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testsuite-molecules-rotate-around-self.at@ 967b3c

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Last change on this file since 967b3c was 967b3c, checked in by Frederik Heber <heber@…>, 14 years ago

Changed regression testsuite structure of Molecules.

all numbered test cases now have meaningful names.
renamed token of AtomAction/RotateAroundOriginByAngleAction: rotate-origin -> rotate-around-origin.
renamed token of LinearInterpolationofTrajectoriesAction: linear-interpolate -> linear-interpolation-of-trajectories.
renamed token of RotateAroundSelfByAngleAction: rotate-self -> rotate-around-self.
renamed token of RotateToPrincipalAxisSystemAction: rotate-to-pas -> rotate-to-principal-axis-system.
renamed token of VerletIntegrationAction: verlet-integrate -> verlet-integration.
re-added test for periodic translation (was Molecules/7 but unused).
TESTFIX: Analysis/AngularDipoleCorrelation-DiscreteAngles due to renaming of rotate-around-self.

Property mode set to 100644

File size: 1.8 KB

Line
1	### Rotate around self
2
3	AT_SETUP([Molecules - Rotate around self])
4	AT_KEYWORDS([Molecules])
5	AT_CHECK([/bin/cp -f ${abs_top_srcdir}/${AUTOTEST_PATH}/Molecules/RotateAroundSelf/pre/test.xyz .], 0)
6	AT_CHECK([../../molecuilder -i test.xyz --select-all-molecules --rotate-around-self 90. --axis "0,0,1"], 0, [stdout], [stderr])
7	AT_CHECK([diff -I '.Created by molecuilder.' test.xyz ${abs_top_srcdir}/${AUTOTEST_PATH}/Molecules/RotateAroundSelf/post/test-rotated-z90.xyz], 0, [ignore], [ignore])
8	AT_CHECK([/bin/cp -f ${abs_top_srcdir}/${AUTOTEST_PATH}/Molecules/RotateAroundSelf/pre/test.xyz .], 0)
9	AT_CHECK([../../molecuilder -i test.xyz --select-all-molecules --rotate-around-self 180. --axis "0,0,1"], 0, [stdout], [stderr])
10	AT_CHECK([diff -I '.Created by molecuilder.' test.xyz ${abs_top_srcdir}/${AUTOTEST_PATH}/Molecules/RotateAroundSelf/post/test-rotated-z180.xyz], 0, [ignore], [ignore])
11	AT_CHECK([/bin/cp -f ${abs_top_srcdir}/${AUTOTEST_PATH}/Molecules/RotateAroundSelf/pre/test.xyz .], 0)
12	AT_CHECK([../../molecuilder -i test.xyz --select-all-molecules --rotate-around-self 360. --axis "0,0,1"], 0, [stdout], [stderr])
13	AT_CHECK([diff -I '.Created by molecuilder.' test.xyz ${abs_top_srcdir}/${AUTOTEST_PATH}/Molecules/RotateAroundSelf/post/test-rotated-z360.xyz], 0, [ignore], [ignore])
14	AT_CHECK([diff -I '.Created by molecuilder.' test.xyz ${abs_top_srcdir}/${AUTOTEST_PATH}/Molecules/RotateAroundSelf/pre/test.xyz], 0, [ignore], [ignore])
15	AT_CHECK([/bin/cp -f ${abs_top_srcdir}/${AUTOTEST_PATH}/Molecules/RotateAroundSelf/pre/test.xyz .], 0)
16	AT_CHECK([../../molecuilder -i test.xyz --select-all-molecules --rotate-around-self 20. --axis "1,2,1"], 0, [stdout], [stderr])
17	AT_CHECK([diff -I '.Created by molecuilder.' test.xyz ${abs_top_srcdir}/${AUTOTEST_PATH}/Molecules/RotateAroundSelf/post/test-rotated-xYz20.xyz], 0, [ignore], [ignore])
18	AT_CLEANUP

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