"plugins/amoeba/vscode:/vscode.git/clone" did not exist on "a90c90e206c4880f5b27cb7993ec19939243c514"
Commit 1665962a authored by Stephen Constable's avatar Stephen Constable
Browse files

Commenting change

Updated description of unit test that was added.
parent 67866992
...@@ -52,7 +52,7 @@ class TestGromacsTopFile(unittest.TestCase): ...@@ -52,7 +52,7 @@ class TestGromacsTopFile(unittest.TestCase):
self.assertAlmostEqual(ene.value_in_unit(kilojoules_per_mole), 341.6905133582857) self.assertAlmostEqual(ene.value_in_unit(kilojoules_per_mole), 341.6905133582857)
def test_SMOG(self): def test_SMOG(self):
""" Test Gromacs topology #define replacement as used in ff99SB-ILDN """ """ Test to ensure that SMOG models can be run without problems """
top = GromacsTopFile('systems/2ci2.pdb.top') top = GromacsTopFile('systems/2ci2.pdb.top')
gro = GromacsGroFile('systems/2ci2.pdb.gro') gro = GromacsGroFile('systems/2ci2.pdb.gro')
system = top.createSystem() system = top.createSystem()
......
Markdown is supported
0% or .
You are about to add 0 people to the discussion. Proceed with caution.
Finish editing this message first!
Please register or to comment