():
208204 with patch ("CodeEntropy.levels.neighbors.Chem" , _FakeRDKit_Chem ):
209205 result = neighbors ._get_linear (rdkit_mol , number_heavy )
210206
211- assert result
207+ assert result is True
212208
213209
214210def test_get_linear_false ():
@@ -223,13 +219,12 @@ def test_get_linear_false():
223219 class _FakeRDKit_Chem :
224220 """Class to mock rdkit functionality."""
225221
222+ @staticmethod
226223 def RemoveHs (mol ):
227- rdkit_heavy = MagicMock ()
228224 return rdkit_heavy
229225
230226 class HybridizationType :
231- def SP ():
232- return "SP"
227+ SP = "SP"
233228
234229 rdkit_heavy .GetAtoms = MagicMock (return_value = [a1 , a2 , a3 ])
235230 a1 .GetHybridization = MagicMock (return_value = "SP3" )
@@ -239,4 +234,4 @@ def SP():
239234 with patch ("CodeEntropy.levels.neighbors.Chem" , _FakeRDKit_Chem ):
240235 result = neighbors ._get_linear (rdkit_mol , number_heavy )
241236
242- assert not result
237+ assert result is False
0 commit comments