#
#    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/>.
#
### duplicating box

AT_SETUP([Domain - duplicating box])
AT_KEYWORDS([domain repeat-box])

file=test.conf
AT_CHECK([/bin/cp -f ${abs_top_srcdir}/tests/regression/Domain/RepeatBox/pre/test.conf $file], 0)
AT_CHECK([chmod u+w $file], 0, [ignore], [ignore])
AT_CHECK([../../molecuilder --dry-run -i $file  -o xyz -d 1 1 1 --no-dry-run --store-session session-domain-repeat-box.py --session-type python], 0, [stdout], [stderr])
AT_CHECK([grep -v "Command.*DryRun" session-domain-repeat-box.py >session-domain-repeat-box_new.py], 0, [ignore], [ignore])
AT_CHECK([../../molecuilderguitest session-domain-repeat-box_new.py], 0, [stdout], [stderr])
AT_CHECK([file=test.xyz;sort -n $file | grep -v "Created by" >$file-sorted], 0, [ignore], [ignore])
AT_CHECK([file=test.xyz;sort -n ${abs_top_srcdir}/tests/regression/Domain/RepeatBox/post/test.xyz  | grep -v "Created by" >$file-sorted2], 0, [ignore], [ignore])
AT_CHECK([file=test.xyz; diff $file-sorted $file-sorted2], 0, [ignore], [ignore])

file=test-x.conf
AT_CHECK([/bin/cp -f ${abs_top_srcdir}/tests/regression/Domain/RepeatBox/pre/test.conf $file], 0)
AT_CHECK([chmod u+w $file], 0, [ignore], [ignore])
AT_CHECK([../../molecuilder --dry-run -i $file -o xyz -d 2 1 1 --no-dry-run --store-session session-domain-repeat-box.py --session-type python], 0, [stdout], [stderr])
AT_CHECK([grep -v "Command.*DryRun" session-domain-repeat-box.py >session-domain-repeat-box_new.py], 0, [ignore], [ignore])
AT_CHECK([../../molecuilderguitest session-domain-repeat-box_new.py], 0, [stdout], [stderr])
AT_CHECK([file=test-x.xyz;sort -n $file | grep -v "Created by" >$file-sorted], 0, [ignore], [ignore])
AT_CHECK([file=test-x.xyz;sort -n ${abs_top_srcdir}/tests/regression/Domain/RepeatBox/post/test-x.xyz  | grep -v "Created by" >$file-sorted2], 0, [ignore], [ignore])
AT_CHECK([file=test-x.xyz; diff $file-sorted $file-sorted2], 0, [ignore], [ignore])

file=test-y.conf
AT_CHECK([/bin/cp -f ${abs_top_srcdir}/tests/regression/Domain/RepeatBox/pre/test.conf $file], 0)
AT_CHECK([chmod u+w $file], 0, [ignore], [ignore])
AT_CHECK([../../molecuilder --dry-run -i $file  -o xyz -d 1 2 1 --no-dry-run --store-session session-domain-repeat-box.py --session-type python], 0, [stdout], [stderr])
AT_CHECK([grep -v "Command.*DryRun" session-domain-repeat-box.py >session-domain-repeat-box_new.py], 0, [ignore], [ignore])
AT_CHECK([../../molecuilderguitest session-domain-repeat-box_new.py], 0, [stdout], [stderr])
AT_CHECK([file=test-y.xyz;sort -n $file | grep -v "Created by" >$file-sorted], 0, [ignore], [ignore])
AT_CHECK([file=test-y.xyz;sort -n ${abs_top_srcdir}/tests/regression/Domain/RepeatBox/post/test-y.xyz  | grep -v "Created by" >$file-sorted2], 0, [ignore], [ignore])
AT_CHECK([file=test-y.xyz; diff $file-sorted $file-sorted2], 0, [ignore], [ignore])

file=test-z.conf
AT_CHECK([/bin/cp -f ${abs_top_srcdir}/tests/regression/Domain/RepeatBox/pre/test.conf $file], 0)
AT_CHECK([chmod u+w $file], 0, [ignore], [ignore])
AT_CHECK([../../molecuilder --dry-run -i $file  -o xyz -d 1 1 2 --no-dry-run --store-session session-domain-repeat-box.py --session-type python], 0, [stdout], [stderr])
AT_CHECK([grep -v "Command.*DryRun" session-domain-repeat-box.py >session-domain-repeat-box_new.py], 0, [ignore], [ignore])
AT_CHECK([../../molecuilderguitest session-domain-repeat-box_new.py], 0, [stdout], [stderr])
AT_CHECK([file=test-z.xyz;sort -n $file | grep -v "Created by" >$file-sorted], 0, [ignore], [ignore])
AT_CHECK([file=test-z.xyz;sort -n ${abs_top_srcdir}/tests/regression/Domain/RepeatBox/post/test-z.xyz  | grep -v "Created by" >$file-sorted2], 0, [ignore], [ignore])
AT_CHECK([file=test-z.xyz; diff $file-sorted $file-sorted2], 0, [ignore], [ignore])

