source: tests/regression/Selection/Atoms/AtomById/testsuite-selection-unselect-atom-by-id.at@ 1d02c2d

#
#    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/>.
#
#
#    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/>.
#
### 6. (un)select atom by id


AT_SETUP([Unselection - atom with specific id])
AT_KEYWORDS([unselection id atom unselect-atom-by-id])
# go through all possible ids (0-7) and remove others
i=0
while test $i -lt 8; do
  file=id${i}_present.xyz
  # normal
  AT_CHECK([/bin/cp -f ${abs_top_srcdir}/tests/regression/Selection/Atoms/AtomById/pre/test.xyz $file])
  AT_CHECK([chmod u+w $file], 0)
  AT_CHECK([../../molecuilder -i $file -v 3 --select-all-atoms --unselect-atom-by-id ${i} -r], [], [ignore], [ignore])
  AT_CHECK([diff -I '.*Created by molecuilder.*' $file ${abs_top_srcdir}/tests/regression/Selection/Atoms/AtomById/post/id${i}_present.xyz])
  ((i+=1))
done
AT_CLEANUP


AT_SETUP([Unselection - atom with specific id with Undo])
AT_KEYWORDS([unselection id atom unselect-atom-by-id undo])
# go through all possible ids (0-7) and remove others
i=0
while test $i -lt 8; do
  file=id${i}_present.xyz
  # undo
  AT_CHECK([/bin/cp -f ${abs_top_srcdir}/tests/regression/Selection/Atoms/AtomById/pre/test.xyz $file])
  AT_CHECK([chmod u+w $file], 0)
  AT_CHECK([../../molecuilder -i $file -v 3 --select-all-atoms --unselect-atom-by-id ${i} --undo -r], [], [ignore], [ignore])
  AT_CHECK([diff -I '.*Created by molecuilder.*' $file ${abs_top_srcdir}/tests/regression/Selection/Atoms/AtomById/post/empty.xyz])
  ((i+=1))
done
AT_CLEANUP


AT_SETUP([Unselection - atom with specific id with Redo])
AT_KEYWORDS([unselection id atom unselect-atom-by-id redo])
# go through all possible ids (0-7) and remove others
i=0
while test $i -lt 8; do
  file=id${i}_present.xyz
  # redo
  AT_CHECK([/bin/cp -f ${abs_top_srcdir}/tests/regression/Selection/Atoms/AtomById/pre/test.xyz $file])
  AT_CHECK([chmod u+w $file], 0)
  AT_CHECK([../../molecuilder -i $file -v 3 --select-all-atoms --unselect-atom-by-id ${i} --undo --redo -r], [], [ignore], [ignore])
  AT_CHECK([diff -I '.*Created by molecuilder.*' $file ${abs_top_srcdir}/tests/regression/Selection/Atoms/AtomById/post/id${i}_present.xyz])
  ((i+=1))
done
AT_CLEANUP