# # MoleCuilder - creates and alters molecular systems # Copyright (C) 2016 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 # 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 . # ### parse and save state of FragmentationResultsContainer AT_SETUP([Fragmentation - parse and save fragment results]) AT_KEYWORDS([fragmentation parse-fragment-results save-fragment-results]) file=results_new.dat newfile=results_new2.dat # fails because file is missing AT_CHECK([../../molecuilder --parse-fragment-results $file --save-fragment-results $file], 5, [ignore], [ignore]) AT_CHECK([/bin/cp -f ${abs_top_srcdir}/tests/regression/Fragmentation/ParseSaveFragmentResults/pre/results.dat results.dat], 0) AT_CHECK([../../molecuilder --parse-fragment-results results.dat --save-fragment-results $file], 0, [ignore], [ignore]) # we ignore white space changes (also missing new line on end of last line) AT_CHECK([diff -Z $file ${abs_top_srcdir}/tests/regression/Fragmentation/ParseSaveFragmentResults/pre/results.dat], 0, [ignore], [ignore]) # fails because file is already present AT_CHECK([../../molecuilder --parse-fragment-results $file --save-fragment-results $file], 5, [ignore], [ignore]) AT_CHECK([../../molecuilder --parse-fragment-results $file --save-fragment-results $newfile], 0, [ignore], [ignore]) AT_CHECK([diff -Z $file $newfile], 0, [ignore], [ignore]) AT_CLEANUP AT_SETUP([Fragmentation - parse and save fragment results with Undo]) AT_KEYWORDS([fragmentation parse-fragment-results save-fragment-results undo]) emptyfile=results_empty.dat AT_CHECK([/bin/cp -f ${abs_top_srcdir}/tests/regression/Fragmentation/ParseSaveFragmentResults/pre/results.dat results.dat], 0) AT_CHECK([../../molecuilder --parse-fragment-results results.dat --undo --save-fragment-results $emptyfile], 0, [ignore], [ignore]) # we ignore white space changes (also missing new line on end of last line) AT_CHECK([diff -Z $emptyfile ${abs_top_srcdir}/tests/regression/Fragmentation/ParseSaveFragmentResults/post/results_empty.dat], 0, [ignore], [ignore]) AT_CLEANUP AT_SETUP([Fragmentation - parse and save fragment results with Redo]) AT_KEYWORDS([fragmentation parse-fragment-results save-fragment-results undo redo]) file=results_new.dat AT_CHECK([/bin/cp -f ${abs_top_srcdir}/tests/regression/Fragmentation/ParseSaveFragmentResults/pre/results.dat results.dat], 0) AT_CHECK([../../molecuilder --parse-fragment-results results.dat --undo --redo --save-fragment-results $file], 0, [ignore], [ignore]) # we ignore white space changes (also missing new line on end of last line) AT_CHECK([diff -Z $file ${abs_top_srcdir}/tests/regression/Fragmentation/ParseSaveFragmentResults/pre/results.dat], 0, [ignore], [ignore]) AT_CLEANUP