source: tests/regression/Tesselation/Convex/testsuite-tesselation-convex-envelope.at@ 9bdcc9

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Last change on this file since 9bdcc9 was 0d97b4, checked in by Frederik Heber <heber@…>, 13 years ago

FIX: Disclaimer appeared twice in each testsuite. Second time removed.
  • Property mode set to 100644
File size: 1.7 KB
RevLine 
[6253ed]1#
2# MoleCuilder - creates and alters molecular systems
3# Copyright (C) 2008-2012 University of Bonn
4#
5# This program is free software: you can redistribute it and/or modify
6# it under the terms of the GNU General Public License as published by
7# the Free Software Foundation, either version 3 of the License, or
8# (at your option) any later version.
9#
10# This program is distributed in the hope that it will be useful,
11# but WITHOUT ANY WARRANTY; without even the implied warranty of
12# MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the
13# GNU General Public License for more details.
14#
15# You should have received a copy of the GNU General Public License
16# along with this program. If not, see <http://www.gnu.org/licenses/>.
17#
[881c05]18### convex tesselation (where the non-convex is already convex)
19
20AT_SETUP([Tesselation - Convex Envelope])
[e611dc]21AT_KEYWORDS([Tesselation convex convex-envelope])
[23b0c2]22
23file=test.conf
[7db9bd]24AT_CHECK([/bin/cp -f ${abs_top_srcdir}/tests/regression/Tesselation/Convex/pre/test.conf $file], 0)
[23b0c2]25convexfile=ConvexEnvelope
26AT_CHECK([../../molecuilder -i $file --select-molecule-by-id 0 --convex-envelope --convex-file $convexfile --nonconvex-file NonConvexEnvelope], 0, [stdout], [stderr])
[7db9bd]27AT_CHECK([diff ${convexfile}.dat ${abs_top_srcdir}/tests/regression/Tesselation/Convex/post/ConvexEnvelope.dat], 0, [ignore], [ignore])
28#AT_CHECK([diff ${convexfile}.r3d ${abs_top_srcdir}/tests/regression/Tesselation/Convex/post/ConvexEnvelope.r3d], 0, [ignore], [ignore])
[881c05]29AT_CHECK([fgrep "tesselated volume area is 16.4016 angstrom^3" stdout], 0, [ignore], [ignore])
30AT_CHECK([diff ConvexEnvelope.dat NonConvexEnvelope.dat], 0, [ignore], [ignore])
[23b0c2]31
[881c05]32AT_CLEANUP
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