Index: tests/Tesselations/N_N-dimethylacetamide/1.5/NonConvexEnvelope-N_N-dimethylacetamide.dat
===================================================================
--- tests/Tesselations/N_N-dimethylacetamide/1.5/NonConvexEnvelope-N_N-dimethylacetamide.dat	(revision bdedb126fe1a1073239174c61698ac3e49dc53b1)
+++ 	(revision )
@@ -1,63 +1,0 @@
-TITLE = "3D CONVEX SHELL"
-VARIABLES = "X" "Y" "Z" "U"
-ZONE T="N_N-dimethylacetamide", N=15, E=44, DATAPACKING=POINT, ZONETYPE=FETRIANGLE
-0 0 0 9
-0.24 0.96 1.1 10
-0 0.58 2.38 7
--0.5 -0.82 2.64 9
-0.76 2.3 0.78 12
-0.16 1.34 3.3 3
-0.6164 -0.8635 0.1393 3
--1.0292 -0.2927 0.0002 3
-0.2393 0.4619 -0.9351 6
--0.6555 -0.9539 3.6902 5
-0.2242 -1.5274 2.2936 2
--1.4232 -0.9712 2.1206 2
-0.4218 2.999 1.5162 3
-0.4063 2.5988 -0.1847 4
-1.8297 2.2759 0.7759 4
-
-5 13 15
-5 13 15
-5 14 15
-5 14 15
-5 9 14
-5 13 14
-5 13 14
-5 6 13
-2 5 6
-2 3 6
-2 5 15
-2 5 15
-2 5 9
-2 5 14
-2 5 13
-1 2 9
-1 2 9
-2 9 14
-1 7 9
-1 7 9
-1 7 8
-1 8 9
-1 8 9
-1 2 7
-1 2 8
-2 3 13
-3 6 13
-2 3 8
-3 8 12
-3 4 12
-4 10 12
-4 10 12
-4 10 11
-4 10 11
-4 11 12
-3 4 11
-3 4 10
-3 4 10
-3 6 10
-3 6 10
-2 3 7
-3 7 11
-7 8 12
-7 11 12
Index: tests/Tesselations/N_N-dimethylacetamide/2.5/NonConvexEnvelope-N_N-dimethylacetamide.dat
===================================================================
--- tests/Tesselations/N_N-dimethylacetamide/2.5/NonConvexEnvelope-N_N-dimethylacetamide.dat	(revision bdedb126fe1a1073239174c61698ac3e49dc53b1)
+++ 	(revision )
@@ -1,40 +1,0 @@
-TITLE = "3D CONVEX SHELL"
-VARIABLES = "X" "Y" "Z" "U"
-ZONE T="N_N-dimethylacetamide", N=12, E=24, DATAPACKING=POINT, ZONETYPE=FETRIANGLE
-0.24 0.96 1.1 7
-0 0.58 2.38 7
-0.16 1.34 3.3 2
-0.6164 -0.8635 0.1393 2
--1.0292 -0.2927 0.0002 1
-0.2393 0.4619 -0.9351 0
--0.6555 -0.9539 3.6902 0
-0.2242 -1.5274 2.2936 1
--1.4232 -0.9712 2.1206 1
-0.4218 2.999 1.5162 1
-0.4063 2.5988 -0.1847 1
-1.8297 2.2759 0.7759 1
-
-4 6 12
-6 11 12
-1 4 12
-1 2 4
-2 4 8
-1 2 12
-2 3 12
-2 3 8
-3 7 8
-3 10 12
-10 11 12
-4 5 6
-4 5 9
-4 8 9
-7 8 9
-5 6 11
-1 5 11
-1 10 11
-1 2 10
-2 3 10
-1 2 5
-2 5 9
-2 3 9
-3 7 9
Index: tests/Tesselations/N_N-dimethylacetamide/2/NonConvexEnvelope-N_N-dimethylacetamide.dat
===================================================================
