# # 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 . # ### calculate bounding box AT_SETUP([Analysis - Calculate bounding box]) AT_KEYWORDS([analysis reaction calculate-bounding-box]) # default domain AT_CHECK([../../molecuilder --calculate-bounding-box], 0, [stdout], [stderr]) AT_CHECK([egrep "RESULT" stdout], 0, [ignore], [ignore]) AT_CHECK([egrep "bounding box is .*0; 20; 0; 20; 0; 20" stdout], 0, [ignore], [ignore]) # specific box AT_CHECK([../../molecuilder -B "10,0,12,0,0,14" --calculate-bounding-box], 0, [stdout], [stderr]) AT_CHECK([egrep "RESULT" stdout], 0, [ignore], [ignore]) AT_CHECK([egrep "bounding box is .*0; 10; 0; 12; 0; 14" stdout], 0, [ignore], [ignore]) # special domain AT_CHECK([../../molecuilder -B "10,2,10,4,6,10" --calculate-bounding-box], 0, [stdout], [stderr]) AT_CHECK([egrep "RESULT" stdout], 0, [ignore], [ignore]) AT_CHECK([egrep "bounding box is .*0; 7.660.*; 0; 5.421.*; 0; 4.755.*;" stdout], 0, [ignore], [ignore]) AT_CLEANUP