# # MoleCuilder - creates and alters molecular systems # Copyright (C) 2013 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 . # ### store session AT_SETUP([Standard Options - store session as CLI]) AT_KEYWORDS([options store-session]) AT_TESTED([bash diff]) # check that session is stored and can be executed when correctly prefixed file=test.sh AT_DATA([$file], [../../molecuilder \ ]) AT_CHECK([../../molecuilder --verbose 2 --version --store-session $file], 0, [ignore], [ignore]) AT_CHECK([diff $file ${abs_top_srcdir}/tests/regression/Options/Session/post/$file], 0, [ignore], [ignore]) AT_CHECK([bash ./$file], 0, [ignore], [ignore]) AT_CLEANUP AT_SETUP([Standard Options - store complex session as CLI]) AT_KEYWORDS([options store-session]) AT_TESTED([bash diff]) # check that session is stored and can be executed when correctly prefixed file=complextest.sh AT_DATA([$file], [../../molecuilder \ ]) AT_CHECK([../../molecuilder --verbose 2 --set-output "mpqc" "tremolo" --set-random-number-distribution "uniform_int" --random-number-distribution-parameters "p=1;" --change-box "20,0,20,0,0,20" --add-atom 1 --domain-position "1,1,1" --select-atom-by-id 0 0 -I --select-atoms-molecules --fill-regular-grid --DoRotate 0 --mesh-offset ".5,.5,.5" --mesh-size 3 3 3 --version --store-session $file], 0, [ignore], [ignore]) AT_CHECK([diff $file ${abs_top_srcdir}/tests/regression/Options/Session/post/$file], 0, [ignore], [ignore]) AT_CHECK([bash ./$file], 0, [ignore], [ignore]) AT_CLEANUP