add more tests

KarrLab · Jul 5, 2019 · d96bb48 · d96bb48
1 parent 0db24d6
commit d96bb48
Show file tree

Hide file tree

Showing 2 changed files with 8 additions and 52 deletions.
diff --git a/bcforms/core.py b/bcforms/core.py
@@ -811,52 +811,3 @@ def is_equal(self, other):
                 return False
 
         return True
-
-
-# if __name__ == '__main__':
-    # atom_1 = Atom(subunit='abc', subunit_idx=1, element='H', position=1, monomer=10, charge=0)
-    # atom_2 = Atom(subunit='abc', subunit_idx=1, element='H', position=1, monomer=10, charge=0)
-    # atom_3 = Atom(subunit='def', subunit_idx=1, element='H', position=1, monomer=10, charge=0)
-
-    # print(atom_1.is_equal(atom_1))
-    # print(atom_1.is_equal('atom'))
-    # print(atom_1.is_equal(atom_2))
-    # print(atom_1.is_equal(atom_3))
-
-    # crosslink_1 = Crosslink()
-    # crosslink_1.left_bond_atoms.append(atom_1)
-    # crosslink_1.right_bond_atoms.append(atom_2)
-    #
-    # crosslink_2 = Crosslink()
-    # crosslink_2.left_bond_atoms.append(atom_1)
-    # crosslink_2.right_bond_atoms.append(atom_2)
-    #
-    # crosslink_3 = Crosslink()
-    # crosslink_3.left_bond_atoms.append(atom_1)
-    # crosslink_3.right_bond_atoms.append(atom_2)
-    # crosslink_3.right_bond_atoms.append(atom_3)
-    #
-    # crosslink_4 = Crosslink()
-    # crosslink_4.left_bond_atoms.append(atom_1)
-    # crosslink_4.right_bond_atoms.append(atom_3)
-    #
-    #
-    # print(crosslink_1.is_equal(crosslink_1))
-    # print(crosslink_1.is_equal(atom_1))
-    # print(crosslink_1.is_equal(crosslink_2))
-    # print(crosslink_1.is_equal(crosslink_3))
-    # print(crosslink_1.is_equal(crosslink_4))
-
-    # bc_form_1 = BcForm().from_str('abc_a + abc_a + 3 * abc_b')
-    # bc_form_2 = BcForm().from_str('3 * abc_b + 2 * abc_a')
-    # bc_form_3 = BcForm().from_str('abc_a + abc_a + 3 * abc_b | crosslink: [left-bond-atom: abc_a(1)-2O1 | left-displaced-atom: abc_a(1)-2H1 | right-bond-atom: abc_b(1)-3C1 | right-displaced-atom: abc_b(1)-3H1 | right-displaced-atom: abc_b(1)-3O1]')
-    # bc_form_4 = BcForm().from_str('abc_a + abc_a + 3 * abc_b | crosslink: [left-bond-atom: abc_a(1)-2O1 | right-bond-atom: abc_b(1)-3C1 | left-displaced-atom: abc_a(1)-2H1 | right-displaced-atom: abc_b(1)-3H1 | right-displaced-atom: abc_b(1)-3O1]')
-    # bc_form_5 = BcForm().from_str('abc_a + abc_a + 3 * abc_b | crosslink: [left-bond-atom: abc_a(1)-2O1 | left-displaced-atom: abc_a(1)-2H1 | right-bond-atom: abc_b(1)-3C1 | right-displaced-atom: abc_b(1)-3H1]')
-    #
-    #
-    # print(bc_form_1.is_equal(bc_form_1))
-    # print(bc_form_1.is_equal('form'))
-    # print(bc_form_1.is_equal(bc_form_2))
-    # print(bc_form_1.is_equal(bc_form_3))
-    # print(bc_form_3.is_equal(bc_form_4))
-    # print(bc_form_3.is_equal(bc_form_5))
diff --git a/tests/test_core.py b/tests/test_core.py
@@ -66,8 +66,10 @@ def test_set_charge(self):
             atom.charge = None
 
     def test_str(self):
-        atom = core.Atom(subunit='abc', subunit_idx=1, element='H', position=1, monomer=10, charge=0)
-        self.assertEqual(str(atom), 'abc(1)-10H1')
+        atom_1 = core.Atom(subunit='abc', subunit_idx=1, element='H', position=1, monomer=10, charge=0)
+        self.assertEqual(str(atom_1), 'abc(1)-10H1')
+        atom_2 = core.Atom(subunit='abc', subunit_idx=1, element='H', position=1, monomer=10, charge=1)
+        self.assertEqual(str(atom_2), 'abc(1)-10H1+1')
 
     def test_is_equal(self):
 
@@ -294,11 +296,14 @@ def test_is_equal(self):
         bc_form_3 = core.BcForm().from_str('abc_a + abc_a + 3 * abc_b | crosslink: [left-bond-atom: abc_a(1)-2O1 | left-displaced-atom: abc_a(1)-2H1 | right-bond-atom: abc_b(1)-3C1 | right-displaced-atom: abc_b(1)-3H1 | right-displaced-atom: abc_b(1)-3O1]')
         bc_form_4 = core.BcForm().from_str('abc_a + abc_a + 3 * abc_b | crosslink: [left-bond-atom: abc_a(1)-2O1 | right-bond-atom: abc_b(1)-3C1 | left-displaced-atom: abc_a(1)-2H1 | right-displaced-atom: abc_b(1)-3H1 | right-displaced-atom: abc_b(1)-3O1]')
         bc_form_5 = core.BcForm().from_str('abc_a + abc_a + 3 * abc_b | crosslink: [left-bond-atom: abc_a(1)-2O1 | left-displaced-atom: abc_a(1)-2H1 | right-bond-atom: abc_b(1)-3C1 | right-displaced-atom: abc_b(1)-3H1]')
-
+        bc_form_6 = core.BcForm().from_str('2 * abc_a')
+        bc_form_7 = core.BcForm().from_str('4 * abc_a + 3 * abc_b')
 
         self.assertTrue(bc_form_1.is_equal(bc_form_1))
         self.assertFalse(bc_form_1.is_equal('form'))
         self.assertTrue(bc_form_1.is_equal(bc_form_2))
         self.assertFalse(bc_form_1.is_equal(bc_form_3))
         self.assertTrue(bc_form_3.is_equal(bc_form_4))
         self.assertFalse(bc_form_3.is_equal(bc_form_5))
+        self.assertFalse(bc_form_1.is_equal(bc_form_6))
+        self.assertFalse(bc_form_1.is_equal(bc_form_7))