# # 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 . # ### convex tesselation (where the non-convex is already convex) AT_SETUP([Tesselation - Convex Envelope]) AT_KEYWORDS([Tesselation convex convex-envelope]) file=test.conf AT_CHECK([/bin/cp -f ${abs_top_srcdir}/tests/regression/Tesselation/Convex/pre/test.conf $file], 0) convexfile=ConvexEnvelope AT_CHECK([../../molecuilder -i $file --select-molecule-by-id 0 --convex-envelope --convex-file $convexfile --nonconvex-file NonConvexEnvelope], 0, [stdout], [stderr]) AT_CHECK([diff ${convexfile}.dat ${abs_top_srcdir}/tests/regression/Tesselation/Convex/post/ConvexEnvelope.dat], 0, [ignore], [ignore]) #AT_CHECK([diff ${convexfile}.r3d ${abs_top_srcdir}/tests/regression/Tesselation/Convex/post/ConvexEnvelope.r3d], 0, [ignore], [ignore]) AT_CHECK([fgrep "tesselated volume area is 16.4016 angstrom^3" stdout], 0, [ignore], [ignore]) AT_CHECK([diff ConvexEnvelope.dat NonConvexEnvelope.dat], 0, [ignore], [ignore]) AT_CLEANUP