Changeset 4d1aef for tests/regression/WorldTime/SetWorldTime

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.

File:

• tests/regression/WorldTime/SetWorldTime/testsuite-worldtime-set-world-time.at (moved) (moved from tests/regression/Options/SetWorldTime/testsuite-options-set-world-time.at ) (4 diffs)

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])