source: tests/GuiChecks/Atoms/RemoveSphere/testsuite-atoms-remove-sphere.at@ 4464ef

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Last change on this file since 4464ef 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: 7.7 KB
Line 
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### Removing atoms inside and outside of sphere
19
20AT_SETUP([Atoms - Removing sphere of atoms])
21AT_KEYWORDS([atoms remove-atom])
22
23file=test-withoutsphere.xyz
24AT_CHECK([/bin/cp -f ${abs_top_srcdir}/tests/regression/Atoms/RemoveSphere/pre/test.xyz $file], 0)
25AT_CHECK([chmod u+w $file], 0)
26AT_CHECK([../../molecuilder --dry-run -i $file --create-shape --shape-name "sphere1" --shape-type "sphere" --translation "7.283585982, 3.275186040, 3.535886037" --stretch "7., 7., 7." --angle-x 0. --angle-y 0. --angle-z 0. --select-shape-by-name "sphere1" --select-atoms-inside-volume -r --no-dry-run --store-session session-atoms-remove-sphere.py --session-type python], 0, [stdout], [stderr])
27AT_CHECK([grep -v "Command.*DryRun" session-atoms-remove-sphere.py >session-atoms-remove-sphere_new.py], 0, [ignore], [ignore])
28AT_CHECK([../../molecuilderguitest session-atoms-remove-sphere_new.py], 0, [stdout], [stderr])
29AT_CHECK([sort -n $file | grep -v -E "^[[[:digit:]]]+" | grep -v "Created by" >test-withoutsphere.xyz-sorted], 0, [ignore], [ignore])
30AT_CHECK([file=test-withoutsphere.xyz-sorted; diff $file ${abs_top_srcdir}/tests/regression/Atoms/RemoveSphere/post/test-withoutsphere.xyz-sorted], 0, [ignore], [ignore])
31
32file=test-sphere.xyz
33AT_CHECK([/bin/cp -f ${abs_top_srcdir}/tests/regression/Atoms/RemoveSphere/pre/test.xyz $file], 0)
34AT_CHECK([chmod u+w $file], 0)
35AT_CHECK([../../molecuilder --dry-run -i $file --select-all-atoms --create-shape --shape-name "sphere1" --shape-type "sphere" --translation "7.283585982, 3.275186040, 3.535886037" --stretch "7., 7., 7." --angle-x 0. --angle-y 0. --angle-z 0. --select-shape-by-name "sphere1" --unselect-atoms-inside-volume -r --no-dry-run --store-session session-atoms-remove-sphere.py --session-type python], 0, [stdout], [stderr])
36AT_CHECK([grep -v "Command.*DryRun" session-atoms-remove-sphere.py >session-atoms-remove-sphere_new.py], 0, [ignore], [ignore])
37AT_CHECK([../../molecuilderguitest session-atoms-remove-sphere_new.py], 0, [stdout], [stderr])
38AT_CHECK([sort -n $file | grep -v -E "^[[[:digit:]]]+" | grep -v "Created by" >test-sphere.xyz-sorted], 0, [ignore], [ignore])
39AT_CHECK([file=test-sphere.xyz-sorted; diff $file ${abs_top_srcdir}/tests/regression/Atoms/RemoveSphere/post/test-sphere.xyz-sorted], 0, [ignore], [ignore])
40AT_CHECK([cat test-sphere.xyz-sorted test-withoutsphere.xyz-sorted | sort -n >test.xyz-sorted], 0, [ignore], [ignore])
41AT_CHECK([file=test.xyz-sorted; diff $file ${abs_top_srcdir}/tests/regression/Atoms/RemoveSphere/post/test.xyz-sorted], 0, [ignore], [ignore])
42
43AT_CLEANUP
44
45
46AT_SETUP([Atoms - Removing sphere of atoms with Undo])
47AT_KEYWORDS([atoms remove-atom undo])
48
49file=test.xyz
50AT_CHECK([/bin/cp -f ${abs_top_srcdir}/tests/regression/Atoms/RemoveSphere/pre/test.xyz $file], 0)
51AT_CHECK([chmod u+w $file], 0)
52AT_CHECK([../../molecuilder --dry-run -i $file --create-shape --shape-name "sphere1" --shape-type "sphere" --translation "7.283585982, 3.275186040, 3.535886037" --stretch "7., 7., 7." --angle-x 0. --angle-y 0. --angle-z 0. --select-shape-by-name "sphere1" --select-atoms-inside-volume -r --undo --no-dry-run --store-session session-atoms-remove-sphere.py --session-type python], 0, [stdout], [stderr])
53AT_CHECK([grep -v "Command.*DryRun" session-atoms-remove-sphere.py >session-atoms-remove-sphere_new.py], 0, [ignore], [ignore])
54AT_CHECK([../../molecuilderguitest session-atoms-remove-sphere_new.py], 0, [stdout], [stderr])
