Index: tests/GuiChecks/Analysis/DipoleAngularCorrelation-PeriodicBoundaries/testsuite-analysis-dipole-angular-correlation-periodic-boundaries.at
===================================================================
--- tests/GuiChecks/Analysis/DipoleAngularCorrelation-PeriodicBoundaries/testsuite-analysis-dipole-angular-correlation-periodic-boundaries.at	(revision dd6c07d2c5d563c8e46c0a4b01a0de11563eb584)
+++ tests/GuiChecks/Analysis/DipoleAngularCorrelation-PeriodicBoundaries/testsuite-analysis-dipole-angular-correlation-periodic-boundaries.at	(revision dd6c07d2c5d563c8e46c0a4b01a0de11563eb584)
@@ -0,0 +1,75 @@
+#
+#    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 angular correlation analysis
+
+AT_SETUP([Analysis - dipole angular correlation on PDBs with CONECT and periodic BC, zero change])
+AT_KEYWORDS([analysis dipole correlation pdb dipole-angular-correlation periodic])
+AT_CHECK([/bin/cp -f ${abs_top_srcdir}/tests/regression/Analysis/DipoleAngularCorrelation-PeriodicBoundaries/pre/watermulti_X.pdb .], 0)
+AT_CHECK([../../molecuilder --dry-run -v 4 -i watermulti_X.pdb -o pdb --dipole-angular-correlation H2O --bin-start -5 --bin-width 10. --bin-end 184.5 --time-step-zero 0 --output-file water_values --bin-output-file water_histogram --no-dry-run --store-session session-analysis-dipole-angular-correlation-periodic-boundaries.py --session-type python], 0, [stdout], [stderr])
+AT_CHECK([grep -v "Command.*DryRun" session-analysis-dipole-angular-correlation-periodic-boundaries.py >session-analysis-dipole-angular-correlation-periodic-boundaries_new.py], 0, [ignore], [ignore])
+AT_CHECK([../../molecuilderguitest session-analysis-dipole-angular-correlation-periodic-boundaries_new.py], 0, [stdout], [stderr])
+i=0; while test $i -ne 36; do 
+	step=`printf %04d $i`
+	AT_CHECK([diff water_histogram.$step.dat ${abs_top_srcdir}/tests/regression/Analysis/DipoleAngularCorrelation-PeriodicBoundaries/post/water_histogram_X.dat], 0, [ignore], [ignore])
+	AT_CHECK([diff water_values.$step.dat ${abs_top_srcdir}/tests/regression/Analysis/DipoleAngularCorrelation-PeriodicBoundaries/post/water_values_X.dat], 0, [ignore], [ignore])
+	let i=$i+1
+done
+AT_CLEANUP
+
+AT_SETUP([Analysis - dipole angular correlation on PDBs with CONECT and periodic BC, true change])
+AT_KEYWORDS([analysis dipole correlation pdb dipole-angular-correlation periodic])
+AT_CHECK([/bin/cp -f ${abs_top_srcdir}/tests/regression/Analysis/DipoleAngularCorrelation-PeriodicBoundaries/pre/watermulti_Y.pdb .], 0)
+AT_CHECK([../../molecuilder --dry-run -v 4 -i watermulti_Y.pdb -o pdb --dipole-angular-correlation H2O --bin-start -5 --bin-width 10. --bin-end 184.5 --time-step-zero 0 --output-file water_values --bin-output-file water_histogram --no-dry-run --store-session session-analysis-dipole-angular-correlation-periodic-boundaries.py --session-type python], 0, [stdout], [stderr])
+AT_CHECK([grep -v "Command.*DryRun" session-analysis-dipole-angular-correlation-periodic-boundaries.py >session-analysis-dipole-angular-correlation-periodic-boundaries_new.py], 0, [ignore], [ignore])
+AT_CHECK([../../molecuilderguitest session-analysis-dipole-angular-correlation-periodic-boundaries_new.py], 0, [stdout], [stderr])
+i=0; while test $i -ne 36; do 
+	step=`printf %04d $i`