file=ec.data
AT_CHECK([/bin/cp -f ${abs_top_srcdir}/tests/regression/Domain/RepeatBox/pre/ec.* .], 0)
AT_CHECK([chmod u+w $file], 0, [ignore], [ignore])
AT_CHECK([../../molecuilder --dry-run --parse-particle-parameters ec.potentials -i $file  -o tremolo -d 2 2 2 --no-dry-run --store-session session-domain-repeat-box.py --session-type python], 0, [stdout], [stderr])
AT_CHECK([grep -v "Command.*DryRun" session-domain-repeat-box.py >session-domain-repeat-box_new.py], 0, [ignore], [ignore])
AT_CHECK([../../molecuilderguitest session-domain-repeat-box_new.py], 0, [stdout], [stderr])
AT_CHECK([diff $file ${abs_top_srcdir}/tests/regression/Domain/RepeatBox/post/$file], 0, [ignore], [ignore])

AT_CLEANUP


AT_SETUP([Domain - duplicating box with Undo])
AT_KEYWORDS([domain repeat-box undo])

file=test.conf
AT_CHECK([/bin/cp -f ${abs_top_srcdir}/tests/regression/Domain/RepeatBox/pre/test.conf $file], 0)
AT_CHECK([chmod u+w $file], 0, [ignore], [ignore])
AT_CHECK([../../molecuilder --dry-run -i $file  -o xyz -d 1 1 1 --undo --no-dry-run --store-session session-domain-repeat-box.py --session-type python], 0, [stdout], [stderr])
AT_CHECK([grep -v "Command.*DryRun" session-domain-repeat-box.py >session-domain-repeat-box_new.py], 0, [ignore], [ignore])
AT_CHECK([../../molecuilderguitest session-domain-repeat-box_new.py], 0, [stdout], [stderr])
AT_CHECK([file=test.xyz;sort -n $file | grep -v "Created by" >$file-sorted], 0, [ignore], [ignore])
AT_CHECK([file=test.xyz;sort -n ${abs_top_srcdir}/tests/regression/Domain/RepeatBox/post/test-undo.xyz  | grep -v "Created by" >$file-sorted2], 0, [ignore], [ignore])
AT_CHECK([file=test.xyz; diff $file-sorted $file-sorted2], 0, [ignore], [ignore])

file=test-x.conf
AT_CHECK([/bin/cp -f ${abs_top_srcdir}/tests/regression/Domain/RepeatBox/pre/test.conf $file], 0)
AT_CHECK([chmod u+w $file], 0, [ignore], [ignore])
AT_CHECK([../../molecuilder --dry-run -i $file -o xyz -d 2 1 1 --undo --no-dry-run --store-session session-domain-repeat-box.py --session-type python], 0, [stdout], [stderr])
AT_CHECK([grep -v "Command.*DryRun" session-domain-repeat-box.py >session-domain-repeat-box_new.py], 0, [ignore], [ignore])
AT_CHECK([../../molecuilderguitest session-domain-repeat-box_new.py], 0, [stdout], [stderr])
AT_CHECK([file=test-x.xyz;sort -n $file | grep -v "Created by" >$file-sorted], 0, [ignore], [ignore])
AT_CHECK([file=test-x.xyz;sort -n ${abs_top_srcdir}/tests/regression/Domain/RepeatBox/post/test-undo.xyz  | grep -v "Created by" >$file-sorted2], 0, [ignore], [ignore])
AT_CHECK([file=test-x.xyz; diff $file-sorted $file-sorted2], 0, [ignore], [ignore])

