source: tests/regression/Parser/Tremolo-Exttypes/testsuite-parser-tremolo-save-selected-atoms-as-exttypes.at@ 8f2f4e

#
#    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/>.
#
### parsing tremolo

AT_SETUP([Parser - save atoms as exttypes files])
AT_KEYWORDS([parser tremolo save-selected-atoms-as-exttypes])

file=test.xyz
typesfiles=test-wrong.exttypes
AT_CHECK([/bin/cp ${abs_top_srcdir}/tests/regression/Parser/Tremolo-Exttypes/pre/$file $file], 0, [ignore], [ignore])
AT_CHECK([chmod u+w $file])
AT_CHECK([../../molecuilder -i $file --select-all-atoms --save-selected-atoms-as-exttypes 1 --filename $typesfiles], 5, [stdout], [ignore])
AT_CHECK([diff $typesfiles ${abs_top_srcdir}/tests/regression/Parser/Tremolo-Exttypes/post/$typesfiles], 0, [ignore], [ignore])

typesfiles=test-right.exttypes
AT_CHECK([../../molecuilder -i $file --select-all-atoms --save-selected-atoms test.data --save-selected-atoms-as-exttypes 1 --filename $typesfiles], 0, [stdout], [ignore])
AT_CHECK([diff $typesfiles ${abs_top_srcdir}/tests/regression/Parser/Tremolo-Exttypes/post/$typesfiles], 0, [ignore], [ignore])

AT_CLEANUP