#
#    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/>.
#
### 4. (un)select molecules by id


AT_SETUP([Selection - Molecule by id])
AT_KEYWORDS([selection molecule select-molecule-by-id])

regressionpath="${abs_top_srcdir}/tests/regression/Selection/Molecules/MoleculeById"
srcfile=box.xyz
testfile=test.xyz
targetfile=water_id2_4.xyz
AT_CHECK([cp -n ${regressionpath}/pre/$srcfile $testfile], 0)
AT_CHECK([../../molecuilder --dry-run -i $testfile -I --select-molecule-by-id 2 4 -s $targetfile --no-dry-run --store-session session-selection-select-molecule-by-id.py --session-type python], 0, [stdout], [stderr])
AT_CHECK([grep -v "Command.*DryRun" session-selection-select-molecule-by-id.py >session-selection-select-molecule-by-id_new.py], 0, [ignore], [ignore])
AT_CHECK([../../molecuilderguitest session-selection-select-molecule-by-id_new.py], 0, [stdout], [stderr])
AT_CHECK([diff -I '.*Created by molecuilder.*' $targetfile ${regressionpath}/post/$targetfile], 0, [ignore], [ignore])

AT_CLEANUP


AT_SETUP([Selection - Molecule by id with Undo])
AT_KEYWORDS([selection molecule select-molecule-by-id undo])

regressionpath="${abs_top_srcdir}/tests/regression/Selection/Molecules/MoleculeById"
srcfile=box.xyz
testfile=test.xyz
targetfile=empty.xyz
AT_CHECK([cp -n ${regressionpath}/pre/$srcfile $testfile], 0)
AT_CHECK([../../molecuilder --dry-run -i $testfile -I --select-molecule-by-id 2 4 --undo -s $targetfile --no-dry-run --store-session session-selection-select-molecule-by-id.py --session-type python], 0, [stdout], [stderr])
AT_CHECK([grep -v "Command.*DryRun" session-selection-select-molecule-by-id.py >session-selection-select-molecule-by-id_new.py], 0, [ignore], [ignore])
AT_CHECK([../../molecuilderguitest session-selection-select-molecule-by-id_new.py], 0, [stdout], [stderr])
AT_CHECK([diff -I '.*Created by molecuilder.*' $targetfile ${regressionpath}/post/$targetfile], 0, [ignore], [ignore])

AT_CLEANUP


AT_SETUP([Selection - Molecule by id with Redo])
AT_KEYWORDS([selection molecule select-molecule-by-id redo])

regressionpath="${abs_top_srcdir}/tests/regression/Selection/Molecules/MoleculeById"
srcfile=box.xyz
testfile=test.xyz
targetfile=water_id2_4.xyz
AT_CHECK([cp -n ${regressionpath}/pre/$srcfile $testfile], 0)
AT_CHECK([../../molecuilder --dry-run -i $testfile -I --select-molecule-by-id 2 4 --undo --redo -s $targetfile --no-dry-run --store-session session-selection-select-molecule-by-id.py --session-type python], 0, [stdout], [stderr])
AT_CHECK([grep -v "Command.*DryRun" session-selection-select-molecule-by-id.py >session-selection-select-molecule-by-id_new.py], 0, [ignore], [ignore])
AT_CHECK([../../molecuilderguitest session-selection-select-molecule-by-id_new.py], 0, [stdout], [stderr])
AT_CHECK([diff -I '.*Created by molecuilder.*' $targetfile ${regressionpath}/post/$targetfile], 0, [ignore], [ignore])

AT_CLEANUP