source: tests/GuiChecks/Molecules/SaveSelectedMolecules/testsuite-molecules-save-selected-molecules.at

Candidate_v1.6.1
Last change on this file was dd6c07, checked in by Frederik Heber <heber@…>, 10 years ago

Added all new guichecks regression tests generated from createGuiChecks.sh script.

  • Property mode set to 100644
File size: 1.7 KB
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1#
2# MoleCuilder - creates and alters molecular systems
3# Copyright (C) 2008-2012 University of Bonn
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### Storing temperature
19
20AT_SETUP([Molecules - Save selected molecules])
21AT_KEYWORDS([molecules save selection save-selected-molecules])
22
23file=test.xyz
24AT_CHECK([/bin/cp -f ${abs_top_srcdir}/tests/regression/Molecules/SaveSelectedMolecules/pre/test.xyz $file], 0)
25AT_CHECK([../../molecuilder --dry-run -i $file -I --select-molecule-by-order 1 -s testsave.xyz --no-dry-run --store-session session-molecules-save-selected-molecules.py --session-type python], 0, [stdout], [stderr])
26AT_CHECK([grep -v "Command.*DryRun" session-molecules-save-selected-molecules.py >session-molecules-save-selected-molecules_new.py], 0, [ignore], [ignore])
27AT_CHECK([../../molecuilderguitest session-molecules-save-selected-molecules_new.py], 0, [stdout], [stderr])
28AT_CHECK([file=testsave.xyz; diff -I '.*Created by.*' $file ${abs_top_srcdir}/tests/regression/Molecules/SaveSelectedMolecules/post/testsave.xyz], 0, [ignore], [ignore])
29
30AT_CLEANUP
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