source: tests/GuiChecks/Parser/Tremolo/testsuite-parser-tremolo-load.at@ 72b467

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 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_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 TrajectoryDependenant_MaxOrder TremoloParser_IncreasedPrecision TremoloParser_MultipleTimesteps Ubuntu_1604_changes stable
Last change on this file since 72b467 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: 2.8 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### parsing tremolo
19
20
21AT_SETUP([Parser - loading tremolo file])
22AT_KEYWORDS([parser load tremolo])
23
24file=argon.data
25AT_CHECK([../../molecuilder --dry-run -i $file -o tremolo -l ${abs_top_srcdir}/tests/regression/Parser/Tremolo/pre/argon.data --no-dry-run --store-session session-parser-tremolo-load.py --session-type python], 0, [ignore], [ignore])
26AT_CHECK([grep -v "Command.*DryRun" session-parser-tremolo-load.py >session-parser-tremolo-load_new.py], 0, [ignore], [ignore])
27AT_CHECK([../../molecuilderguitest session-parser-tremolo-load_new.py], 0, [ignore], [ignore])
28AT_CHECK([diff -w -I '#.*' $file ${abs_top_srcdir}/tests/regression/Parser/Tremolo/post/argon.data], 0, [ignore], [ignore])
29
30AT_CLEANUP
31
32
33AT_SETUP([Parser - loading tremolo file with Undo])
34AT_KEYWORDS([parser load tremolo undo])
35
36file=argon.data
37AT_CHECK([../../molecuilder --dry-run -i $file -o tremolo -l ${abs_top_srcdir}/tests/regression/Parser/Tremolo/pre/argon.data --undo --no-dry-run --store-session session-parser-tremolo-load.py --session-type python], 0, [ignore], [ignore])
38AT_CHECK([grep -v "Command.*DryRun" session-parser-tremolo-load.py >session-parser-tremolo-load_new.py], 0, [ignore], [ignore])
39AT_CHECK([../../molecuilderguitest session-parser-tremolo-load_new.py], 0, [ignore], [ignore])
40AT_CHECK([diff -w -I '#.*' $file ${abs_top_srcdir}/tests/regression/Parser/Tremolo/post/empty.data], 0, [ignore], [ignore])
41
42AT_CLEANUP
43
44
45AT_SETUP([Parser - loading tremolo file with Redo])
46AT_KEYWORDS([parser load tremolo redo])
47
48file=argon.data
49AT_CHECK([../../molecuilder --dry-run -i $file -o tremolo -l ${abs_top_srcdir}/tests/regression/Parser/Tremolo/pre/argon.data --undo --redo --no-dry-run --store-session session-parser-tremolo-load.py --session-type python], 0, [ignore], [ignore])
50AT_CHECK([grep -v "Command.*DryRun" session-parser-tremolo-load.py >session-parser-tremolo-load_new.py], 0, [ignore], [ignore])
51AT_CHECK([../../molecuilderguitest session-parser-tremolo-load_new.py], 0, [ignore], [ignore])
52AT_CHECK([diff -w -I '#.*' $file ${abs_top_srcdir}/tests/regression/Parser/Tremolo/post/argon.data], 0, [ignore], [ignore])
53
54AT_CLEANUP
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