source: tests/GuiChecks/Domain/SetBoundaryConditions/testsuite-domain-set-boundary-conditions.at@ eaef9b

Action_Thermostats Add_AtomRandomPerturbation Add_FitFragmentPartialChargesAction Add_RotateAroundBondAction Add_SelectAtomByNameAction Adding_Graph_to_ChangeBondActions Adding_MD_integration_tests Adding_StructOpt_integration_tests Automaking_mpqc_open AutomationFragmentation_failures Candidate_v1.5.4 Candidate_v1.6.0 Candidate_v1.6.1 Candidate_v1.7.0 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_ChargeSampling_PBC Fix_ChronosMutex Fix_FitPartialCharges Fix_FitPotential_needs_atomicnumbers Fix_ForceAnnealing Fix_IndependentFragmentGrids Fix_ParseParticles Fix_ParseParticles_split_forward_backward_Actions 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_IndividualZeroInstances IndependentFragmentGrids_IntegrationTest IndependentFragmentGrids_Sole_NN_Calculation 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 TrajectoryDependenant_MaxOrder TremoloParser_IncreasedPrecision TremoloParser_MultipleTimesteps Ubuntu_1604_changes stable
Last change on this file since eaef9b was dd6c07, checked in by Frederik Heber <heber@…>, 10 years ago

Added all new guichecks regression tests generated from createGuiChecks.sh script.
  • Property mode set to 100644
File size: 6.9 KB
Line 
1#
2# MoleCuilder - creates and alters molecular systems
3# Copyright (C) 2008-2012 University of Bonn
4#
5# This program is free software: you can redistribute it and/or modify
6# it under the terms of the GNU General Public License as published by
7# the Free Software Foundation, either version 3 of the License, or
8# (at your option) any later version.
9#
10# This program is distributed in the hope that it will be useful,
11# but WITHOUT ANY WARRANTY; without even the implied warranty of
12# MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the
13# GNU General Public License for more details.
14#
15# You should have received a copy of the GNU General Public License
16# along with this program. If not, see <http://www.gnu.org/licenses/>.
17#
18### set boundary conditions
19
20AT_SETUP([Domain - set boundary conditions])
21AT_KEYWORDS([domain set-boundary-conditions])
22
23BC="Wrap Wrap Wrap"
24AT_CHECK([../../molecuilder --dry-run -B "5,0,5,0,0,5" --set-boundary-conditions $BC --no-dry-run --store-session session-domain-set-boundary-conditions.py --session-type python], 0, [stdout], [stderr])
25AT_CHECK([grep -v "Command.*DryRun" session-domain-set-boundary-conditions.py >session-domain-set-boundary-conditions_new.py], 0, [ignore], [ignore])
26AT_CHECK([../../molecuilderguitest session-domain-set-boundary-conditions_new.py], 0, [stdout], [stderr])
27BC="Bounce Bounce Bounce"
28AT_CHECK([../../molecuilder --dry-run -B "5,0,5,0,0,5" --set-boundary-conditions $BC --no-dry-run --store-session session-domain-set-boundary-conditions.py --session-type python], 0, [stdout], [stderr])
29AT_CHECK([grep -v "Command.*DryRun" session-domain-set-boundary-conditions.py >session-domain-set-boundary-conditions_new.py], 0, [ignore], [ignore])
30AT_CHECK([../../molecuilderguitest session-domain-set-boundary-conditions_new.py], 0, [stdout], [stderr])
31BC="Ignore Ignore Ignore"
32AT_CHECK([../../molecuilder --dry-run -B "5,0,5,0,0,5" --set-boundary-conditions $BC --no-dry-run --store-session session-domain-set-boundary-conditions.py --session-type python], 0, [stdout], [stderr])
33AT_CHECK([grep -v "Command.*DryRun" session-domain-set-boundary-conditions.py >session-domain-set-boundary-conditions_new.py], 0, [ignore], [ignore])
34AT_CHECK([../../molecuilderguitest session-domain-set-boundary-conditions_new.py], 0, [stdout], [stderr])
35BC="Wrap Bounce Ignore"
36AT_CHECK([../../molecuilder --dry-run -B "5,0,5,0,0,5" --set-boundary-conditions $BC --no-dry-run --store-session session-domain-set-boundary-conditions.py --session-type python], 0, [stdout], [stderr])
37AT_CHECK([grep -v "Command.*DryRun" session-domain-set-boundary-conditions.py >session-domain-set-boundary-conditions_new.py], 0, [ignore], [ignore])
38AT_CHECK([../../molecuilderguitest session-domain-set-boundary-conditions_new.py], 0, [stdout], [stderr])
39
40AT_CLEANUP
41
42
43AT_SETUP([Domain - set boundary conditions with Undo])
44AT_KEYWORDS([domain set-boundary-conditions undo])
