Changeset 72e40d0 for tests/regression/WorldTime/SetWorldTime

Timestamp:

Oct 20, 2016, 8:54:48 PM (8 years ago)

Author:

Frederik Heber <heber@…>

Branches:

Action_Thermostats, Add_AtomRandomPerturbation, Add_RotateAroundBondAction, Add_SelectAtomByNameAction, Adding_Graph_to_ChangeBondActions, Adding_MD_integration_tests, Adding_StructOpt_integration_tests, Automaking_mpqc_open, AutomationFragmentation_failures, Candidate_v1.6.0, Candidate_v1.6.1, ChangeBugEmailaddress, ChangingTestPorts, ChemicalSpaceEvaluator, Combining_Subpackages, Debian_Package_split, Debian_package_split_molecuildergui_only, Disabling_MemDebug, Docu_Python_wait, EmpiricalPotential_contain_HomologyGraph, EmpiricalPotential_contain_HomologyGraph_documentation, Enable_parallel_make_install, Enhance_userguide, Enhanced_StructuralOptimization, Enhanced_StructuralOptimization_continued, Example_ManyWaysToTranslateAtom, Exclude_Hydrogens_annealWithBondGraph, FitPartialCharges_GlobalError, Fix_ChronosMutex, Fix_ForceAnnealing, Fix_ParseParticles, Fix_StatusMsg, Fix_StepWorldTime_single_argument, Fix_Verbose_Codepatterns, ForceAnnealing_goodresults, ForceAnnealing_oldresults, ForceAnnealing_tocheck, ForceAnnealing_with_BondGraph, ForceAnnealing_with_BondGraph_continued, ForceAnnealing_with_BondGraph_continued_betteresults, ForceAnnealing_with_BondGraph_contraction-expansion, GeometryObjects, Gui_displays_atomic_force_velocity, IndependentFragmentGrids_IntegrationTest, JobMarket_RobustOnKillsSegFaults, JobMarket_StableWorkerPool, JobMarket_unresolvable_hostname_fix, ODR_violation_mpqc_open, PartialCharges_OrthogonalSummation, PythonUI_with_named_parameters, QtGui_reactivate_TimeChanged_changes, Recreated_GuiChecks, RotateToPrincipalAxisSystem_UndoRedo, StoppableMakroAction, Subpackage_CodePatterns, Subpackage_JobMarket, Subpackage_LinearAlgebra, Subpackage_levmar, Subpackage_mpqc_open, Subpackage_vmg, ThirdParty_MPQC_rebuilt_buildsystem, TremoloParser_IncreasedPrecision, TremoloParser_MultipleTimesteps, Ubuntu_1604_changes, stable

Children:

d24750

Parents:

a1c8fa

git-author:

Frederik Heber <heber@…> (09/27/16 11:30:09)

git-committer:

Frederik Heber <heber@…> (10/20/16 20:54:48)

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])