--- tests/Tesselations/N_N-dimethylacetamide/2/NonConvexEnvelope-N_N-dimethylacetamide.dat	(revision bdedb126fe1a1073239174c61698ac3e49dc53b1)
+++ 	(revision )
@@ -1,40 +1,0 @@
-TITLE = "3D CONVEX SHELL"
-VARIABLES = "X" "Y" "Z" "U"
-ZONE T="N_N-dimethylacetamide", N=12, E=24, DATAPACKING=POINT, ZONETYPE=FETRIANGLE
-0.24 0.96 1.1 7
-0 0.58 2.38 7
-0.16 1.34 3.3 3
-0.6164 -0.8635 0.1393 2
--1.0292 -0.2927 0.0002 1
-0.2393 0.4619 -0.9351 0
--0.6555 -0.9539 3.6902 3
-0.2242 -1.5274 2.2936 0
--1.4232 -0.9712 2.1206 0
-0.4218 2.999 1.5162 1
-0.4063 2.5988 -0.1847 1
-1.8297 2.2759 0.7759 1
-
-3 10 12
-2 3 12
-1 2 12
-1 2 4
-2 4 8
-1 4 12
-4 6 12
-2 3 7
-2 3 7
-2 7 8
-2 7 9
-2 3 10
-1 2 10
-1 10 11
-1 5 11
-5 6 11
-1 2 5
-2 5 9
-6 11 12
-10 11 12
-4 5 6
-4 5 9
-4 8 9
-7 8 9
Index: tests/Tesselations/N_N-dimethylacetamide/25/NonConvexEnvelope-N_N-dimethylacetamide.dat
===================================================================
--- tests/Tesselations/N_N-dimethylacetamide/25/NonConvexEnvelope-N_N-dimethylacetamide.dat	(revision bdedb126fe1a1073239174c61698ac3e49dc53b1)
+++ 	(revision )
@@ -1,30 +1,0 @@
-TITLE = "3D CONVEX SHELL"
-VARIABLES = "X" "Y" "Z" "U"
-ZONE T="N_N-dimethylacetamide", N=10, E=16, DATAPACKING=POINT, ZONETYPE=FETRIANGLE
-0.16 1.34 3.3 0
-0.6164 -0.8635 0.1393 0
--1.0292 -0.2927 0.0002 0
-0.2393 0.4619 -0.9351 0
--0.6555 -0.9539 3.6902 0
-0.2242 -1.5274 2.2936 0
--1.4232 -0.9712 2.1206 0
-0.4218 2.999 1.5162 0
-0.4063 2.5988 -0.1847 0
-1.8297 2.2759 0.7759 0
-
-2 4 10
-4 9 10
-2 6 10
-1 6 10
-1 5 6
-1 8 10
-8 9 10
-2 3 4
-2 3 7
-2 6 7
-5 6 7
-3 4 9
-3 8 9
-3 7 8
-1 7 8
-1 5 7
Index: tests/Tesselations/N_N-dimethylacetamide/3.5/NonConvexEnvelope-N_N-dimethylacetamide.dat
===================================================================
--- tests/Tesselations/N_N-dimethylacetamide/3.5/NonConvexEnvelope-N_N-dimethylacetamide.dat	(revision bdedb126fe1a1073239174c61698ac3e49dc53b1)
+++ 	(revision )
@@ -1,38 +1,0 @@
-TITLE = "3D CONVEX SHELL"
-VARIABLES = "X" "Y" "Z" "U"
-ZONE T="N_N-dimethylacetamide", N=12, E=22, DATAPACKING=POINT, ZONETYPE=FETRIANGLE
-0.24 0.96 1.1 3
-0 0.58 2.38 6
-0.16 1.34 3.3 2
-0.6164 -0.8635 0.1393 0
--1.0292 -0.2927 0.0002 1
-0.2393 0.4619 -0.9351 0
--0.6555 -0.9539 3.6902 0
-0.2242 -1.5274 2.2936 1
