#
#    MoleCuilder - creates and alters molecular systems
#    Copyright (C) 2016 Frederik Heber
#
#    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/>.
#
### parse and save state of FragmentationResultsContainer

AT_SETUP([Fragmentation - parse and save fragment results])
AT_KEYWORDS([fragmentation parse-fragment-results save-fragment-results])
# results.dat is taken from Fragmentation/AnalyseFragmentationResults/pre/BondFragmentShortRangeResults.dat

file=results_new.dat
newfile=results_new2.dat

# fails because file is missing
AT_CHECK([../../molecuilder --dry-run --parse-fragment-results $file --save-fragment-results $file --no-dry-run --store-session session-fragmentation-parse-save-fragment-results.py --session-type python], 0, [ignore], [ignore])
AT_CHECK([grep -v "Command.*DryRun" session-fragmentation-parse-save-fragment-results.py >session-fragmentation-parse-save-fragment-results_new.py], 0, [ignore], [ignore])
AT_CHECK([../../molecuilderguitest session-fragmentation-parse-save-fragment-results_new.py], 5, [ignore], [ignore])

AT_CHECK([/bin/cp -f ${abs_top_srcdir}/tests/regression/Fragmentation/ParseSaveFragmentResults/pre/results.dat results.dat], 0)
AT_CHECK([../../molecuilder --dry-run --parse-fragment-results results.dat --save-fragment-results $file --no-dry-run --store-session session-fragmentation-parse-save-fragment-results.py --session-type python], 0, [ignore], [ignore])
AT_CHECK([grep -v "Command.*DryRun" session-fragmentation-parse-save-fragment-results.py >session-fragmentation-parse-save-fragment-results_new.py], 0, [ignore], [ignore])
AT_CHECK([../../molecuilderguitest session-fragmentation-parse-save-fragment-results_new.py], 0, [ignore], [ignore])
# we ignore white space changes (also missing new line on end of last line)
AT_CHECK([../../difffragmentresultcontainer $file ${abs_top_srcdir}/tests/regression/Fragmentation/ParseSaveFragmentResults/post/results_longrange_enabled.dat], 0, [ignore], [ignore], [
	AT_CHECK([../../difffragmentresultcontainer $file ${abs_top_srcdir}/tests/regression/Fragmentation/ParseSaveFragmentResults/post/results_longrange_disabled.dat], 0, [ignore], [ignore], [
		AT_CHECK([../../difffragmentresultcontainer $file ${abs_top_srcdir}/tests/regression/Fragmentation/ParseSaveFragmentResults/post/results_jobmarkt_disabled.dat], 0, [ignore], [ignore])
	])
])

# fails because file is already present
AT_CHECK([../../molecuilder --dry-run --parse-fragment-results $file --save-fragment-results $file --no-dry-run --store-session session-fragmentation-parse-save-fragment-results.py --session-type python], 0, [ignore], [ignore])
AT_CHECK([grep -v "Command.*DryRun" session-fragmentation-parse-save-fragment-results.py >session-fragmentation-parse-save-fragment-results_new.py], 0, [ignore], [ignore])
AT_CHECK([../../molecuilderguitest session-fragmentation-parse-save-fragment-results_new.py], 5, [ignore], [ignore])

AT_CHECK([../../molecuilder --dry-run --parse-fragment-results $file --save-fragment-results $newfile --no-dry-run --store-session session-fragmentation-parse-save-fragment-results.py --session-type python], 0, [ignore], [ignore])
AT_CHECK([grep -v "Command.*DryRun" session-fragmentation-parse-save-fragment-results.py >session-fragmentation-parse-save-fragment-results_new.py], 0, [ignore], [ignore])
AT_CHECK([../../molecuilderguitest session-fragmentation-parse-save-fragment-results_new.py], 0, [ignore], [ignore])
AT_CHECK([../../difffragmentresultcontainer $file ${abs_top_srcdir}/tests/regression/Fragmentation/ParseSaveFragmentResults/post/results_longrange_enabled.dat], 0, [ignore], [ignore], [
	AT_CHECK([../../difffragmentresultcontainer $file ${abs_top_srcdir}/tests/regression/Fragmentation/ParseSaveFragmentResults/post/results_longrange_disabled.dat], 0, [ignore], [ignore], [
		AT_CHECK([../../difffragmentresultcontainer $file ${abs_top_srcdir}/tests/regression/Fragmentation/ParseSaveFragmentResults/post/results_jobmarkt_disabled.dat], 0, [ignore], [ignore])
	])
])

