source: tests/regression/Selection/Atoms/AtomByOrder/testsuite-selection-select-atom-by-order.at@ c8f12e

#
#    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 order

AT_SETUP([Selection - atom with specific order])
AT_KEYWORDS([selection order atom select-atom-by-order])
# go through all possible orders (0-7) and removed
i=1
while test $i -le 8; do
  let id=$i-1
  file=id${id}_missing.xyz
  # normal
  AT_CHECK([/bin/cp -f ${abs_top_srcdir}/tests/regression/Selection/Atoms/AtomByOrder/pre/test.xyz $file])
  AT_CHECK([chmod u+w $file], 0)
  AT_CHECK([../../molecuilder -i $file -v 3 --select-atom-by-order ${i} -r], [], [ignore], [ignore])
  AT_CHECK([diff -I '.*Created by molecuilder.*' $file ${abs_top_srcdir}/tests/regression/Selection/Atoms/AtomByOrder/post/id${id}_missing.xyz])
  ((i+=1))
done
# go through all possible orders (0-7) and removed
i=1
while test $i -le 8; do
  let id=8-$i
  file=id${id}_missing.xyz
  # normal
  AT_CHECK([/bin/cp -f ${abs_top_srcdir}/tests/regression/Selection/Atoms/AtomByOrder/pre/test.xyz $file])
  AT_CHECK([chmod u+w $file], 0)
  AT_CHECK([../../molecuilder -i $file -v 3 --select-atom-by-order -${i} -r], [], [ignore], [ignore])
  AT_CHECK([diff -I '.*Created by molecuilder.*' $file ${abs_top_srcdir}/tests/regression/Selection/Atoms/AtomByOrder/post/id${id}_missing.xyz])
  ((i+=1))
done
AT_CLEANUP


AT_SETUP([Selection - atom with specific order with Undo])
AT_KEYWORDS([selection order atom select-atom-by-order undo])
# go through all possible ids (0-7) and removed
i=1
while test $i -le 8; do
  let id=$i-1
  file=id${id}_missing.xyz
  # undo
  AT_CHECK([/bin/cp -f ${abs_top_srcdir}/tests/regression/Selection/Atoms/AtomByOrder/pre/test.xyz $file])
  AT_CHECK([chmod u+w $file], 0)
  AT_CHECK([../../molecuilder -i $file -v 3 --select-atom-by-order ${i} --undo -r], [], [ignore], [ignore])
  AT_CHECK([diff -I '.*Created by molecuilder.*' $file ${abs_top_srcdir}/tests/regression/Selection/Atoms/AtomByOrder/post/test-undo.xyz])
  ((i+=1))
done
# go reverse through all possible ids (0-7) and removed
i=1
while test $i -le 8; do
  let id=8-$i
  file=id${id}_missing.xyz
  # undo
  AT_CHECK([/bin/cp -f ${abs_top_srcdir}/tests/regression/Selection/Atoms/AtomByOrder/pre/test.xyz $file])
  AT_CHECK([chmod u+w $file], 0)
  AT_CHECK([../../molecuilder -i $file -v 3 --select-atom-by-order -${i} --undo -r], [], [ignore], [ignore])
  AT_CHECK([diff -I '.*Created by molecuilder.*' $file ${abs_top_srcdir}/tests/regression/Selection/Atoms/AtomByOrder/post/test-undo.xyz])
  ((i+=1))
done
AT_CLEANUP


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