source: tests/regression/Analysis/PairCorrelation-RangeTest/testsuite-analysis-pair-correlation-range-test.at@ d4a44c

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Last change on this file since d4a44c was ad28ef, checked in by Frederik Heber <heber@…>, 14 years ago

Changed regression testsuite structure of Analysis.

  • all numbered test cases now have meaningful names.
  • PairCorrelation range test split off (needs its own directory anyway).
  • Property mode set to 100644
File size: 1.8 KB
Line 
1### pair correlation analysis - range test
2
3AT_SETUP([Analysis - pair correlation range test])
4AT_KEYWORDS([analysis,correlation])
5AT_CHECK([/bin/cp -f ${abs_top_srcdir}/${AUTOTEST_PATH}/Analysis/PairCorrelation-RangeTest/pre/test.conf .], 0)
6AT_CHECK([../../molecuilder -i test.conf -v 3 --select-all-molecules --pair-correlation --elements 1 8 --output-file output-5.csv --bin-output-file bin_output-5.csv --bin-start 0 --bin-end 5], 0, [stdout], [stderr])
7#AT_CHECK([file=output-5.csv; diff $file ${abs_top_srcdir}/${AUTOTEST_PATH}/Analysis/PairCorrelation-RangeTest/post/$file], 0, [ignore], [ignore])
8AT_CHECK([file=bin_output-5.csv; diff $file ${abs_top_srcdir}/${AUTOTEST_PATH}/Analysis/PairCorrelation-RangeTest/post/$file], 0, [ignore], [ignore])
9AT_CHECK([../../molecuilder -i test.conf -v 3 --select-all-molecules --pair-correlation --elements 1 8 --output-file output-10.csv --bin-output-file bin_output-10.csv --bin-start 5 --bin-end 10], 0, [stdout], [stderr])
10#AT_CHECK([file=output-10.csv; diff $file ${abs_top_srcdir}/${AUTOTEST_PATH}/Analysis/PairCorrelation-RangeTest/post/$file], 0, [ignore], [ignore])
11AT_CHECK([file=bin_output-10.csv; diff $file ${abs_top_srcdir}/${AUTOTEST_PATH}/Analysis/PairCorrelation-RangeTest/post/$file], 0, [ignore], [ignore])
12AT_CHECK([../../molecuilder -i test.conf -v 3 --select-all-molecules --pair-correlation --elements 1 8 --output-file output-20.csv --bin-output-file bin_output-20.csv --bin-start 10 --bin-end 20], 0, [stdout], [stderr])
13#AT_CHECK([file=output-20.csv; diff $file ${abs_top_srcdir}/${AUTOTEST_PATH}/Analysis/PairCorrelation-RangeTest/post/$file], 0, [ignore], [ignore])
14AT_CHECK([file=bin_output-20.csv; diff $file ${abs_top_srcdir}/${AUTOTEST_PATH}/Analysis/PairCorrelation-RangeTest/post/$file], 0, [ignore], [ignore])
15AT_CLEANUP
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