source: tests/regression/Parser/Tremolo/testsuite-parser-tremolo-load-multiple-timesteps.at@ 220d2c

Action_Thermostats Adding_Graph_to_ChangeBondActions Adding_MD_integration_tests Adding_StructOpt_integration_tests AutomationFragmentation_failures Candidate_v1.6.1 ChemicalSpaceEvaluator Enhanced_StructuralOptimization Enhanced_StructuralOptimization_continued Example_ManyWaysToTranslateAtom Exclude_Hydrogens_annealWithBondGraph Fix_Verbose_Codepatterns ForceAnnealing_with_BondGraph ForceAnnealing_with_BondGraph_continued ForceAnnealing_with_BondGraph_continued_betteresults ForceAnnealing_with_BondGraph_contraction-expansion Gui_displays_atomic_force_velocity JobMarket_RobustOnKillsSegFaults JobMarket_StableWorkerPool PythonUI_with_named_parameters Recreated_GuiChecks StoppableMakroAction TremoloParser_IncreasedPrecision TremoloParser_MultipleTimesteps
Last change on this file since 220d2c was 220d2c, checked in by Frederik Heber <frederik.heber@…>, 8 years ago

TremoloParser::load() can deal with multiple time steps.

  • TESTS: Added regression test case.
  • ATOMDATA needs to be the same. Check by regression test case.
  • TESTS: set to XFAIL for the moment due to missing save() implementation for multiple time steps.
  • Property mode set to 100644
File size: 2.7 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### parsing tremolo
19
20
21AT_SETUP([Parser - loading tremolo file with multiple timesteps])
22AT_KEYWORDS([parser load tremolo timesteps])
23# ::save() does not yet support multiple time steps
24AT_XFAIL_IF([/bin/true])
25
26file=water_multipletimesteps.data
27AT_CHECK([../../molecuilder -i $file -o tremolo -l ${abs_top_srcdir}/tests/regression/Parser/Tremolo/pre/$file], 0, [ignore], [ignore])
28AT_CHECK([diff -w -I '#.*' $file ${abs_top_srcdir}/tests/regression/Parser/Tremolo/post/$file], 0, [ignore], [ignore])
29
30AT_CLEANUP
31
32
33AT_SETUP([Parser - loading tremolo file with multiple timesteps with Undo])
34AT_KEYWORDS([parser load tremolo timesteps undo])
35# with undo we don't notice missing save() implementation
36AT_XFAIL_IF([/bin/false])
37
38file=water_multipletimesteps.data
39AT_CHECK([../../molecuilder -i $file -o tremolo -l ${abs_top_srcdir}/tests/regression/Parser/Tremolo/pre/$file --undo], 0, [ignore], [ignore])
40AT_CHECK([diff -w -I '#.*' $file ${abs_top_srcdir}/tests/regression/Parser/Tremolo/post/empty.data], 0, [ignore], [ignore])
41
42AT_CLEANUP
43
44
45AT_SETUP([Parser - loading tremolo file with multiple timesteps with Redo])
46AT_KEYWORDS([parser load tremolo redo])
47# ::save() does not yet support multiple time steps
48AT_XFAIL_IF([/bin/true])
49
50file=water_multipletimesteps.data
51AT_CHECK([../../molecuilder -i $file -o tremolo -l ${abs_top_srcdir}/tests/regression/Parser/Tremolo/pre/$file --undo --redo], 0, [ignore], [ignore])
52AT_CHECK([diff -w -I '#.*' $file ${abs_top_srcdir}/tests/regression/Parser/Tremolo/post/$file], 0, [ignore], [ignore])
53
54AT_CLEANUP
55
56AT_SETUP([Parser - loading tremolo file with multiple timesteps fail])
57AT_KEYWORDS([parser load tremolo timesteps])
58
59file=water_multipletimesteps_fail.data
60AT_CHECK([../../molecuilder -i $file -o tremolo -l ${abs_top_srcdir}/tests/regression/Parser/Tremolo/pre/$file], 0, [ignore], [ignore])
61AT_CHECK([diff -w -I '#.*' $file ${abs_top_srcdir}/tests/regression/Parser/Tremolo/post/$file], 0, [ignore], [ignore])
62
63AT_CLEANUP
64
65
Note: See TracBrowser for help on using the repository browser.