source: tests/regression/Geometry/InputToVector/testsuite-geometry-input-to-vector.at@ 2eded3e

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 GeometryObjects 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 2eded3e was 467b2b, checked in by Frederik Heber <frederik.heber@…>, 8 years ago

Added regression test for all four geometry Actions and common Geometry issues.

  • so far, the tests are set to XFAIL as we do not yet recognize the geometry object names.
  • Property mode set to 100644
File size: 2.5 KB
Line 
1#
2# MoleCuilder - creates and alters molecular systems
3# Copyright (C) 2017 Frederik Heber
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### input to vector
19
20AT_SETUP([Geometry - input to vector])
21AT_KEYWORDS([geometry input-to-vector])
22AT_XFAIL_IF([/bin/true])
23file=test.xyz
24AT_CHECK([cp -f ${abs_top_srcdir}/tests/regression/Geometry/InputToVector/pre/$file $file], 0, [ignore], [ignore])
25AT_CHECK([chmod +w $file], 0, [ignore], [ignore])
26AT_CHECK([../../molecuilder -i $file -v 5 \
27 --input-to-vector "testvector" --coordinates "1,0,0" \
28 --select-atom-by-element C --translate-atoms --position "testvector"], 0, [ignore], [ignore])
29AT_CHECK([diff -I '.*reated.*' $file ${abs_top_srcdir}/tests/regression/Geometry/InputToVector/post/$file], 0, [ignore], [ignore])
30AT_CLEANUP
31
32AT_SETUP([Geometry - input to vector Undo])
33AT_KEYWORDS([geometry input-to-vector undo])
34AT_XFAIL_IF([/bin/true])
35file=test.xyz
36AT_CHECK([cp -f ${abs_top_srcdir}/tests/regression/Geometry/InputToVector/pre/$file $file], 0, [ignore], [ignore])
37AT_CHECK([chmod +w $file], 0, [ignore], [ignore])
38AT_CHECK([../../molecuilder -i $file \
39 --input-to-vector "testvector" --coordinates "1,0,0" --undo \
40 --select-atom-by-element C --translate-atoms --position "testvector"], 5, [ignore], [ignore])
41AT_CLEANUP
42
43AT_SETUP([Geometry - input to vector Redo])
44AT_KEYWORDS([geometry input-to-vector undo redo])
45AT_XFAIL_IF([/bin/true])
46file=test.xyz
47AT_CHECK([cp -f ${abs_top_srcdir}/tests/regression/Geometry/InputToVector/pre/$file $file], 0, [ignore], [ignore])
48AT_CHECK([chmod +w $file], 0, [ignore], [ignore])
49AT_CHECK([../../molecuilder -i $file \
50 --input-to-vector "testvector" --coordinates "1,0,0" --undo --redo \
51 --select-atom-by-element C --translate-atoms --position "testvector"], 0, [ignore], [ignore])
52AT_CHECK([diff -I '.*reated.*' $file ${abs_top_srcdir}/tests/regression/Geometry/InputToVector/post/$file], 0, [ignore], [ignore])
53AT_CLEANUP
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