source: tests/regression/Atoms/ChangeElement/testsuite-atoms-change-element.at@ 310445

Action_Thermostats Add_AtomRandomPerturbation Add_SelectAtomByNameAction Adding_Graph_to_ChangeBondActions Adding_MD_integration_tests Adding_StructOpt_integration_tests AutomationFragmentation_failures Candidate_v1.6.1 ChangeBugEmailaddress ChemicalSpaceEvaluator EmpiricalPotential_contain_HomologyGraph_documentation Enhance_userguide 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 QtGui_reactivate_TimeChanged_changes Recreated_GuiChecks StoppableMakroAction TremoloParser_IncreasedPrecision TremoloParser_MultipleTimesteps
Last change on this file since 310445 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: 2.2 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### change the element
19
20AT_SETUP([Atoms - Changing element])
21AT_KEYWORDS([atoms change-element])
22
23file=test.xyz
24AT_CHECK([/bin/cp -f ${abs_top_srcdir}/tests/regression/Atoms/ChangeElement/pre/test.xyz $file], 0)
25AT_CHECK([chmod u+w $file], 0)
26AT_CHECK([../../molecuilder -i $file --select-atom-by-id 0 -E 6 ], 0, [ignore], [ignore])
27AT_CHECK([diff -I '.*Created by molecuilder.*' $file ${abs_top_srcdir}/tests/regression/Atoms/ChangeElement/post/test.xyz], 0, [ignore], [ignore])
28
29AT_CLEANUP
30
31
32AT_SETUP([Atoms - Changing element with Undo])
33AT_KEYWORDS([atoms change-element undo])
34
35file=test.xyz
36AT_CHECK([/bin/cp -f ${abs_top_srcdir}/tests/regression/Atoms/ChangeElement/pre/test.xyz $file], 0)
37AT_CHECK([chmod u+w $file], 0)
38AT_CHECK([../../molecuilder -i $file --select-atom-by-id 0 -E 6 --undo], 0, [ignore], [ignore])
39AT_CHECK([diff -I '.*Created by molecuilder.*' $file ${abs_top_srcdir}/tests/regression/Atoms/ChangeElement/post/test-undo.xyz], 0, [ignore], [ignore])
40
41AT_CLEANUP
42
43
44AT_SETUP([Atoms - Changing element with Redo])
45AT_KEYWORDS([atoms change-element redo])
46
47file=test.xyz
48AT_CHECK([/bin/cp -f ${abs_top_srcdir}/tests/regression/Atoms/ChangeElement/pre/test.xyz $file], 0)
49AT_CHECK([chmod u+w $file], 0)
50AT_CHECK([../../molecuilder -i $file --select-atom-by-id 0 -E 6 --undo --redo], 0, [ignore], [ignore])
51AT_CHECK([diff -I '.*Created by molecuilder.*' $file ${abs_top_srcdir}/tests/regression/Atoms/ChangeElement/post/test.xyz], 0, [ignore], [ignore])
52
53AT_CLEANUP
Note: See TracBrowser for help on using the repository browser.