source: tests/regression/Molecules/RotateAroundSelf/testsuite-molecules-rotate-around-self.at@ caeeb8

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Last change on this file since caeeb8 was 23b0c2, checked in by Frederik Heber <heber@…>, 14 years ago

Restructured test*.at files: 3-step-rule.

  • three-step rule: setup, test, cleanup is now each separated by empty line.
  • test file name is (most of the time) placed into variable $file.
  • Property mode set to 100644
File size: 2.0 KB
Line 
1### Rotate around self
2
3AT_SETUP([Molecules - Rotate around self])
4AT_KEYWORDS([Molecules])
5
6file=test.xyz
7AT_CHECK([/bin/cp -f ${abs_top_srcdir}/${AUTOTEST_PATH}/Molecules/RotateAroundSelf/pre/test.xyz $file], 0)
8AT_CHECK([chmod u+w $file], 0)
9AT_CHECK([../../molecuilder -i $file --select-all-molecules --rotate-around-self 90. --axis "0,0,1"], 0, [stdout], [stderr])
10AT_CHECK([diff -I '.*Created by molecuilder.*' $file ${abs_top_srcdir}/${AUTOTEST_PATH}/Molecules/RotateAroundSelf/post/test-rotated-z90.xyz], 0, [ignore], [ignore])
11
12file=test.xyz
13AT_CHECK([/bin/cp -f ${abs_top_srcdir}/${AUTOTEST_PATH}/Molecules/RotateAroundSelf/pre/test.xyz $file], 0)
14AT_CHECK([chmod u+w $file], 0)
15AT_CHECK([../../molecuilder -i $file --select-all-molecules --rotate-around-self 180. --axis "0,0,1"], 0, [stdout], [stderr])
16AT_CHECK([diff -I '.*Created by molecuilder.*' $file ${abs_top_srcdir}/${AUTOTEST_PATH}/Molecules/RotateAroundSelf/post/test-rotated-z180.xyz], 0, [ignore], [ignore])
17
18file=test.xyz
19AT_CHECK([/bin/cp -f ${abs_top_srcdir}/${AUTOTEST_PATH}/Molecules/RotateAroundSelf/pre/test.xyz $file], 0)
20AT_CHECK([chmod u+w $file], 0)
21AT_CHECK([../../molecuilder -i $file --select-all-molecules --rotate-around-self 360. --axis "0,0,1"], 0, [stdout], [stderr])
22AT_CHECK([diff -I '.*Created by molecuilder.*' $file ${abs_top_srcdir}/${AUTOTEST_PATH}/Molecules/RotateAroundSelf/post/test-rotated-z360.xyz], 0, [ignore], [ignore])
23AT_CHECK([diff -I '.*Created by molecuilder.*' $file ${abs_top_srcdir}/${AUTOTEST_PATH}/Molecules/RotateAroundSelf/pre/test.xyz], 0, [ignore], [ignore])
24
25file=test.xyz
26AT_CHECK([/bin/cp -f ${abs_top_srcdir}/${AUTOTEST_PATH}/Molecules/RotateAroundSelf/pre/test.xyz $file], 0)
27AT_CHECK([chmod u+w $file], 0)
28AT_CHECK([../../molecuilder -i $file --select-all-molecules --rotate-around-self 20. --axis "1,2,1"], 0, [stdout], [stderr])
29AT_CHECK([diff -I '.*Created by molecuilder.*' $file ${abs_top_srcdir}/${AUTOTEST_PATH}/Molecules/RotateAroundSelf/post/test-rotated-xYz20.xyz], 0, [ignore], [ignore])
30
31AT_CLEANUP
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