source: tests/regression/Selection/Molecules/AllMolecules/testsuite-selection-unselect-all-molecules.at

Candidate_v1.7.1 stable v1.7.1
Last change on this file was d2be22, checked in by Frederik Heber <frederik.heber@…>, 2 months ago

Actions relying on BondGraph fail if not bond table is loaded.

  • this is to ensure to not stumble over missing optimal bond lengths from the table, like with StretchBondAction.
  • TESTFIX: All regression tests that use these actions need to load the bond-table now.
  • Property mode set to 100644
File size: 2.7 KB
RevLine 
[6253ed]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#
[c77ac8]18### 1. (un)select all molecules
19
20
21AT_SETUP([Unselection - All Molecules])
[e611dc]22AT_KEYWORDS([unselection molecule unselect-all-molecules])
[7c958e]23
[7db9bd]24regressionpath="${abs_top_srcdir}/tests/regression/Selection/Molecules/AllMolecules"
[7c958e]25srcfile=box.xyz
26testfile=test.xyz
27targetfile=empty.xyz
28AT_CHECK([cp -n ${regressionpath}/pre/$srcfile $testfile], 0)
[d2be22]29AT_CHECK([../../molecuilder -i $testfile --bond-table ${abs_top_srcdir}/data/bondtables/bondtable.dat -I --select-all-molecules --unselect-all-molecules -s $targetfile], 0, [stdout], [stderr])
[7c958e]30AT_CHECK([diff -I '.*Created by molecuilder.*' $targetfile ${regressionpath}/post/$targetfile], 0, [ignore], [ignore])
31
32AT_CLEANUP
33
34
35AT_SETUP([Unselection - All Molecules with Undo])
[e611dc]36AT_KEYWORDS([unselection molecule unselect-all-molecules undo])
[7c958e]37
[7db9bd]38regressionpath="${abs_top_srcdir}/tests/regression/Selection/Molecules/AllMolecules"
[c77ac8]39srcfile=box.xyz
[7c958e]40testfile=test.xyz
41targetfile=box.xyz
42AT_CHECK([cp -n ${regressionpath}/pre/$srcfile $testfile], 0)
[d2be22]43AT_CHECK([../../molecuilder -i $testfile --bond-table ${abs_top_srcdir}/data/bondtables/bondtable.dat -I --select-all-molecules --unselect-all-molecules --undo -s $targetfile], 0, [stdout], [stderr])
[7c958e]44AT_CHECK([diff -I '.*Created by molecuilder.*' $targetfile ${regressionpath}/post/$targetfile], 0, [ignore], [ignore])
45
46AT_CLEANUP
47
48
49AT_SETUP([Unselection - All Molecules with Redo])
[e611dc]50AT_KEYWORDS([unselection molecule unselect-all-molecules redo])
[7c958e]51
[7db9bd]52regressionpath="${abs_top_srcdir}/tests/regression/Selection/Molecules/AllMolecules"
[7c958e]53srcfile=box.xyz
54testfile=test.xyz
55targetfile=empty.xyz
56AT_CHECK([cp -n ${regressionpath}/pre/$srcfile $testfile], 0)
[d2be22]57AT_CHECK([../../molecuilder -i $testfile --bond-table ${abs_top_srcdir}/data/bondtables/bondtable.dat -I --select-all-molecules --unselect-all-molecules --undo --redo -s $targetfile], 0, [stdout], [stderr])
[7c958e]58AT_CHECK([diff -I '.*Created by molecuilder.*' $targetfile ${regressionpath}/post/$targetfile], 0, [ignore], [ignore])
59
[c77ac8]60AT_CLEANUP
Note: See TracBrowser for help on using the repository browser.