# # 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 . # # # 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 . # # BoxMaker AT_SETUP([Python externalization - BoxMaker: argon-filled domain]) AT_KEYWORDS([python boxmaker]) AT_TESTED([units]) AT_CHECK([cp -f ${abs_top_srcdir}/tests/Python/BoxMaker/pre/argon.* .], 0) AT_CHECK([../../run ${abs_top_builddir}/utils/Python/boxmaker.py argon source argon.data density 0.001g/cm^3], 0, [stdout], [ignore]) AT_CHECK([diff -I ".*reated by.*" out.xyz ${abs_top_srcdir}/tests/Python/BoxMaker/post/out.xyz], 0, [ignore], [ignore]) AT_CLEANUP