source: tests/regression/Domain/BoundInBox/testsuite-domain-bound-in-box.at@ 8f2f4e

Action_Thermostats Add_SelectAtomByNameAction Adding_Graph_to_ChangeBondActions Adding_MD_integration_tests Adding_StructOpt_integration_tests AutomationFragmentation_failures Candidate_v1.6.1 ChemicalSpaceEvaluator EmpiricalPotential_contain_HomologyGraph_documentation Enhanced_StructuralOptimization Enhanced_StructuralOptimization_continued Example_ManyWaysToTranslateAtom Exclude_Hydrogens_annealWithBondGraph Fix_Verbose_Codepatterns ForceAnnealing_oldresults ForceAnnealing_with_BondGraph ForceAnnealing_with_BondGraph_continued ForceAnnealing_with_BondGraph_continued_betteresults ForceAnnealing_with_BondGraph_contraction-expansion Gui_displays_atomic_force_velocity IndependentFragmentGrids_IntegrationTest JobMarket_RobustOnKillsSegFaults JobMarket_StableWorkerPool PythonUI_with_named_parameters Recreated_GuiChecks StoppableMakroAction TremoloParser_IncreasedPrecision TremoloParser_MultipleTimesteps
Last change on this file since 8f2f4e was 0d97b4, checked in by Frederik Heber <heber@…>, 12 years ago

FIX: Disclaimer appeared twice in each testsuite. Second time removed.
  • Property mode set to 100644
File size: 2.1 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### bound atoms in defined domain
19
20AT_SETUP([Domain - bounding in domain])
21AT_KEYWORDS([domain bound-in-box])
22
23file=test.conf
24AT_CHECK([/bin/cp -f ${abs_top_srcdir}/tests/regression/Domain/BoundInBox/pre/test.conf $file], 0)
25AT_CHECK([chmod u+w $file], 0)
26AT_CHECK([../../molecuilder -i $file --bound-in-box], 0, [stdout], [stderr])
27AT_CHECK([diff $file ${abs_top_srcdir}/tests/regression/Domain/BoundInBox/post/test.conf], 0, [stdout], [stderr])
28
29AT_CLEANUP
30
31
32AT_SETUP([Domain - bounding in domain with Undo])
33AT_KEYWORDS([domain bound-in-box undo])
34
35file=test.conf
36AT_CHECK([/bin/cp -f ${abs_top_srcdir}/tests/regression/Domain/BoundInBox/pre/test.conf $file], 0)
37AT_CHECK([chmod u+w $file], 0)
38AT_CHECK([../../molecuilder -i $file --bound-in-box --undo], 0, [stdout], [stderr])
39AT_CHECK([diff $file ${abs_top_srcdir}/tests/regression/Domain/BoundInBox/post/test-undo.conf], 0, [stdout], [stderr])
40
41AT_CLEANUP
42
43
44AT_SETUP([Domain - bounding in domain with Redo])
45AT_KEYWORDS([domain bound-in-box redo])
46
47file=test.conf
48AT_CHECK([/bin/cp -f ${abs_top_srcdir}/tests/regression/Domain/BoundInBox/pre/test.conf $file], 0)
49AT_CHECK([chmod u+w $file], 0)
50AT_CHECK([../../molecuilder -i $file --bound-in-box --undo --redo], 0, [stdout], [stderr])
51AT_CHECK([diff $file ${abs_top_srcdir}/tests/regression/Domain/BoundInBox/post/test.conf], 0, [stdout], [stderr])
52
53AT_CLEANUP
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