def test_AAs(self):
a = parser_for_CGN_overview()
a = a.parse_args([test_filenames.CGN_3SN6,
])
a.__setattr__("AAs","LEU394,LEU395")
a.__setattr__("topology",test_filenames.top_pdb)
cli._fragment_overview(a, "CGN")
def test_CGN_paths(self):
with TemporaryDirectory(suffix='_test_mdciao') as tmpdir:
path_to_CGN_3SN6 = _path.join(tmpdir,_path.basename(test_filenames.CGN_3SN6))
#path_to_PDB_3SN6 = _path.join(tmpdir,_path.basename(test_filenames.pdb_3SN6))
shutil.copy(test_filenames.CGN_3SN6, tmpdir)
shutil.copy(test_filenames.pdb_3SN6, tmpdir)
with remember_cwd():
os.chdir(tmpdir)
a = parser_for_CGN_overview()
a = a.parse_args([path_to_CGN_3SN6])
a.__setattr__("topology",test_filenames.top_pdb)
cli._fragment_overview(a, "CGN")
def test_no_top(self):
a = parser_for_BW_overview()
a = a.parse_args([test_filenames.adrb2_human_xlsx])
a.__setattr__("labels","3.50")
cli._fragment_overview(a, "BW")
def test_raises(self):
with pytest.raises(ValueError):
cli._fragment_overview(None, "BWx")
def test_BW_url(self):
a = parser_for_BW_overview()
a = a.parse_args(["adrb2_human"])
a.__setattr__("topology",test_filenames.pdb_3SN6)
cli._fragment_overview(a, "BW")
def test_BW_paths_and_verbose(self):
a = parser_for_BW_overview()
a = a.parse_args([test_filenames.adrb2_human_xlsx])
a.__setattr__("print_conlab",True)
a.__setattr__("topology",test_filenames.top_pdb)
cli._fragment_overview(a, "BW")