stronger integration score for cli score

integration_tests/test_cli_score.py

@@ -28,4 +28,25 @@ def test_cli_score():
         with redirect_stdout(f):
             cli_score.main(pdb_f, tmpdir, full=True, keep_all=False, w_vdw=0.5)
         out = f.getvalue().split(os.linesep)
-        assert out[3].startswith("> HADDOCK-score = (0.5 * vdw) + ")
+        assert out[4].startswith("> HADDOCK-score = (0.5 * vdw) + ")
+
+        # now putting some non-standard emscoring parameters
+        kwargs_dict = {
+            "elecflag": "False", # this is a boolean
+            "epsilon": "2.0", # this is a float
+            "nemsteps": "100", # this is an int
+            }
+        f = io.StringIO()
+        with redirect_stdout(f):
+            cli_score.main(pdb_f, tmpdir, full=True, keep_all=False, **kwargs_dict)
+        out = f.getvalue().split(os.linesep)
+        print(out)
+        assert out[0].startswith("* ATTENTION * Value (False) of parameter elecflag different from default")
+        assert out[1].startswith("* ATTENTION * Value (2.0) of parameter epsilon different from default")
+        assert out[2].startswith("* ATTENTION * Value (100) of parameter nemsteps different from default")
+        # check the used parameters
+        assert out[4].startswith("used emscoring parameters: ")
+        assert out[4].split("elecflag':")[1].split(",")[0].strip() == "False"
+
+        assert out[-3].startswith("> HADDOCK-score (emscoring) = ")
+