#
#    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
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#
### Storing adjacency info

AT_SETUP([Molecules - Storing adjacency info])
AT_KEYWORDS([molecules save-adjacency])

file=test.conf
AT_CHECK([/bin/cp -f ${abs_top_srcdir}/tests/regression/Molecules/SaveAdjacency/pre/test.conf $file], 0)
AT_CHECK([../../molecuilder --dry-run -i $file  -v 1 --select-all-atoms --create-adjacency --select-molecule-by-id 0 -J test.adj --no-dry-run --store-session session-molecules-save-adjacency.py --session-type python], 0, [stdout], [stderr])
AT_CHECK([grep -v "Command.*DryRun" session-molecules-save-adjacency.py >session-molecules-save-adjacency_new.py], 0, [ignore], [ignore])
AT_CHECK([../../molecuilderguitest session-molecules-save-adjacency_new.py], 0, [stdout], [stderr])
AT_CHECK([file=test.adj; ../../adjacencymatcher $file $file ${abs_top_srcdir}/tests/regression/Molecules/SaveAdjacency/post/$file], 0, [ignore], [ignore])

AT_CLEANUP