Added Scenario 4 to 'test_parse_input()' (test10.cfg)

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
+
+

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()
+