source: tests/regression/Analysis/PointCorrelation/testsuite-analysis-point-correlation.at@ fc38cb

#
#    MoleCuilder - creates and alters molecular systems
#    Copyright (C) 2008-2012 University of Bonn
#
#    This program is free software: you can redistribute it and/or modify
#    it under the terms of the GNU General Public License as published by
#    the Free Software Foundation, either version 3 of the License, or
#    (at your option) any later version.
#
#    This program is distributed in the hope that it will be useful,
#    but WITHOUT ANY WARRANTY; without even the implied warranty of
#    MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE.  See the
#    GNU General Public License for more details.
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#    You should have received a copy of the GNU General Public License
#    along with this program.  If not, see <http://www.gnu.org/licenses/>.
#
### pair correlation analysis to point

AT_SETUP([Analysis - point correlation])
AT_KEYWORDS([analysis correlation point-correlation])

AT_CHECK([/bin/cp -f ${abs_top_srcdir}/tests/regression/Analysis/PointCorrelation/pre/test.conf .], 0)
AT_CHECK([../../molecuilder -i test.conf  -v 7 --select-all-molecules --point-correlation --elements 1 --position "10., 10., 10." --output-file output.csv --bin-output-file bin_output.csv --bin-start 0 --bin-end 20], 0, [stdout], [stderr])
AT_CHECK([fgrep "Begin of CorrelationToPoint" stdout], 0, [ignore], [ignore])
#AT_CHECK([file=output.csv; diff $file ${abs_top_srcdir}/tests/regression/Analysis/PointCorrelation/post/output.csv], 0, [ignore], [ignore])
AT_CHECK([file=bin_output.csv; diff $file ${abs_top_srcdir}/tests/regression/Analysis/PointCorrelation/post/bin_output.csv], 0, [ignore], [ignore])

AT_CLEANUP