diff --git a/python/converters/vasp/test/inpconf/test10.cfg b/python/converters/vasp/test/inpconf/test10.cfg new file mode 100644 index 00000000..f8ae6295 --- /dev/null +++ b/python/converters/vasp/test/inpconf/test10.cfg @@ -0,0 +1,24 @@ +[General] + +[Group 1] +SHELLS = 1 2 +EMIN = -7.6 +EMAX = 3.0 + +[Shell 1] +LSHELL = 2 +IONS = 5..8 + +[Shell 2] +LSHELL = 1 +IONS = 1..4 + +RTRANSFORM = 0.0 1.0 0.0 + 1.0 0.0 0.0 + 0.0 0.0 1.0 + +[Shell 3] +LSHELL = 3 +IONS = 1..4 + + diff --git a/python/converters/vasp/test/inpconf/test_inpconf.py b/python/converters/vasp/test/inpconf/test_inpconf.py index 1e8dcfd6..08bfa243 100644 --- a/python/converters/vasp/test/inpconf/test_inpconf.py +++ b/python/converters/vasp/test/inpconf/test_inpconf.py @@ -317,6 +317,12 @@ class TestSpecialParsers(unittest.TestCase): with self.assertRaisesRegexp(Exception, err_mess): conf_pars.parse_input() +# Scenario 4 + conf_pars = ConfigParameters('test10.cfg') + err_mess = "Some shells are not inside" + with self.assertRaisesRegexp(AssertionError, err_mess): + conf_pars.parse_input() +