source: tests/regression/Analysis/testsuite-analysis-angular-dipole-correlation-random-distribution.at@ 92e5cb

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Last change on this file since 92e5cb was cd7a87, checked in by Frederik Heber <heber@…>, 14 years ago

Refactored Analysis regression tests, added angular dipole correlation - empty test.

  • structure is now same as for Selection tests.
  • Principal Axis System is now implemented (commented-out before).
  • new Angular Dipole Correlation - empty test group created.
  • templates for discrete angles and random distribution that are skipped for the moment.

TESTFIXES:

  • Analysis/6-7: lengths was dropped (default value of "0." is sufficient).
  • Property mode set to 100644
File size: 895 bytes
Line 
1### 8. angular dipole correlation - random distribution
2
3AT_SETUP([Analysis - Angular dipole correlation - Uniform distribution])
4AT_KEYWORDS([analysis,correlation])
5AT_SKIP_IF([/bin/true])
6#AT_CHECK([/bin/cp -f ${abs_top_srcdir}/${AUTOTEST_PATH}/Analysis/5/pre/water.xyz .], 0)
7#AT_CHECK([../../molecuilder -i water.xyz -v 3 --select-all-molecules --principal-axis-system], 0, [stdout], [stderr])
8#AT_CHECK([fgrep "0.512674; 0; 0" stdout], 0, [ignore], [ignore])
9AT_CLEANUP
10
11AT_SETUP([Analysis - Angular dipole correlation - Gaussian distribution])
12AT_KEYWORDS([analysis,correlation])
13AT_SKIP_IF([/bin/true])
14#AT_CHECK([/bin/cp -f ${abs_top_srcdir}/${AUTOTEST_PATH}/Analysis/5/pre/water.xyz .], 0)
15#AT_CHECK([../../molecuilder -i water.xyz -v 3 --select-all-molecules --principal-axis-system], 0, [stdout], [stderr])
16#AT_CHECK([fgrep "0.512674; 0; 0" stdout], 0, [ignore], [ignore])
17AT_CLEANUP
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