Test atom names in GLY and ALA after mutation.

tests/test_mutate.py

@@ -16,7 +16,11 @@ def test_mutate_1():
     
     
     new_residue57 = list(fixer.topology.residues())[16]
     new_residue57 = list(fixer.topology.residues())[16]
     assert new_residue57.name == "GLY", "Name of mutated residue did not change correctly!"
     assert new_residue57.name == "GLY", "Name of mutated residue did not change correctly!"
-    assert len(list(new_residue57.atoms())) == 7, "Should have 7 atoms in GLY 56"    
+    assert len(list(new_residue57.atoms())) == 7, "Should have 7 atoms in GLY 56"
+    
+    atom_names = set([atom.name for atom in new_residue57.atoms()])
+    desired_atom_names = set(["N", "CA", "C", "O", "H", "HA3", "HA2"])
+    assert atom_names == desired_atom_names, "Atom Names did not match for GLY 56"    
 
 
 
 
 def test_mutate_2():
 def test_mutate_2():
@@ -34,6 +38,11 @@ def test_mutate_2():
     
     
     assert len(list(new_residue56.atoms())) == 10, "Should have 10 atoms in ALA 56"
     assert len(list(new_residue56.atoms())) == 10, "Should have 10 atoms in ALA 56"
     assert len(list(new_residue57.atoms())) == 19, "Should have 19 atoms in LEU 57"
     assert len(list(new_residue57.atoms())) == 19, "Should have 19 atoms in LEU 57"
+    
+    atom_names = set([atom.name for atom in new_residue56.atoms()])
+    desired_atom_names = set(["N", "CA", "CB", "C", "O", "H", "HA", "HB1", "HB2", "HB3"])
+    assert atom_names == desired_atom_names, "Atom Names did not match for ALA 56"
+
 
 
 
 
 @raises(ValueError)
 @raises(ValueError)