source: tests/GuiChecks/Molecules/Translation-Periodic/testsuite-molecules-translation-periodic.at@ 917c46

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Last change on this file since 917c46 was b9e47e, checked in by Frederik Heber <heber@…>, 9 years ago

TESTFIX: Marked molecule translation guicheck tests as XFAIL.

  • so far, we cannot use a MakroAction as a python function except if not arguments are required. Hence, for the moment we mark it as XFAIL.
  • The problem is with the boost::python::def function. We need to fill its arguments during compile-time but that would require some weird preprocessor magic going through all Actions contained in the MakroAction's sequence.
  • Property mode set to 100644
File size: 3.6 KB
Line 
1#
2# MoleCuilder - creates and alters molecular systems
3# Copyright (C) 2014 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### Translation-Periodic
19
20AT_SETUP([Molecules - Translation with periodic boundaries])
21AT_KEYWORDS([molecules translate-molecules])
22AT_XFAIL_IF([/bin/true])
23
24file=test.conf
25AT_CHECK([/bin/cp -f ${abs_top_srcdir}/tests/regression/Molecules/Translation-Periodic/pre/test.conf $file], 0)
26AT_CHECK([chmod u+w $file], 0)
27AT_CHECK([../../molecuilder --dry-run -i $file --select-molecule-by-id 0 --translate-molecules --position "-8., -8., -8." --periodic 1 --no-dry-run --store-session session-molecules-translation-periodic.py --session-type python], 0, [stdout], [stderr])
28AT_CHECK([grep -v "Command.*DryRun" session-molecules-translation-periodic.py >session-molecules-translation-periodic_new.py], 0, [ignore], [ignore])
29AT_CHECK([../../molecuilderguitest session-molecules-translation-periodic_new.py], 0, [stdout], [stderr])
30AT_CHECK([diff $file ${abs_top_srcdir}/tests/regression/Molecules/Translation-Periodic/post/test.conf], 0, [ignore], [ignore])
31
32AT_CLEANUP
33
34
35AT_SETUP([Molecules - Translation with periodic boundaries with Undo])
36AT_KEYWORDS([molecules translate-molecules undo])
37AT_XFAIL_IF([/bin/true])
38
39file=test.conf
40AT_CHECK([/bin/cp -f ${abs_top_srcdir}/tests/regression/Molecules/Translation-Periodic/pre/test.conf $file], 0)
41AT_CHECK([chmod u+w $file], 0)
42AT_CHECK([../../molecuilder --dry-run -i $file --select-molecule-by-id 0 --translate-molecules --position "-8., -8., -8." --periodic 1 --undo --no-dry-run --store-session session-molecules-translation-periodic.py --session-type python], 0, [stdout], [stderr])
43AT_CHECK([grep -v "Command.*DryRun" session-molecules-translation-periodic.py >session-molecules-translation-periodic_new.py], 0, [ignore], [ignore])
44AT_CHECK([../../molecuilderguitest session-molecules-translation-periodic_new.py], 0, [stdout], [stderr])
45AT_CHECK([diff $file ${abs_top_srcdir}/tests/regression/Molecules/Translation-Periodic/post/test-undo.conf], 0, [ignore], [ignore])
46
47AT_CLEANUP
48
49
50AT_SETUP([Molecules - Translation with periodic boundaries with Redo])
51AT_KEYWORDS([molecules translate-molecules redo])
52AT_XFAIL_IF([/bin/true])
53
54file=test.conf
55AT_CHECK([/bin/cp -f ${abs_top_srcdir}/tests/regression/Molecules/Translation-Periodic/pre/test.conf $file], 0)
56AT_CHECK([chmod u+w $file], 0)
57AT_CHECK([../../molecuilder --dry-run -i $file --select-molecule-by-id 0 --translate-molecules --position "-8., -8., -8." --periodic 1 --undo --redo --no-dry-run --store-session session-molecules-translation-periodic.py --session-type python], 0, [stdout], [stderr])
58AT_CHECK([grep -v "Command.*DryRun" session-molecules-translation-periodic.py >session-molecules-translation-periodic_new.py], 0, [ignore], [ignore])
59AT_CHECK([../../molecuilderguitest session-molecules-translation-periodic_new.py], 0, [stdout], [stderr])
60AT_CHECK([diff $file ${abs_top_srcdir}/tests/regression/Molecules/Translation-Periodic/post/test.conf], 0, [ignore], [ignore])
61
62AT_CLEANUP
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