source: tests/regression/Geometry/InputToVector/testsuite-geometry-input-to-vector.at@ 3f6aac

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 3f6aac was f79d65, checked in by Frederik Heber <frederik.heber@…>, 8 years ago

Vector(s) are now stored as strings in Querys intermediately.

  • they get evaluated first after being stored in a Parameter/Value on request via get().
  • Needed to change all Vector(s)..Query's of all UIs and also the general base classes inside Dialog.
  • QtQueryList need to be specialized in order to allow a QtQueryList<Vector> to actually store a vector of strings.
  • we may use setAsString() in order to set the Parameter thankfully.
  • TESTS: All regression tests on Geometry Actions are now working. Removed XFAIL from Options/Session test that use Python, i.e. the ones we marked four commits ago.
  • Property mode set to 100644
File size: 2.4 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])
22file=test.xyz
23AT_CHECK([cp -f ${abs_top_srcdir}/tests/regression/Geometry/InputToVector/pre/$file $file], 0, [ignore], [ignore])
24AT_CHECK([chmod +w $file], 0, [ignore], [ignore])
25AT_CHECK([../../molecuilder -i $file -v 5 \
26 --input-to-vector "testvector" --coordinates "1,0,0" \
27 --select-atom-by-element C --translate-atoms --position "testvector"], 0, [ignore], [ignore])
28AT_CHECK([diff -I '.*reated.*' $file ${abs_top_srcdir}/tests/regression/Geometry/InputToVector/post/$file], 0, [ignore], [ignore])
29AT_CLEANUP
30
31AT_SETUP([Geometry - input to vector Undo])
32AT_KEYWORDS([geometry input-to-vector undo])
33file=test.xyz
34AT_CHECK([cp -f ${abs_top_srcdir}/tests/regression/Geometry/InputToVector/pre/$file $file], 0, [ignore], [ignore])
35AT_CHECK([chmod +w $file], 0, [ignore], [ignore])
36AT_CHECK([../../molecuilder -i $file \
37 --input-to-vector "testvector" --coordinates "1,0,0" --undo \
38 --select-atom-by-element C --translate-atoms --position "testvector"], 5, [ignore], [ignore])
39AT_CLEANUP
40
41AT_SETUP([Geometry - input to vector Redo])
42AT_KEYWORDS([geometry input-to-vector undo redo])
43file=test.xyz
44AT_CHECK([cp -f ${abs_top_srcdir}/tests/regression/Geometry/InputToVector/pre/$file $file], 0, [ignore], [ignore])
45AT_CHECK([chmod +w $file], 0, [ignore], [ignore])
46AT_CHECK([../../molecuilder -i $file \
47 --input-to-vector "testvector" --coordinates "1,0,0" --undo --redo \
48 --select-atom-by-element C --translate-atoms --position "testvector"], 0, [ignore], [ignore])
49AT_CHECK([diff -I '.*reated.*' $file ${abs_top_srcdir}/tests/regression/Geometry/InputToVector/post/$file], 0, [ignore], [ignore])
50AT_CLEANUP
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