file=test-y.conf
AT_CHECK([/bin/cp -f ${abs_top_srcdir}/tests/regression/Domain/RepeatBox/pre/test.conf $file], 0)
AT_CHECK([chmod u+w $file], 0, [ignore], [ignore])
AT_CHECK([../../molecuilder --dry-run -i $file  -o xyz -d 1 2 1 --undo --no-dry-run --store-session session-domain-repeat-box.py --session-type python], 0, [stdout], [stderr])
AT_CHECK([grep -v "Command.*DryRun" session-domain-repeat-box.py >session-domain-repeat-box_new.py], 0, [ignore], [ignore])
AT_CHECK([../../molecuilderguitest session-domain-repeat-box_new.py], 0, [stdout], [stderr])
AT_CHECK([file=test-y.xyz;sort -n $file | grep -v "Created by" >$file-sorted], 0, [ignore], [ignore])
AT_CHECK([file=test-y.xyz;sort -n ${abs_top_srcdir}/tests/regression/Domain/RepeatBox/post/test-undo.xyz  | grep -v "Created by" >$file-sorted2], 0, [ignore], [ignore])
AT_CHECK([file=test-y.xyz; diff $file-sorted $file-sorted2], 0, [ignore], [ignore])

file=test-z.conf
AT_CHECK([/bin/cp -f ${abs_top_srcdir}/tests/regression/Domain/RepeatBox/pre/test.conf $file], 0)
AT_CHECK([chmod u+w $file], 0, [ignore], [ignore])
AT_CHECK([../../molecuilder --dry-run -i $file  -o xyz -d 1 1 2 --undo --no-dry-run --store-session session-domain-repeat-box.py --session-type python], 0, [stdout], [stderr])
AT_CHECK([grep -v "Command.*DryRun" session-domain-repeat-box.py >session-domain-repeat-box_new.py], 0, [ignore], [ignore])
AT_CHECK([../../molecuilderguitest session-domain-repeat-box_new.py], 0, [stdout], [stderr])
AT_CHECK([file=test-z.xyz;sort -n $file | grep -v "Created by" >$file-sorted], 0, [ignore], [ignore])
AT_CHECK([file=test-z.xyz;sort -n ${abs_top_srcdir}/tests/regression/Domain/RepeatBox/post/test-undo.xyz  | grep -v "Created by" >$file-sorted2], 0, [ignore], [ignore])
AT_CHECK([file=test-z.xyz; diff $file-sorted $file-sorted2], 0, [ignore], [ignore])

file=ec.data
AT_CHECK([/bin/cp -f ${abs_top_srcdir}/tests/regression/Domain/RepeatBox/pre/ec.* .], 0)
AT_CHECK([chmod u+w $file], 0, [ignore], [ignore])
AT_CHECK([../../molecuilder --dry-run --parse-particle-parameters ec.potentials  -i $file  -o tremolo -d 2 2 2 --undo --no-dry-run --store-session session-domain-repeat-box.py --session-type python], 0, [stdout], [stderr])
AT_CHECK([grep -v "Command.*DryRun" session-domain-repeat-box.py >session-domain-repeat-box_new.py], 0, [ignore], [ignore])
AT_CHECK([../../molecuilderguitest session-domain-repeat-box_new.py], 0, [stdout], [stderr])
AT_CHECK([diff $file ${abs_top_srcdir}/tests/regression/Domain/RepeatBox/pre/$file], 0, [ignore], [ignore])

AT_CLEANUP


AT_SETUP([Domain - duplicating box with Redo])
AT_KEYWORDS([domain repeat-box redo])

file=test.conf
AT_CHECK([/bin/cp -f ${abs_top_srcdir}/tests/regression/Domain/RepeatBox/pre/test.conf $file], 0)
AT_CHECK([chmod u+w $file], 0, [ignore], [ignore])
AT_CHECK([../../molecuilder --dry-run -i $file  -o xyz -d 1 1 1 --undo --redo --no-dry-run --store-session session-domain-repeat-box.py --session-type python], 0, [stdout], [stderr])
AT_CHECK([grep -v "Command.*DryRun" session-domain-repeat-box.py >session-domain-repeat-box_new.py], 0, [ignore], [ignore])
AT_CHECK([../../molecuilderguitest session-domain-repeat-box_new.py], 0, [stdout], [stderr])
AT_CHECK([file=test.xyz;sort -n $file | grep -v "Created by" >$file-sorted], 0, [ignore], [ignore])
AT_CHECK([file=test.xyz;sort -n ${abs_top_srcdir}/tests/regression/Domain/RepeatBox/post/test.xyz  | grep -v "Created by" >$file-sorted2], 0, [ignore], [ignore])
AT_CHECK([file=test.xyz; diff $file-sorted $file-sorted2], 0, [ignore], [ignore])

