| [8c574b] | 1 | AT_BANNER([MoleCuilder - Tesselation test])
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| 2 | # 1. Non convex tesselation
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| 3 | AT_SETUP([Tesselation - Non-Convex Envelope])
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| 4 | AT_KEYWORDS([Tesselation])
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| 5 | AT_CHECK([/bin/cp -f ${abs_top_srcdir}/${AUTOTEST_PATH}/Tesselation/1/pre/* .], 0)
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| [1d9b7d2] | 6 | AT_CHECK([../../molecuilder -i test.conf -e ${abs_top_srcdir}/src/ --select-molecule-by-id 0 -N 4. --nonconvex-file NonConvexEnvelope], 0, [stdout], [stderr])
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| [8c574b] | 7 | AT_CHECK([file=NonConvexEnvelope.dat; diff $file ${abs_top_srcdir}/${AUTOTEST_PATH}/Tesselation/1/post/$file], 0, [ignore], [ignore])
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| [274d45] | 8 | #AT_CHECK([file=NonConvexEnvelope.r3d; diff $file ${abs_top_srcdir}/${AUTOTEST_PATH}/Tesselation/1/post/$file], 0, [ignore], [ignore])
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| [8c574b] | 9 | AT_CLEANUP
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| 10 |
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| 11 | # 2. convex tesselation (where the non-convex is already convex)
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| 12 | AT_SETUP([Tesselation - Convex Envelope])
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| 13 | AT_CHECK([/bin/cp -f ${abs_top_srcdir}/${AUTOTEST_PATH}/Tesselation/2/pre/* .], 0)
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| [1d9b7d2] | 14 | AT_CHECK([../../molecuilder -i test.conf -e ${abs_top_srcdir}/src/ --select-molecule-by-id 0 --convex-envelope --convex-file ConvexEnvelope --nonconvex-file NonConvexEnvelope], 0, [stdout], [stderr])
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| [8c574b] | 15 | AT_CHECK([file=ConvexEnvelope.dat; diff $file ${abs_top_srcdir}/${AUTOTEST_PATH}/Tesselation/2/post/$file], 0, [ignore], [ignore])
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| [274d45] | 16 | #AT_CHECK([file=ConvexEnvelope.r3d; diff $file ${abs_top_srcdir}/${AUTOTEST_PATH}/Tesselation/2/post/$file], 0, [ignore], [ignore])
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| [8c574b] | 17 | AT_CHECK([fgrep "tesselated volume area is 16.4016 angstrom^3" stdout], 0, [ignore], [ignore])
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| 18 | AT_CHECK([diff ConvexEnvelope.dat NonConvexEnvelope.dat], 0, [ignore], [ignore])
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| 19 | AT_CLEANUP
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| 20 |
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| 21 | # 3. Big Non convex tesselation
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| 22 | AT_SETUP([Tesselation - Big non-Convex Envelope])
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| 23 | AT_CHECK([/bin/cp -f ${abs_top_srcdir}/${AUTOTEST_PATH}/Tesselation/3/pre/* .], 0)
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| [1d9b7d2] | 24 | AT_CHECK([../../molecuilder -i test.conf -e ${abs_top_srcdir}/src/ --select-molecule-by-id 0 -N 4. --nonconvex-file NonConvexEnvelope], 0, [stdout], [stderr])
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| [8c574b] | 25 | AT_CHECK([file=NonConvexEnvelope.dat; diff $file ${abs_top_srcdir}/${AUTOTEST_PATH}/Tesselation/3/post/$file], 0, [ignore], [ignore])
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| [274d45] | 26 | #AT_CHECK([file=NonConvexEnvelope.r3d; diff $file ${abs_top_srcdir}/${AUTOTEST_PATH}/Tesselation/3/post/$file], 0, [ignore], [ignore])
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| [8c574b] | 27 | AT_CLEANUP
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| 28 |
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| 29 | # 4. Big convex tesselation - is not working yet
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| 30 | #AT_SETUP([Tesselation - big convex Envelope])
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| 31 | #AT_CHECK([/bin/cp -f ${abs_top_srcdir}/${AUTOTEST_PATH}/Tesselation/4/pre/* .], 0)
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| [1d9b7d2] | 32 | #AT_CHECK([../../molecuilder -i test.conf -e ${abs_top_srcdir}/src/ --select-molecule-by-id 0 --convex-envelope ConvexEnvelope NonConvexEnvelope], 0, [stdout], [stderr])
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| [8c574b] | 33 | #AT_CHECK([file=ConvexEnvelope.dat; diff $file ${abs_top_srcdir}/${AUTOTEST_PATH}/Tesselation/4/post/$file], 0, [ignore], [ignore])
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| 34 | #AT_CHECK([file=ConvexEnvelope.r3d; diff $file ${abs_top_srcdir}/${AUTOTEST_PATH}/Tesselation/4/post/$file], 0, [ignore], [ignore])
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| 35 | #AT_CHECK([fgrep "tesselated volume area is 16.4016 angstrom^3" stdout], 0, [ignore], [ignore])
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| 36 | #AT_CLEANUP
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