source: tests/GuiChecks/Filling/RegularGrid/testsuite-fill-regular-grid-with-surface.at@ b5bdb9

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Last change on this file since b5bdb9 was d50b91, checked in by Frederik Heber <heber@…>, 8 years ago

Recreated all GuiChecks.
  • Property mode set to 100644
File size: 5.5 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### fill regular grid with surface
19
20AT_SETUP([Filling - Fill regular grid with surface and no atoms])
21AT_KEYWORDS([filling fill-regular-grid add-empty-boundary])
22
23file=solved_double_sles.data
24AT_CHECK([/bin/cp -f ${abs_top_srcdir}/tests/regression/Filling/RegularGrid/pre/double_sles.data $file], 0)
25AT_CHECK([chmod u+w $file], 0)
26# check that specifying radius but selecting no atoms is wrong
27AT_CHECK([../../molecuilder --dry-run --parse-particle-parameters ${abs_top_srcdir}/tests/regression/Filling/RegularGrid/pre/sles.potentials -i $file -B "14.199,0,14.199,0,0,14.199" --load ${abs_top_srcdir}/tests/regression/Filling/RegularGrid/pre/water.data --select-molecule-by-order -1 --fill-regular-grid --mesh-size 5 5 5 --mesh-offset "0.5,0.5,0.5" --tesselation-radius 10 --min-distance .5 --no-dry-run --store-session session-fill-regular-grid-with-surface.py --session-type python], 0, [stdout], [stderr])
28AT_CHECK([grep -v "Command.*DryRun" session-fill-regular-grid-with-surface.py >session-fill-regular-grid-with-surface_new.py], 0, [ignore], [ignore])
29AT_CHECK([../../molecuilderguitest session-fill-regular-grid-with-surface_new.py], 5, [stdout], [stderr])
30
31AT_CLEANUP
32
33AT_SETUP([Filling - Fill regular grid with surface])
34AT_KEYWORDS([filling fill-regular-grid add-empty-boundary])
35
36file=solved_double_sles.data
37AT_CHECK([/bin/cp -f ${abs_top_srcdir}/tests/regression/Filling/RegularGrid/pre/double_sles.data $file], 0)
38AT_CHECK([chmod u+w $file], 0)
39AT_CHECK([../../molecuilder --dry-run --parse-particle-parameters ${abs_top_srcdir}/tests/regression/Filling/RegularGrid/pre/sles.potentials -i $file --select-all-atoms -B "14.199,0,14.199,0,0,14.199" --load ${abs_top_srcdir}/tests/regression/Filling/RegularGrid/pre/water.data --select-molecule-by-order -1 --fill-regular-grid --mesh-size 5 5 5 --mesh-offset "0.5,0.5,0.5" --tesselation-radius 10 --min-distance .5 --no-dry-run --store-session session-fill-regular-grid-with-surface.py --session-type python], 0, [stdout], [stderr])
40AT_CHECK([grep -v "Command.*DryRun" session-fill-regular-grid-with-surface.py >session-fill-regular-grid-with-surface_new.py], 0, [ignore], [ignore])
41AT_CHECK([../../molecuilderguitest session-fill-regular-grid-with-surface_new.py], 0, [stdout], [stderr])
42AT_CHECK([diff -I '.*Created by molecuilder.*' $file ${abs_top_srcdir}/tests/regression/Filling/RegularGrid/post/$file], 0, [ignore], [ignore])
43
44AT_CLEANUP
45
46
47AT_SETUP([Filling - Fill regular grid with surface with Undo])
48AT_KEYWORDS([filling fill-regular-grid undo])
49
50file=solved_double_sles.data
51AT_CHECK([/bin/cp -f ${abs_top_srcdir}/tests/regression/Filling/RegularGrid/pre/double_sles.data $file], 0)
52AT_CHECK([chmod u+w $file], 0)
53AT_CHECK([../../molecuilder --dry-run --parse-particle-parameters ${abs_top_srcdir}/tests/regression/Filling/RegularGrid/pre/sles.potentials -i $file --select-all-atoms -B "14.199,0,14.199,0,0,14.199" --load ${abs_top_srcdir}/tests/regression/Filling/RegularGrid/pre/water.data --select-molecule-by-order -1 --fill-regular-grid --mesh-size 5 5 5 --mesh-offset "0.5,0.5,0.5" --tesselation-radius 10 --min-distance .5 --undo --no-dry-run --store-session session-fill-regular-grid-with-surface.py --session-type python], 0, [stdout], [stderr])
54AT_CHECK([grep -v "Command.*DryRun" session-fill-regular-grid-with-surface.py >session-fill-regular-grid-with-surface_new.py], 0, [ignore], [ignore])
55AT_CHECK([../../molecuilderguitest session-fill-regular-grid-with-surface_new.py], 0, [stdout], [stderr])
56AT_CHECK([diff -I '.*Created by molecuilder.*' $file ${abs_top_srcdir}/tests/regression/Filling/RegularGrid/post/double_sles-undo.data], 0, [ignore], [ignore])
57
58AT_CLEANUP
59
60
61AT_SETUP([Filling - Fill regular grid with surface with Redo])
62AT_KEYWORDS([filling fill-regular-grid redo])
63
64file=solved_double_sles.data
65AT_CHECK([/bin/cp -f ${abs_top_srcdir}/tests/regression/Filling/RegularGrid/pre/double_sles.data $file], 0)
66AT_CHECK([chmod u+w $file], 0)
67AT_CHECK([../../molecuilder --dry-run --parse-particle-parameters ${abs_top_srcdir}/tests/regression/Filling/RegularGrid/pre/sles.potentials -i $file --select-all-atoms -B "14.199,0,14.199,0,0,14.199" --load ${abs_top_srcdir}/tests/regression/Filling/RegularGrid/pre/water.data --select-molecule-by-order -1 --fill-regular-grid --mesh-size 5 5 5 --mesh-offset "0.5,0.5,0.5" --tesselation-radius 10 --min-distance .5 --undo --redo --no-dry-run --store-session session-fill-regular-grid-with-surface.py --session-type python], 0, [stdout], [stderr])
68AT_CHECK([grep -v "Command.*DryRun" session-fill-regular-grid-with-surface.py >session-fill-regular-grid-with-surface_new.py], 0, [ignore], [ignore])
69AT_CHECK([../../molecuilderguitest session-fill-regular-grid-with-surface_new.py], 0, [stdout], [stderr])
70AT_CHECK([diff -I '.*Created by molecuilder.*' $file ${abs_top_srcdir}/tests/regression/Filling/RegularGrid/post/$file], 0, [ignore], [ignore])
71
72AT_CLEANUP
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