Changeset 4d1aef for tests

Timestamp:

Sep 30, 2016, 3:51:24 PM (9 years ago)

Author:

Frederik Heber <heber@…>

Branches:

Add_FitFragmentPartialChargesAction, Fix_ChargeSampling_PBC, Fix_FitPartialCharges, Fix_FitPotential_needs_atomicnumbers, Fix_ParseParticles_split_forward_backward_Actions

Children:

0efd21, 2a28cd

Parents:

49e803

git-author:

Frederik Heber <heber@…> (09/27/16 13:17:38)

git-committer:

Frederik Heber <heber@…> (09/30/16 15:51:24)

Message:

Added single action to step backward and forward through time.

• ForceAnnealingAction and VerletIntegrationAction now don't step any more.
• MolecularDynamicsAction and StructuralOptimizationAction use action to step on to next time step.
• TESTS: moved SetWorldTime regression test into own WorldTime sub folder.
• TESTS: added regression tests.

Location:

tests

Files:

• Python/AllActions/options.dat (modified) (1 diff)
• regression/Makefile.am (modified) (2 diffs)
• regression/Options/testsuite-options.at (modified) (1 diff)
• regression/WorldTime/SetWorldTime/testsuite-worldtime-set-world-time.at (moved) (moved from tests/regression/Options/SetWorldTime/testsuite-options-set-world-time.at ) (4 diffs)
• regression/WorldTime/StepWorldTime/testsuite-worldtime-step-world-time.at (added)
• regression/WorldTime/testsuite-worldtime.at (added)
• regression/testsuite.at (modified) (1 diff)

tests/Python/AllActions/options.dat

@@ -225 +225 @@
 skiplines       "2"
 start-step      "0"
+step-world-time "1"
 steps   "5"
 store-grids     "0"

tests/regression/Makefile.am

@@ -134 +134 @@
         $(srcdir)/Options/Session/testsuite-options-store-session-python.at \
         $(srcdir)/Options/SetDefaultName/testsuite-options-set-default-name.at \
-        $(srcdir)/Options/SetWorldTime/testsuite-options-set-world-time.at \
         $(srcdir)/Options/Verbosity/testsuite-options-verbosity.at \
         $(srcdir)/Options/Warranty/testsuite-options-warranty.at \
@@ -241 +240 @@
         $(srcdir)/Tesselation/Convex/testsuite-tesselation-convex-envelope.at \
         $(srcdir)/Tesselation/NonConvex/testsuite-tesselation-non-convex-envelope.at \
-        $(srcdir)/Tesselation/TriangleMatcher/testsuite-tesselation-trianglematcher.at
+        $(srcdir)/Tesselation/TriangleMatcher/testsuite-tesselation-trianglematcher.at \
+        $(srcdir)/WorldTime/testsuite-worldtime.at \
+        $(srcdir)/WorldTime/SetWorldTime/testsuite-worldtime-set-world-time.at \
+        $(srcdir)/WorldTime/StepWorldTime/testsuite-worldtime-step-world-time.at
 
 max_jobs = 4

tests/regression/Options/testsuite-options.at

@@ -40 +40 @@
 m4_include([Options/SetDefaultName/testsuite-options-set-default-name.at])
 
-# world time
-m4_include([Options/SetWorldTime/testsuite-options-set-world-time.at])
-
 # test that all desire parameters and count how many complain
 m4_include([Options/Empty/testsuite-options-empty-configs.at])

tests/regression/WorldTime/SetWorldTime/testsuite-worldtime-set-world-time.at

@@ -2 +2 @@
 #    MoleCuilder - creates and alters molecular systems
 #    Copyright (C) 2008-2012 University of Bonn
+#    Copyright (C) 2016 Frederik Heber
 #
 #    This program is free software: you can redistribute it and/or modify
@@ -16 +17 @@
 #    along with this program.  If not, see <http://www.gnu.org/licenses/>.
 #
-### molecule default name
+### set world time
 
-AT_SETUP([Standard Options - set world time])
-AT_KEYWORDS([options set-world-time])
+AT_SETUP([Worldtime - set])
+AT_KEYWORDS([worldtime set-world-time])
 
 AT_CHECK([../../molecuilder --set-world-time 10], 0, [stdout], [stderr])
@@ -27 +28 @@
 
 
-AT_SETUP([Standard Options - set world time with Undo])
-AT_KEYWORDS([options set-world-time undo])
+AT_SETUP([Worldtime - set with Undo])
+AT_KEYWORDS([worldtime set-world-time undo])
 
 AT_CHECK([../../molecuilder --set-world-time 10 --undo], 0, [stdout], [stderr])
@@ -36 +37 @@
 
 
-AT_SETUP([Standard Options - set world time with Redo])
-AT_KEYWORDS([options set-world-time redo])
+AT_SETUP([Worldtime - set with Redo])
+AT_KEYWORDS([worldtime set-world-time undo redo])
 
 AT_CHECK([../../molecuilder --set-world-time 10 --undo --redo], 0, [stdout], [stderr])

tests/regression/testsuite.at

@@ -36 +36 @@
 m4_include(Options/testsuite-options.at)
 
+m4_include(WorldTime/testsuite-worldtime.at)
+
 m4_include(Parser/testsuite-parser.at)