AutomationFragmentation_failures
Candidate_v1.6.1
Candidate_v1.7.0
ChemicalSpaceEvaluator
stable
|
Last change
on this file since a6c11a was 0d97b4, checked in by Frederik Heber <heber@…>, 13 years ago |
|
FIX: Disclaimer appeared twice in each testsuite. Second time removed.
|
-
Property mode
set to
100644
|
|
File size:
1.3 KB
|
| Rev | Line | |
|---|
| [6253ed] | 1 | #
|
|---|
| 2 | # MoleCuilder - creates and alters molecular systems
|
|---|
| 3 | # Copyright (C) 2008-2012 University of Bonn
|
|---|
| 4 | #
|
|---|
| 5 | # This program is free software: you can redistribute it and/or modify
|
|---|
| 6 | # it under the terms of the GNU General Public License as published by
|
|---|
| 7 | # the Free Software Foundation, either version 3 of the License, or
|
|---|
| 8 | # (at your option) any later version.
|
|---|
| 9 | #
|
|---|
| 10 | # This program is distributed in the hope that it will be useful,
|
|---|
| 11 | # but WITHOUT ANY WARRANTY; without even the implied warranty of
|
|---|
| 12 | # MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the
|
|---|
| 13 | # GNU General Public License for more details.
|
|---|
| 14 | #
|
|---|
| 15 | # You should have received a copy of the GNU General Public License
|
|---|
| 16 | # along with this program. If not, see <http://www.gnu.org/licenses/>.
|
|---|
| 17 | #
|
|---|
| [ad28ef] | 18 | ### principal axis system
|
|---|
| [cd7a87] | 19 |
|
|---|
| 20 | AT_SETUP([Analysis - Principal Axis System])
|
|---|
| [e611dc] | 21 | AT_KEYWORDS([analysis correlation principal-axis-system])
|
|---|
| [23b0c2] | 22 |
|
|---|
| [7db9bd] | 23 | AT_CHECK([/bin/cp -f ${abs_top_srcdir}/tests/regression/Analysis/PrincipalAxisSystem/pre/water.xyz .], 0)
|
|---|
| [cd7a87] | 24 | AT_CHECK([../../molecuilder -i water.xyz -v 3 --select-all-molecules --principal-axis-system], 0, [stdout], [stderr])
|
|---|
| [4782599] | 25 | AT_CHECK([egrep " with eigenvalues.*0.512674" stdout], 0, [ignore], [ignore])
|
|---|
| 26 | AT_CHECK([egrep " with eigenvalues.*1.03033" stdout], 0, [ignore], [ignore])
|
|---|
| 27 | AT_CHECK([egrep " with eigenvalues.*1.54301" stdout], 0, [ignore], [ignore])
|
|---|
| [23b0c2] | 28 |
|
|---|
| [cd7a87] | 29 | AT_CLEANUP
|
|---|
Note:
See
TracBrowser
for help on using the repository browser.