AT_CLEANUP

AT_SETUP([Fragmentation - parse and save fragment results with Undo])
AT_KEYWORDS([fragmentation parse-fragment-results save-fragment-results undo])

emptyfile=results_empty.dat

AT_CHECK([/bin/cp -f ${abs_top_srcdir}/tests/regression/Fragmentation/ParseSaveFragmentResults/pre/results.dat results.dat], 0)
AT_CHECK([../../molecuilder --dry-run --parse-fragment-results results.dat --undo --save-fragment-results $emptyfile --no-dry-run --store-session session-fragmentation-parse-save-fragment-results.py --session-type python], 0, [ignore], [ignore])
AT_CHECK([grep -v "Command.*DryRun" session-fragmentation-parse-save-fragment-results.py >session-fragmentation-parse-save-fragment-results_new.py], 0, [ignore], [ignore])
AT_CHECK([../../molecuilderguitest session-fragmentation-parse-save-fragment-results_new.py], 0, [ignore], [ignore])
# we ignore white space changes (also missing new line on end of last line)
AT_CHECK([../../difffragmentresultcontainer $emptyfile ${abs_top_srcdir}/tests/regression/Fragmentation/ParseSaveFragmentResults/post/results_empty_longrange_enabled.dat], 0, [ignore], [ignore], [
	AT_CHECK([../../difffragmentresultcontainer $emptyfile ${abs_top_srcdir}/tests/regression/Fragmentation/ParseSaveFragmentResults/post/results_empty_longrange_disabled.dat], 0, [ignore], [ignore], [
		AT_CHECK([../../difffragmentresultcontainer $emptyfile ${abs_top_srcdir}/tests/regression/Fragmentation/ParseSaveFragmentResults/post/results_empty_jobmarkt_disabled.dat], 0, [ignore], [ignore])
	])
])

AT_CLEANUP

AT_SETUP([Fragmentation - parse and save fragment results with Redo])
AT_KEYWORDS([fragmentation parse-fragment-results save-fragment-results undo redo])

file=results_new.dat

AT_CHECK([/bin/cp -f ${abs_top_srcdir}/tests/regression/Fragmentation/ParseSaveFragmentResults/pre/results.dat results.dat], 0)
AT_CHECK([../../molecuilder --dry-run --parse-fragment-results results.dat --undo --redo --save-fragment-results $file --no-dry-run --store-session session-fragmentation-parse-save-fragment-results.py --session-type python], 0, [ignore], [ignore])
AT_CHECK([grep -v "Command.*DryRun" session-fragmentation-parse-save-fragment-results.py >session-fragmentation-parse-save-fragment-results_new.py], 0, [ignore], [ignore])
AT_CHECK([../../molecuilderguitest session-fragmentation-parse-save-fragment-results_new.py], 0, [ignore], [ignore])
# we ignore white space changes (also missing new line on end of last line)
AT_CHECK([../../difffragmentresultcontainer $file ${abs_top_srcdir}/tests/regression/Fragmentation/ParseSaveFragmentResults/post/results_longrange_enabled.dat], 0, [ignore], [ignore], [
	AT_CHECK([../../difffragmentresultcontainer $file ${abs_top_srcdir}/tests/regression/Fragmentation/ParseSaveFragmentResults/post/results_longrange_disabled.dat], 0, [ignore], [ignore], [
		AT_CHECK([../../difffragmentresultcontainer $file ${abs_top_srcdir}/tests/regression/Fragmentation/ParseSaveFragmentResults/post/results_jobmarkt_disabled.dat], 0, [ignore], [ignore])
	])
])

AT_CLEANUP