source: tests/regression/Selection/Atoms/AtomByName/testsuite-selection-select-atoms-by-name.at@ 3f6aac

#
#    MoleCuilder - creates and alters molecular systems
#    Copyright (C) 2017 Frederik Heber
#
#    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
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#    (at your option) any later version.
#
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#    GNU General Public License for more details.
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#    along with this program.  If not, see <http://www.gnu.org/licenses/>.
#
### 6. (un)select atoms by name

# select name by atomic number: 1, 4
AT_SETUP([Selection - All atoms by specific name])
AT_KEYWORDS([selection atom name select-atom-by-name])

file=ethane-H5_missing.pdb
AT_CHECK([/bin/cp -f ${abs_top_srcdir}/tests/regression/Selection/Atoms/AtomByName/pre/ethane.pdb $file], 0)
AT_CHECK([chmod u+w $file], 0)
AT_CHECK([../../molecuilder -i $file -v 3 --select-atom-by-name H5 -r], 0, [stdout], [stderr])
AT_CHECK([diff -I '.*created by molecuilder.*' $file ${abs_top_srcdir}/tests/regression/Selection/Atoms/AtomByName/post/ethane-H5_missing.pdb], 0, [ignore], [ignore])

AT_CLEANUP


AT_SETUP([Selection - All atoms by specific name with Undo])
AT_KEYWORDS([selection atom name select-atom-by-name undo])

file=ethane.pdb
AT_CHECK([/bin/cp -f ${abs_top_srcdir}/tests/regression/Selection/Atoms/AtomByName/pre/ethane.pdb $file], 0)
AT_CHECK([chmod u+w $file], 0)
AT_CHECK([../../molecuilder -i $file -v 3 --select-atom-by-name H5 --undo -r], 0, [stdout], [stderr])
AT_CHECK([diff -I '.*created by molecuilder.*' $file ${abs_top_srcdir}/tests/regression/Selection/Atoms/AtomByName/pre/ethane.pdb], 0, [ignore], [ignore])

AT_CLEANUP

AT_SETUP([Selection - All atoms by specific name with Redo])
AT_KEYWORDS([selection atom name select-atom-by-name redo])

file=ethane-H5_missing.pdb
AT_CHECK([/bin/cp -f ${abs_top_srcdir}/tests/regression/Selection/Atoms/AtomByName/pre/ethane.pdb $file], 0)
AT_CHECK([chmod u+w $file], 0)
AT_CHECK([../../molecuilder -i $file -v 3 --select-atom-by-name H5 --undo --redo -r], 0, [stdout], [stderr])
AT_CHECK([diff -I '.*created by molecuilder.*' $file ${abs_top_srcdir}/tests/regression/Selection/Atoms/AtomByName/post/ethane-H5_missing.pdb], 0, [ignore], [ignore])

AT_CLEANUP