Changeset cd91bd for tests/regression/Options

Timestamp:

Apr 11, 2018, 6:30:10 AM (7 years ago)

Author:

Frederik Heber <frederik.heber@…>

Branches:

Candidate_v1.6.1, ChemicalSpaceEvaluator, PythonUI_with_named_parameters, TremoloParser_IncreasedPrecision

Children:

fba720

Parents:

e7ad08

git-author:

Frederik Heber <frederik.heber@…> (09/06/17 14:04:23)

git-committer:

Frederik Heber <frederik.heber@…> (04/11/18 06:30:10)

Message:

TESTFIX: Changes to test scripts because now keyword arguments are used in store-session.

• TESTS: Removed XFAIL from failing tests again.
• FIX: Removed doubled disclaimer in python tests.

Location:

tests/regression/Options

Files:

• DryRun/post/session.py (modified) (1 diff)
• DryRun/testsuite-options-dryrun-storesession.at (modified) (1 diff)
• Session/post/complextest.py (modified) (1 diff)
• Session/post/test.py (modified) (1 diff)
• Session/testsuite-options-load-session-python.at (modified) (2 diffs)
• Session/testsuite-options-store-session-python.at (modified) (2 diffs)

tests/regression/Options/DryRun/post/session.py

@@ -2 +2 @@
 # ========================== Stored Session BEGIN ==========================
 pyMoleCuilder.CommandDryRun()
-pyMoleCuilder.WorldInput("hydrogen.xyz")
-pyMoleCuilder.AtomAdd("1", "0,0,0")
+pyMoleCuilder.WorldInput(input="hydrogen.xyz")
+pyMoleCuilder.AtomAdd(add_atom="1", domain_position="0,0,0")
 pyMoleCuilder.SelectionAllAtoms()
-pyMoleCuilder.AtomTranslate("5,5,5", "0")
+pyMoleCuilder.AtomTranslate(position="5,5,5", periodic="0")
 pyMoleCuilder.CommandNoDryRun()
 # =========================== Stored Session END ===========================

tests/regression/Options/DryRun/testsuite-options-dryrun-storesession.at

@@ -21 +21 @@
 AT_KEYWORDS([options dry-run no-dry-run store-session])
 AT_SKIP_IF([../../molecuilder --help store-session; if test $? -eq 5; then /bin/true; else /bin/false; fi])
-AT_XFAIL_IF([/bin/true])
 
 # sample session

tests/regression/Options/Session/post/complextest.py

@@ -1 +1 @@
 import pyMoleCuilder
 # ========================== Stored Session BEGIN ==========================
-pyMoleCuilder.CommandVerbose("2")
-pyMoleCuilder.ParserSetOutputFormats("mpqc tremolo")
-pyMoleCuilder.CommandSetRandomNumbersDistribution("uniform_int", "p=1;")
-pyMoleCuilder.WorldChangeBox("20,0,0,20,0,20")
-pyMoleCuilder.AtomAdd("1", "1,1,1")
-pyMoleCuilder.SelectionAtomById("0 0")
+pyMoleCuilder.CommandVerbose(verbose="2")
+pyMoleCuilder.ParserSetOutputFormats(set_output="mpqc tremolo")
+pyMoleCuilder.CommandSetRandomNumbersDistribution(set_random_number_distribution="uniform_int", random_number_distribution_parameters="p=1;")
+pyMoleCuilder.WorldChangeBox(change_box="20,0,0,20,0,20")
+pyMoleCuilder.AtomAdd(add_atom="1", domain_position="1,1,1")
+pyMoleCuilder.SelectionAtomById(select_atom_by_id="0 0")
 pyMoleCuilder.GraphSubgraphDissection()
 pyMoleCuilder.SelectionMoleculeOfAtom()
-pyMoleCuilder.FillRegularGrid("3 3 3", ".5,.5,.5", "1", "0", "0", "0", "0")
+pyMoleCuilder.FillRegularGrid(mesh_size="3 3 3", mesh_offset=".5,.5,.5", min_distance="1", tesselation_radius="0", random_atom_displacement="0", random_molecule_displacement="0", DoRotate="0")
 pyMoleCuilder.CommandVersion()
 # =========================== Stored Session END ===========================

tests/regression/Options/Session/post/test.py

@@ -1 +1 @@
 import pyMoleCuilder
 # ========================== Stored Session BEGIN ==========================
-pyMoleCuilder.CommandVerbose("2")
+pyMoleCuilder.CommandVerbose(verbose="2")
 pyMoleCuilder.CommandVersion()
 # =========================== Stored Session END ===========================

tests/regression/Options/Session/testsuite-options-load-session-python.at

@@ -22 +22 @@
 AT_TESTED([python diff grep])
 AT_SKIP_IF([../../molecuilder --help load-session; if test $? -eq 5; then /bin/true; else /bin/false; fi])
-AT_XFAIL_IF([/bin/true])
 
 # check that session is stored and can be executed when correctly prefixed
@@ -36 +35 @@
 AT_TESTED([python diff grep])
 AT_SKIP_IF([../../molecuilder --help load-session; if test $? -eq 5; then /bin/true; else /bin/false; fi])
-AT_XFAIL_IF([/bin/true])
 
 # check that session is stored and can be executed when correctly prefixed

tests/regression/Options/Session/testsuite-options-store-session-python.at

@@ -22 +22 @@
 AT_TESTED([python diff grep])
 AT_SKIP_IF([../../molecuilder --help load-session; if test $? -eq 5; then /bin/true; else /bin/false; fi])
-AT_XFAIL_IF([/bin/true])
 
 # check that session is stored and can be executed when correctly prefixed
@@ -36 +35 @@
 AT_TESTED([python diff grep])
 AT_SKIP_IF([../../molecuilder --help load-session; if test $? -eq 5; then /bin/true; else /bin/false; fi])
-AT_XFAIL_IF([/bin/true])
 
 # check that session is stored and can be executed when correctly prefixed