# # MoleCuilder - creates and alters molecular systems # Copyright (C) 2015 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 . # ### dry run AT_SETUP([Standard Options - dry run and store session]) AT_KEYWORDS([options dry-run no-dry-run store-session]) # sample session file="session.py" AT_CHECK([../../molecuilder --dry-run --input hydrogen.xyz --add-atom 1 --domain-position "0,0,0" --select-all-atoms --translate-atoms "5,5,5" --no-dry-run --store-session $file --session-type python], 0, [ignore], [ignore]) AT_CHECK([test -f $file], 0, [ignore], [ignore]) AT_CHECK([diff $file ${abs_top_srcdir}/tests/regression/Options/DryRun/post/$file], 0, [ignore], [ignore]) AT_CLEANUP