source: tests/regression/Tesselation/Convex/testsuite-tesselation-convex-envelope.at@ 2eded3e

#
#    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.
#
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#    MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE.  See the
#    GNU General Public License for more details.
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#    along with this program.  If not, see <http://www.gnu.org/licenses/>.
#
### convex tesselation (where the non-convex is already convex)

AT_SETUP([Tesselation - Convex Envelope])
AT_KEYWORDS([Tesselation convex convex-envelope trianglematcher])

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 50. --convex-file $convexfile --nonconvex-file NonConvexEnvelope], 0, [stdout], [stderr])
AT_CHECK([../../trianglematcher ${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 8.89109 angstrom^3" stdout], 0, [ignore], [ignore])
AT_CHECK([diff ConvexEnvelope.dat NonConvexEnvelope.dat], 0, [ignore], [ignore])

AT_CLEANUP