source: tests/regression/Selection/Atoms/InvertAtoms/testsuite-selection-invert-atoms.at@ 3f6aac

#
#    MoleCuilder - creates and alters molecular systems
#    Copyright (C) 2008-2012 University of Bonn
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### 1. (un)select all atoms

AT_SETUP([Selection - Invert Atoms])
AT_KEYWORDS([selection invert-atoms])

file=allatoms.xyz
AT_CHECK([/bin/cp -f ${abs_top_srcdir}/tests/regression/Selection/Atoms/InvertAtoms/pre/box.xyz $file], 0)
AT_CHECK([chmod u+w $file], 0)
AT_CHECK([../../molecuilder -i $file -v 3 --select-atom-by-id 0 --invert-atoms -r], 0, [stdout], [stderr])
AT_CHECK([diff -I '.*Created by molecuilder.*' $file ${abs_top_srcdir}/tests/regression/Selection/Atoms/InvertAtoms/post/id0_present.xyz], 0, [ignore], [ignore])

AT_CLEANUP


AT_SETUP([Selection - Invert Atoms with Undo])
AT_KEYWORDS([selection invert-atoms undo])

file=allatoms.xyz
AT_CHECK([/bin/cp -f ${abs_top_srcdir}/tests/regression/Selection/Atoms/InvertAtoms/pre/box.xyz $file], 0)
AT_CHECK([chmod u+w $file], 0)
AT_CHECK([../../molecuilder -i $file -v 3 --select-atom-by-id 0 --invert-atoms --undo -r], 0, [stdout], [stderr])
AT_CHECK([diff -I '.*Created by molecuilder.*' $file ${abs_top_srcdir}/tests/regression/Selection/Atoms/InvertAtoms/post/id0_missing.xyz], 0, [ignore], [ignore])

AT_CLEANUP


AT_SETUP([Selection - Invert Atoms with Redo])
AT_KEYWORDS([selection invert-atoms redo])

file=allatoms.xyz
AT_CHECK([/bin/cp -f ${abs_top_srcdir}/tests/regression/Selection/Atoms/InvertAtoms/pre/box.xyz $file], 0)
AT_CHECK([chmod u+w $file], 0)
AT_CHECK([../../molecuilder -i $file -v 3 --select-atom-by-id 0 --invert-atoms --undo --redo -r], 0, [stdout], [stderr])
AT_CHECK([diff -I '.*Created by molecuilder.*' $file ${abs_top_srcdir}/tests/regression/Selection/Atoms/InvertAtoms/post/id0_present.xyz], 0, [ignore], [ignore])

AT_CLEANUP