55AT_CHECK([diff -I '.*Created by molecuilder.*' $file ${abs_top_srcdir}/tests/regression/Atoms/RemoveSphere/pre/$file], 0, [ignore], [ignore])
56
57file=test.xyz
58AT_CHECK([/bin/cp -f ${abs_top_srcdir}/tests/regression/Atoms/RemoveSphere/pre/test.xyz $file], 0)
59AT_CHECK([chmod u+w $file], 0)
60AT_CHECK([../../molecuilder --dry-run -i $file --select-all-atoms --create-shape --shape-name "sphere1" --shape-type "sphere" --translation "7.283585982, 3.275186040, 3.535886037" --stretch "7., 7., 7." --angle-x 0. --angle-y 0. --angle-z 0. --select-shape-by-name "sphere1" --unselect-atoms-inside-volume -r --undo --no-dry-run --store-session session-atoms-remove-sphere.py --session-type python], 0, [stdout], [stderr])
61AT_CHECK([grep -v "Command.*DryRun" session-atoms-remove-sphere.py >session-atoms-remove-sphere_new.py], 0, [ignore], [ignore])
62AT_CHECK([../../molecuilderguitest session-atoms-remove-sphere_new.py], 0, [stdout], [stderr])
63AT_CHECK([diff -I '.*Created by molecuilder.*' $file ${abs_top_srcdir}/tests/regression/Atoms/RemoveSphere/pre/$file], 0, [ignore], [ignore])
64
65AT_CLEANUP
66
67
68AT_SETUP([Atoms - Removing sphere of atoms with Redo])
69AT_KEYWORDS([atoms remove-atom redo])
70
71file=test-withoutsphere.xyz
72AT_CHECK([/bin/cp -f ${abs_top_srcdir}/tests/regression/Atoms/RemoveSphere/pre/test.xyz $file], 0)
73AT_CHECK([chmod u+w $file], 0)
74AT_CHECK([../../molecuilder --dry-run -i $file --create-shape --shape-name "sphere1" --shape-type "sphere" --translation "7.283585982, 3.275186040, 3.535886037" --stretch "7., 7., 7." --angle-x 0. --angle-y 0. --angle-z 0. --select-shape-by-name "sphere1" --select-atoms-inside-volume -r --undo --redo --no-dry-run --store-session session-atoms-remove-sphere.py --session-type python], 0, [stdout], [stderr])
75AT_CHECK([grep -v "Command.*DryRun" session-atoms-remove-sphere.py >session-atoms-remove-sphere_new.py], 0, [ignore], [ignore])
76AT_CHECK([../../molecuilderguitest session-atoms-remove-sphere_new.py], 0, [stdout], [stderr])
77AT_CHECK([sort -n $file | grep -v -E "^[[[:digit:]]]+" | grep -v "Created by" >test-withoutsphere.xyz-sorted], 0, [ignore], [ignore])
78AT_CHECK([file=test-withoutsphere.xyz-sorted; diff $file ${abs_top_srcdir}/tests/regression/Atoms/RemoveSphere/post/test-withoutsphere.xyz-sorted], 0, [ignore], [ignore])
79
80file=test-sphere.xyz
81AT_CHECK([/bin/cp -f ${abs_top_srcdir}/tests/regression/Atoms/RemoveSphere/pre/test.xyz $file], 0)
82AT_CHECK([chmod u+w $file], 0)
83AT_CHECK([../../molecuilder --dry-run -i $file --select-all-atoms --create-shape --shape-name "sphere1" --shape-type "sphere" --translation "7.283585982, 3.275186040, 3.535886037" --stretch "7., 7., 7." --angle-x 0. --angle-y 0. --angle-z 0. --select-shape-by-name "sphere1" --unselect-atoms-inside-volume -r --undo --redo --no-dry-run --store-session session-atoms-remove-sphere.py --session-type python], 0, [stdout], [stderr])
84AT_CHECK([grep -v "Command.*DryRun" session-atoms-remove-sphere.py >session-atoms-remove-sphere_new.py], 0, [ignore], [ignore])
85AT_CHECK([../../molecuilderguitest session-atoms-remove-sphere_new.py], 0, [stdout], [stderr])
86AT_CHECK([sort -n $file | grep -v -E "^[[[:digit:]]]+" | grep -v "Created by" >test-sphere.xyz-sorted], 0, [ignore], [ignore])
87AT_CHECK([file=test-sphere.xyz-sorted; diff $file ${abs_top_srcdir}/tests/regression/Atoms/RemoveSphere/post/test-sphere.xyz-sorted], 0, [ignore], [ignore])
88AT_CHECK([cat test-sphere.xyz-sorted test-withoutsphere.xyz-sorted | sort -n >test.xyz-sorted], 0, [ignore], [ignore])
89AT_CHECK([file=test.xyz-sorted; diff $file ${abs_top_srcdir}/tests/regression/Atoms/RemoveSphere/post/test.xyz-sorted], 0, [ignore], [ignore])
90
91AT_CLEANUP
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