Index: tests/GuiChecks/Analysis/DipoleCorrelation-DiscreteAngles/testsuite-analysis-dipole-correlation-discrete-angles.at
===================================================================
--- tests/GuiChecks/Analysis/DipoleCorrelation-DiscreteAngles/testsuite-analysis-dipole-correlation-discrete-angles.at	(revision dd6c07d2c5d563c8e46c0a4b01a0de11563eb584)
+++ tests/GuiChecks/Analysis/DipoleCorrelation-DiscreteAngles/testsuite-analysis-dipole-correlation-discrete-angles.at	(revision dd6c07d2c5d563c8e46c0a4b01a0de11563eb584)
@@ -0,0 +1,50 @@
+#
+#    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.
+#
+#    You should have received a copy of the GNU General Public License
+#    along with this program.  If not, see <http://www.gnu.org/licenses/>.
+#
+### dipole correlation - discrete angles
+
+AT_SETUP([Analysis - dipole correlation - same aligned])
+AT_KEYWORDS([analysis correlation dipole-correlation])
+
+AT_CHECK([/bin/cp -f ${abs_top_srcdir}/tests/regression/Analysis/DipoleCorrelation-DiscreteAngles/pre/water.xyz .], 0)
+AT_CHECK([../../molecuilder --dry-run -i waterbox.xyz -o xyz -B "10, 0., 10, 0, 0, 10" -l water.xyz --select-molecule-by-order -1 --fill-regular-grid --mesh-size 3 3 3 --mesh-offset "0.,0.,0." --min-distance "1." --DoRotate 0 --no-dry-run --store-session session-analysis-dipole-correlation-discrete-angles.py --session-type python], 0, [stdout], [stderr])
+AT_CHECK([grep -v "Command.*DryRun" session-analysis-dipole-correlation-discrete-angles.py >session-analysis-dipole-correlation-discrete-angles_new.py], 0, [ignore], [ignore])
+AT_CHECK([../../molecuilderguitest session-analysis-dipole-correlation-discrete-angles_new.py], 0, [stdout], [stderr])
+AT_CHECK([../../molecuilder --dry-run -i waterbox.xyz -o xyz -I --select-all-molecules --dipole-correlation --bin-start -0.5 --bin-width 1. --bin-end 359.5 --output-file waterbox_values.dat --bin-output-file waterbox_histogram.dat --no-dry-run --store-session session-analysis-dipole-correlation-discrete-angles.py --session-type python], 0, [stdout], [stderr])
+AT_CHECK([grep -v "Command.*DryRun" session-analysis-dipole-correlation-discrete-angles.py >session-analysis-dipole-correlation-discrete-angles_new.py], 0, [ignore], [ignore])
+AT_CHECK([../../molecuilderguitest session-analysis-dipole-correlation-discrete-angles_new.py], 0, [stdout], [stderr])
+AT_CHECK([file=waterbox_histogram.dat; diff $file ${abs_top_srcdir}/tests/regression/Analysis/DipoleCorrelation-DiscreteAngles/post/waterbox_histogram.dat], 0, [ignore], [ignore])
+
+AT_CLEANUP
+
+
+AT_SETUP([Analysis - dipole correlation - same aligned but one])
+AT_KEYWORDS([analysis correlation dipole-correlation])
+
+AT_CHECK([/bin/cp -f ${abs_top_srcdir}/tests/regression/Analysis/DipoleCorrelation-DiscreteAngles/pre/water.xyz .], 0)
+AT_CHECK([../../molecuilder --dry-run -i waterbox-mirrored.xyz -o xyz -B "10, 0., 10, 0, 0, 10" -l water.xyz --select-molecule-by-order -1 --fill-regular-grid --mesh-size 3 3 3 --mesh-offset "0.5,0.5,0.5" --min-distance "1." --DoRotate 0 --no-dry-run --store-session session-analysis-dipole-correlation-discrete-angles.py --session-type python], 0, [stdout], [stderr])
+AT_CHECK([grep -v "Command.*DryRun" session-analysis-dipole-correlation-discrete-angles.py >session-analysis-dipole-correlation-discrete-angles_new.py], 0, [ignore], [ignore])
+AT_CHECK([../../molecuilderguitest session-analysis-dipole-correlation-discrete-angles_new.py], 0, [stdout], [stderr])
+AT_CHECK([../../molecuilder --dry-run -i waterbox-mirrored.xyz -I -v 3  --create-shape --shape-name "sphere1" --shape-type "sphere" --translation "5.,5.,5.5" --stretch "0.2,0.2,0.2" --select-shape-by-name "sphere1" --select-atoms-inside-volume --select-atoms-molecules --rotate-around-self 180 --axis "0,1,0" --no-dry-run --store-session session-analysis-dipole-correlation-discrete-angles.py --session-type python], 0, [stdout], [stderr])
+AT_CHECK([grep -v "Command.*DryRun" session-analysis-dipole-correlation-discrete-angles.py >session-analysis-dipole-correlation-discrete-angles_new.py], 0, [ignore], [ignore])
+AT_CHECK([../../molecuilderguitest session-analysis-dipole-correlation-discrete-angles_new.py], 0, [stdout], [stderr])
+AT_CHECK([../../molecuilder --dry-run -i waterbox-mirrored.xyz -o xyz -I --select-all-molecules --dipole-correlation --bin-start -0.5 --bin-width 1. --bin-end 359.5 --output-file waterbox-mirrored_values.dat --bin-output-file waterbox-mirrored_histogram.dat --no-dry-run --store-session session-analysis-dipole-correlation-discrete-angles.py --session-type python], 0, [stdout], [stderr])
+AT_CHECK([grep -v "Command.*DryRun" session-analysis-dipole-correlation-discrete-angles.py >session-analysis-dipole-correlation-discrete-angles_new.py], 0, [ignore], [ignore])
+AT_CHECK([../../molecuilderguitest session-analysis-dipole-correlation-discrete-angles_new.py], 0, [stdout], [stderr])
+AT_CHECK([file=waterbox-mirrored_histogram.dat; diff $file ${abs_top_srcdir}/tests/regression/Analysis/DipoleCorrelation-DiscreteAngles/post/waterbox-mirrored_histogram.dat], 0, [ignore], [ignore])
+
+AT_CLEANUP
