# # 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 . # ### parsing tremolo AT_SETUP([Parser - loading twice the same tremolo file]) AT_KEYWORDS([parser load tremolo select-molecule-by-order select-molecules-atoms translate-atoms]) srcfile=water.data destfile=doublewater.data AT_CHECK([../../molecuilder --dry-run -i $destfile -o tremolo -l ${abs_top_srcdir}/tests/regression/Parser/Tremolo/pre/$srcfile --no-dry-run --store-session session-parser-tremolo-load-multiply.py --session-type python], 0, [ignore], [ignore]) AT_CHECK([grep -v "Command.*DryRun" session-parser-tremolo-load-multiply.py >session-parser-tremolo-load-multiply_new.py], 0, [ignore], [ignore]) AT_CHECK([../../molecuilderguitest session-parser-tremolo-load-multiply_new.py], 0, [ignore], [ignore]) AT_CHECK([../../molecuilder --dry-run -i $destfile -l ${abs_top_srcdir}/tests/regression/Parser/Tremolo/pre/$srcfile --select-molecule-by-order -1 --select-molecules-atoms --translate-atoms --position "2,0,0" --no-dry-run --store-session session-parser-tremolo-load-multiply.py --session-type python], 0, [ignore], [ignore]) AT_CHECK([grep -v "Command.*DryRun" session-parser-tremolo-load-multiply.py >session-parser-tremolo-load-multiply_new.py], 0, [ignore], [ignore]) AT_CHECK([../../molecuilderguitest session-parser-tremolo-load-multiply_new.py], 0, [ignore], [ignore]) AT_CHECK([diff -w -I '#.*' $destfile ${abs_top_srcdir}/tests/regression/Parser/Tremolo/post/$destfile], 0, [ignore], [ignore]) AT_CLEANUP