45
46Check_BC="Wrap Wrap Wrap"
47BC="Wrap Wrap Wrap"
48AT_CHECK([../../molecuilder --dry-run -B "5,0,5,0,0,5" --set-boundary-conditions $BC --undo --no-dry-run --store-session session-domain-set-boundary-conditions.py --session-type python], 0, [stdout], [stderr])
49AT_CHECK([grep -v "Command.*DryRun" session-domain-set-boundary-conditions.py >session-domain-set-boundary-conditions_new.py], 0, [ignore], [ignore])
50AT_CHECK([../../molecuilderguitest session-domain-set-boundary-conditions_new.py], 0, [stdout], [stderr])
51BC="Bounce Bounce Bounce"
52AT_CHECK([../../molecuilder --dry-run -B "5,0,5,0,0,5" --set-boundary-conditions $BC --undo --no-dry-run --store-session session-domain-set-boundary-conditions.py --session-type python], 0, [stdout], [stderr])
53AT_CHECK([grep -v "Command.*DryRun" session-domain-set-boundary-conditions.py >session-domain-set-boundary-conditions_new.py], 0, [ignore], [ignore])
54AT_CHECK([../../molecuilderguitest session-domain-set-boundary-conditions_new.py], 0, [stdout], [stderr])
55BC="Ignore Ignore Ignore"
56AT_CHECK([../../molecuilder --dry-run -B "5,0,5,0,0,5" --set-boundary-conditions $BC --undo --no-dry-run --store-session session-domain-set-boundary-conditions.py --session-type python], 0, [stdout], [stderr])
57AT_CHECK([grep -v "Command.*DryRun" session-domain-set-boundary-conditions.py >session-domain-set-boundary-conditions_new.py], 0, [ignore], [ignore])
58AT_CHECK([../../molecuilderguitest session-domain-set-boundary-conditions_new.py], 0, [stdout], [stderr])
59BC="Wrap Bounce Ignore"
60AT_CHECK([../../molecuilder --dry-run -B "5,0,5,0,0,5" --set-boundary-conditions $BC --undo --no-dry-run --store-session session-domain-set-boundary-conditions.py --session-type python], 0, [stdout], [stderr])
61AT_CHECK([grep -v "Command.*DryRun" session-domain-set-boundary-conditions.py >session-domain-set-boundary-conditions_new.py], 0, [ignore], [ignore])
62AT_CHECK([../../molecuilderguitest session-domain-set-boundary-conditions_new.py], 0, [stdout], [stderr])
63
64AT_CLEANUP
65
66
67AT_SETUP([Domain - set boundary conditions with Redo])
68AT_KEYWORDS([domain set-boundary-conditions redo])
69
70BC="Wrap Wrap Wrap"
71AT_CHECK([../../molecuilder --dry-run -B "5,0,5,0,0,5" --set-boundary-conditions $BC --undo --redo --no-dry-run --store-session session-domain-set-boundary-conditions.py --session-type python], 0, [stdout], [stderr])
72AT_CHECK([grep -v "Command.*DryRun" session-domain-set-boundary-conditions.py >session-domain-set-boundary-conditions_new.py], 0, [ignore], [ignore])
73AT_CHECK([../../molecuilderguitest session-domain-set-boundary-conditions_new.py], 0, [stdout], [stderr])
74BC="Bounce Bounce Bounce"
75AT_CHECK([../../molecuilder --dry-run -B "5,0,5,0,0,5" --set-boundary-conditions $BC --undo --redo --no-dry-run --store-session session-domain-set-boundary-conditions.py --session-type python], 0, [stdout], [stderr])
76AT_CHECK([grep -v "Command.*DryRun" session-domain-set-boundary-conditions.py >session-domain-set-boundary-conditions_new.py], 0, [ignore], [ignore])
77AT_CHECK([../../molecuilderguitest session-domain-set-boundary-conditions_new.py], 0, [stdout], [stderr])
78BC="Ignore Ignore Ignore"
79AT_CHECK([../../molecuilder --dry-run -B "5,0,5,0,0,5" --set-boundary-conditions $BC --undo --redo --no-dry-run --store-session session-domain-set-boundary-conditions.py --session-type python], 0, [stdout], [stderr])
80AT_CHECK([grep -v "Command.*DryRun" session-domain-set-boundary-conditions.py >session-domain-set-boundary-conditions_new.py], 0, [ignore], [ignore])
81AT_CHECK([../../molecuilderguitest session-domain-set-boundary-conditions_new.py], 0, [stdout], [stderr])
82BC="Wrap Bounce Ignore"
83AT_CHECK([../../molecuilder --dry-run -B "5,0,5,0,0,5" --set-boundary-conditions $BC --undo --redo --no-dry-run --store-session session-domain-set-boundary-conditions.py --session-type python], 0, [stdout], [stderr])
84AT_CHECK([grep -v "Command.*DryRun" session-domain-set-boundary-conditions.py >session-domain-set-boundary-conditions_new.py], 0, [ignore], [ignore])
85AT_CHECK([../../molecuilderguitest session-domain-set-boundary-conditions_new.py], 0, [stdout], [stderr])
86
87AT_CLEANUP
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