+	AT_CHECK([diff water_histogram.$step.dat ${abs_top_srcdir}/tests/regression/Analysis/DipoleAngularCorrelation-PeriodicBoundaries/post/water_histogram_Y.$step.dat], 0, [ignore], [ignore])
+	AT_CHECK([diff water_values.$step.dat ${abs_top_srcdir}/tests/regression/Analysis/DipoleAngularCorrelation-PeriodicBoundaries/post/water_values_Y.$step.dat], 0, [ignore], [ignore])
+	let i=$i+1
+done
+AT_CLEANUP
+
+AT_SETUP([Analysis - dipole angular correlation on XYZs and periodic BC, zero change])
+AT_KEYWORDS([analysis dipole correlation xyz dipole-angular-correlation periodic])
+AT_CHECK([/bin/cp -f ${abs_top_srcdir}/tests/regression/Analysis/DipoleAngularCorrelation-PeriodicBoundaries/pre/watermulti_X.xyz .], 0)
+AT_CHECK([../../molecuilder --dry-run -v 4 -i watermulti_X.xyz -o xyz -I --dipole-angular-correlation H2O --bin-start -5 --bin-width 10. --bin-end 184.5 --time-step-zero 0 --output-file water_values --bin-output-file water_histogram --no-dry-run --store-session session-analysis-dipole-angular-correlation-periodic-boundaries.py --session-type python], 0, [stdout], [stderr])
+AT_CHECK([grep -v "Command.*DryRun" session-analysis-dipole-angular-correlation-periodic-boundaries.py >session-analysis-dipole-angular-correlation-periodic-boundaries_new.py], 0, [ignore], [ignore])
+AT_CHECK([../../molecuilderguitest session-analysis-dipole-angular-correlation-periodic-boundaries_new.py], 0, [stdout], [stderr])
+i=0; while test $i -ne 36; do 
+	step=`printf %04d $i`
+	AT_CHECK([diff water_histogram.$step.dat ${abs_top_srcdir}/tests/regression/Analysis/DipoleAngularCorrelation-PeriodicBoundaries/post/water_histogram_X.dat], 0, [ignore], [ignore])
+	AT_CHECK([diff water_values.$step.dat ${abs_top_srcdir}/tests/regression/Analysis/DipoleAngularCorrelation-PeriodicBoundaries/post/water_values_X.dat], 0, [ignore], [ignore])
+	let i=$i+1
+done
+AT_CLEANUP
+
+AT_SETUP([Analysis - dipole angular correlation on XYZs and periodic BC, true change])
+AT_KEYWORDS([analysis dipole correlation xyz dipole-angular-correlation])
+AT_CHECK([/bin/cp -f ${abs_top_srcdir}/tests/regression/Analysis/DipoleAngularCorrelation-PeriodicBoundaries/pre/watermulti_Y.xyz .], 0)
+AT_CHECK([../../molecuilder --dry-run -v 4 -i watermulti_Y.xyz -o xyz -I --dipole-angular-correlation H2O --bin-start -5 --bin-width 10. --bin-end 184.5 --time-step-zero 0 --output-file water_values --bin-output-file water_histogram --no-dry-run --store-session session-analysis-dipole-angular-correlation-periodic-boundaries.py --session-type python], 0, [stdout], [stderr])
+AT_CHECK([grep -v "Command.*DryRun" session-analysis-dipole-angular-correlation-periodic-boundaries.py >session-analysis-dipole-angular-correlation-periodic-boundaries_new.py], 0, [ignore], [ignore])
+AT_CHECK([../../molecuilderguitest session-analysis-dipole-angular-correlation-periodic-boundaries_new.py], 0, [stdout], [stderr])
+i=0; while test $i -ne 36; do 
+	step=`printf %04d $i`
+	AT_CHECK([diff water_histogram.$step.dat ${abs_top_srcdir}/tests/regression/Analysis/DipoleAngularCorrelation-PeriodicBoundaries/post/water_histogram_Y.$step.dat], 0, [ignore], [ignore])
+	AT_CHECK([diff water_values.$step.dat ${abs_top_srcdir}/tests/regression/Analysis/DipoleAngularCorrelation-PeriodicBoundaries/post/water_values_Y.$step.dat], 0, [ignore], [ignore])
+	let i=$i+1
+done
+AT_CLEANUP
+
