added gain/lose charge atom test

Author: davidfarinajr

rmgpy/molecule/moleculeTest.py

@@ -366,6 +366,34 @@ def test_apply_action_lose_radical(self):
             self.assertEqual(atom0.charge, atom.charge)
             self.assertEqual(atom0.label, atom.label)
 
+    def test_apply_action_gain_charge(self):
+        """
+        Test the Atom.apply_action() method for a GAIN_CHARGE action.
+        """
+        action = ['GAIN_CHARGE', '*1', 1]
+        for element in element_list:
+            atom0 = Atom(element=element, radical_electrons=1, charge=0, label='*1', lone_pairs=0)
+            atom = atom0.copy()
+            atom.apply_action(action)
+            self.assertEqual(atom0.element, atom.element)
+            self.assertEqual(atom0.radical_electrons, atom.radical_electrons + 1)
+            self.assertEqual(atom0.charge, atom.charge - 1)
+            self.assertEqual(atom0.label, atom.label)
+
+    def test_apply_action_lose_charge(self):
+        """
+        Test the Atom.apply_action() method for a LOSE_CHARGE action.
+        """
+        action = ['LOSE_CHARGE', '*1', 1]
+        for element in element_list:
+            atom0 = Atom(element=element, radical_electrons=1, charge=0, label='*1', lone_pairs=0)
+            atom = atom0.copy()
+            atom.apply_action(action)
+            self.assertEqual(atom0.element, atom.element)
+            self.assertEqual(atom0.radical_electrons, atom.radical_electrons - 1)
+            self.assertEqual(atom0.charge, atom.charge + 1)
+            self.assertEqual(atom0.label, atom.label)
+
     def test_equivalent(self):
         """
         Test the Atom.equivalent() method.