Changeset 43552e for tests/regression/Atoms
- Timestamp:
- Jul 3, 2018, 10:51:02 AM (6 years ago)
- Branches:
- Candidate_v1.6.1
- Children:
- 108c88
- Parents:
- 1e06ed
- File:
-
- 1 edited
Legend:
- Unmodified
- Added
- Removed
-
tests/regression/Atoms/RandomPerturbation/testsuite-atoms-random-perturbation.at
r1e06ed r43552e 22 22 file=water.xyz 23 23 AT_CHECK([cp -f ${abs_top_srcdir}/tests/regression/Atoms/RandomPerturbation/pre/water.xyz $file], 0, [ignore], [ignore]) 24 AT_CHECK([chmod +w $file], 0, [ignore], [ignore]) 24 25 AT_CHECK([../../molecuilder -i water.xyz --set-random-number-distribution "uniform_int" --random-number-distribution-parameters "max=1;" --select-all-atoms --random-perturbation 0.1], 0, [ignore], [ignore]) 25 26 AT_CHECK([diff -I '.*reated' $file ${abs_top_srcdir}/tests/regression/Atoms/RandomPerturbation/post/water.xyz], 0, [ignore], [ignore]) … … 30 31 file=water.xyz 31 32 AT_CHECK([cp -f ${abs_top_srcdir}/tests/regression/Atoms/RandomPerturbation/pre/water.xyz $file], 0, [ignore], [ignore]) 33 AT_CHECK([chmod +w $file], 0, [ignore], [ignore]) 32 34 AT_CHECK([../../molecuilder -i water.xyz --set-random-number-distribution "uniform_int" --random-number-distribution-parameters "max=1;" --select-all-atoms --random-perturbation 0.1 --undo], 0, [ignore], [ignore]) 33 35 AT_CHECK([diff -I '.*reated' $file ${abs_top_srcdir}/tests/regression/Atoms/RandomPerturbation/pre/water.xyz], 0, [ignore], [ignore]) … … 39 41 file=water.xyz 40 42 AT_CHECK([cp -f ${abs_top_srcdir}/tests/regression/Atoms/RandomPerturbation/pre/water.xyz $file], 0, [ignore], [ignore]) 43 AT_CHECK([chmod +w $file], 0, [ignore], [ignore]) 41 44 AT_CHECK([../../molecuilder -i water.xyz --set-random-number-distribution "uniform_int" --random-number-distribution-parameters "max=1;" --select-all-atoms --random-perturbation 0.1 --undo --redo], 0, [ignore], [ignore]) 42 45 AT_CHECK([diff -I '.*reated' $file ${abs_top_srcdir}/tests/regression/Atoms/RandomPerturbation/post/water.xyz], 0, [ignore], [ignore])
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