source: tests/regression/Geometry/Remove/testsuite-geometry-remove.at@ 836972

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 836972 was 836972, checked in by Frederik Heber <frederik.heber@…>, 8 years ago

Added GeometryRemoveAction.

  • TESTS: Also added regression test.
  • Property mode set to 100644
File size: 2.8 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### remove
19
20AT_SETUP([Geometry - remove geometry])
21AT_KEYWORDS([geometry remove-geometry])
22file=test.xyz
23AT_CHECK([cp -f ${abs_top_srcdir}/tests/regression/Geometry/Remove/pre/$file $file], 0, [ignore], [ignore])
24AT_CHECK([chmod +w $file], 0, [ignore], [ignore])
25AT_CHECK([../../molecuilder -i $file -v 5 \
26 --select-atom-by-id 0 --position-to-vector "testvector" --unselect-all-atoms \
27 --remove-geometry "testvector" \
28 --select-atom-by-element C --translate-atoms --position "testvector"], 5, [ignore], [ignore])
29AT_CLEANUP
30
31AT_SETUP([Geometry - remove invalid geometry])
32AT_KEYWORDS([geometry remove-geometry])
33file=test.xyz
34AT_CHECK([cp -f ${abs_top_srcdir}/tests/regression/Geometry/Remove/pre/$file $file], 0, [ignore], [ignore])
35AT_CHECK([chmod +w $file], 0, [ignore], [ignore])
36AT_CHECK([../../molecuilder -i $file -v 5 \
37 --select-atom-by-id 0 --position-to-vector "testvector" --unselect-all-atoms \
38 --remove-geometry "zeroVector"], 5, [ignore], [ignore])
39AT_CLEANUP
40
41AT_SETUP([Geometry - remove geometry Undo])
42AT_KEYWORDS([geometry remove-geometry undo])
43file=test.xyz
44AT_CHECK([cp -f ${abs_top_srcdir}/tests/regression/Geometry/Remove/pre/$file $file], 0, [ignore], [ignore])
45AT_CHECK([chmod +w $file], 0, [ignore], [ignore])
46AT_CHECK([../../molecuilder -i $file -v 5 \
47 --select-atom-by-id 0 --position-to-vector "testvector" --unselect-all-atoms \
48 --remove-geometry "testvector" --undo \
49 --select-atom-by-element C --translate-atoms --position "testvector"], 0, [ignore], [ignore])
50AT_CHECK([diff -I '.*reated.*' $file ${abs_top_srcdir}/tests/regression/Geometry/Remove/post/$file], 0, [ignore], [ignore])
51AT_CLEANUP
52
53AT_SETUP([Geometry - remove geometry Redo])
54AT_KEYWORDS([geometry remove-geometry undo redo])
55file=test.xyz
56AT_CHECK([cp -f ${abs_top_srcdir}/tests/regression/Geometry/Remove/pre/$file $file], 0, [ignore], [ignore])
57AT_CHECK([chmod +w $file], 0, [ignore], [ignore])
58AT_CHECK([../../molecuilder -i $file -v 5 \
59 --remove-geometry "testvector" --undo --redo \
60 --select-atom-by-element C --translate-atoms --position "testvector"], 5, [ignore], [ignore])
61AT_CLEANUP
Note: See TracBrowser for help on using the repository browser.