file=test-x.conf
AT_CHECK([/bin/cp -f ${abs_top_srcdir}/tests/regression/Domain/RepeatBox/pre/test.conf $file], 0)
AT_CHECK([chmod u+w $file], 0, [ignore], [ignore])
AT_CHECK([../../molecuilder --dry-run -i $file -o xyz -d 2 1 1 --undo --redo --no-dry-run --store-session session-domain-repeat-box.py --session-type python], 0, [stdout], [stderr])
AT_CHECK([grep -v "Command.*DryRun" session-domain-repeat-box.py >session-domain-repeat-box_new.py], 0, [ignore], [ignore])
AT_CHECK([../../molecuilderguitest session-domain-repeat-box_new.py], 0, [stdout], [stderr])
AT_CHECK([file=test-x.xyz;sort -n $file | grep -v "Created by" >$file-sorted], 0, [ignore], [ignore])
AT_CHECK([file=test-x.xyz;sort -n ${abs_top_srcdir}/tests/regression/Domain/RepeatBox/post/test-x.xyz  | grep -v "Created by" >$file-sorted2], 0, [ignore], [ignore])
AT_CHECK([file=test-x.xyz; diff $file-sorted $file-sorted2], 0, [ignore], [ignore])

file=test-y.conf
AT_CHECK([/bin/cp -f ${abs_top_srcdir}/tests/regression/Domain/RepeatBox/pre/test.conf $file], 0)
AT_CHECK([chmod u+w $file], 0, [ignore], [ignore])
AT_CHECK([../../molecuilder --dry-run -i $file  -o xyz -d 1 2 1 --undo --redo --no-dry-run --store-session session-domain-repeat-box.py --session-type python], 0, [stdout], [stderr])
AT_CHECK([grep -v "Command.*DryRun" session-domain-repeat-box.py >session-domain-repeat-box_new.py], 0, [ignore], [ignore])
AT_CHECK([../../molecuilderguitest session-domain-repeat-box_new.py], 0, [stdout], [stderr])
AT_CHECK([file=test-y.xyz;sort -n $file | grep -v "Created by" >$file-sorted], 0, [ignore], [ignore])
AT_CHECK([file=test-y.xyz;sort -n ${abs_top_srcdir}/tests/regression/Domain/RepeatBox/post/test-y.xyz  | grep -v "Created by" >$file-sorted2], 0, [ignore], [ignore])
AT_CHECK([file=test-y.xyz; diff $file-sorted $file-sorted2], 0, [ignore], [ignore])

file=test-z.conf
AT_CHECK([/bin/cp -f ${abs_top_srcdir}/tests/regression/Domain/RepeatBox/pre/test.conf $file], 0)
AT_CHECK([chmod u+w $file], 0, [ignore], [ignore])
AT_CHECK([../../molecuilder --dry-run -i $file  -o xyz -d 1 1 2 --undo --redo --no-dry-run --store-session session-domain-repeat-box.py --session-type python], 0, [stdout], [stderr])
AT_CHECK([grep -v "Command.*DryRun" session-domain-repeat-box.py >session-domain-repeat-box_new.py], 0, [ignore], [ignore])
AT_CHECK([../../molecuilderguitest session-domain-repeat-box_new.py], 0, [stdout], [stderr])
AT_CHECK([file=test-z.xyz;sort -n $file | grep -v "Created by" >$file-sorted], 0, [ignore], [ignore])
AT_CHECK([file=test-z.xyz;sort -n ${abs_top_srcdir}/tests/regression/Domain/RepeatBox/post/test-z.xyz  | grep -v "Created by" >$file-sorted2], 0, [ignore], [ignore])
AT_CHECK([file=test-z.xyz; diff $file-sorted $file-sorted2], 0, [ignore], [ignore])

file=ec.data
AT_CHECK([/bin/cp -f ${abs_top_srcdir}/tests/regression/Domain/RepeatBox/pre/ec.* .], 0)
AT_CHECK([chmod u+w $file], 0, [ignore], [ignore])
AT_CHECK([../../molecuilder --dry-run --parse-particle-parameters ec.potentials -i $file  -o tremolo -d 2 2 2 --undo --redo --no-dry-run --store-session session-domain-repeat-box.py --session-type python], 0, [stdout], [stderr])
AT_CHECK([grep -v "Command.*DryRun" session-domain-repeat-box.py >session-domain-repeat-box_new.py], 0, [ignore], [ignore])
AT_CHECK([../../molecuilderguitest session-domain-repeat-box_new.py], 0, [stdout], [stderr])
AT_CHECK([diff $file ${abs_top_srcdir}/tests/regression/Domain/RepeatBox/post/$file], 0, [ignore], [ignore])

AT_CLEANUP