--1.4232 -0.9712 2.1206 1
-0.4218 2.999 1.5162 1
-0.4063 2.5988 -0.1847 0
-1.8297 2.2759 0.7759 1
-
-4 6 12
-6 11 12
-4 8 12
-2 8 12
-2 3 12
-2 3 8
-3 7 8
-3 10 12
-10 11 12
-4 5 6
-4 5 9
-4 8 9
-7 8 9
-5 6 11
-5 10 11
-1 5 10
-1 2 10
-1 2 5
-2 5 9
-2 3 10
-2 3 9
-3 7 9
Index: tests/Tesselations/N_N-dimethylacetamide/3/NonConvexEnvelope-N_N-dimethylacetamide.dat
===================================================================
--- tests/Tesselations/N_N-dimethylacetamide/3/NonConvexEnvelope-N_N-dimethylacetamide.dat	(revision bdedb126fe1a1073239174c61698ac3e49dc53b1)
+++ 	(revision )
@@ -1,38 +1,0 @@
-TITLE = "3D CONVEX SHELL"
-VARIABLES = "X" "Y" "Z" "U"
-ZONE T="N_N-dimethylacetamide", N=12, E=22, DATAPACKING=POINT, ZONETYPE=FETRIANGLE
-0.24 0.96 1.1 4
-0 0.58 2.38 6
-0.16 1.34 3.3 2
-0.6164 -0.8635 0.1393 0
--1.0292 -0.2927 0.0002 1
-0.2393 0.4619 -0.9351 0
--0.6555 -0.9539 3.6902 0
-0.2242 -1.5274 2.2936 1
--1.4232 -0.9712 2.1206 1
-0.4218 2.999 1.5162 1
-0.4063 2.5988 -0.1847 1
-1.8297 2.2759 0.7759 1
-
-4 6 12
-6 11 12
-4 8 12
-2 8 12
-2 3 12
-2 3 8
-3 7 8
-3 10 12
-10 11 12
-4 5 6
-4 5 9
-4 8 9
-7 8 9
-5 6 11
-1 5 11
-1 10 11
-1 2 10
-1 2 5
-2 5 9
-2 3 10
-2 3 9
-3 7 9
Index: tests/Tesselations/N_N-dimethylacetamide/4/NonConvexEnvelope-N_N-dimethylacetamide.dat
===================================================================
--- tests/Tesselations/N_N-dimethylacetamide/4/NonConvexEnvelope-N_N-dimethylacetamide.dat	(revision bdedb126fe1a1073239174c61698ac3e49dc53b1)
+++ 	(revision )
@@ -1,33 +1,0 @@
-TITLE = "3D CONVEX SHELL"
-VARIABLES = "X" "Y" "Z" "U"
-ZONE T="N_N-dimethylacetamide", N=11, E=18, DATAPACKING=POINT, ZONETYPE=FETRIANGLE
-0 0.58 2.38 3
-0.16 1.34 3.3 1
-0.6164 -0.8635 0.1393 0
--1.0292 -0.2927 0.0002 0
-0.2393 0.4619 -0.9351 0
--0.6555 -0.9539 3.6902 0
-0.2242 -1.5274 2.2936 0
--1.4232 -0.9712 2.1206 1
-0.4218 2.999 1.5162 1
-0.4063 2.5988 -0.1847 0
-1.8297 2.2759 0.7759 0
-
-3 5 11
-5 10 11
-3 7 11
-2 7 11
-2 6 7
-2 9 11
-9 10 11
-3 4 5
-3 4 8
-3 7 8
-6 7 8
-4 5 10
-4 9 10
-4 8 9
-1 8 9
-1 2 9
-1 2 8
-2 6 8
Index: tests/Tesselations/N_N-dimethylacetamide/N_N-dimethylacetamide.xyz
===================================================================
--- tests/Tesselations/N_N-dimethylacetamide/N_N-dimethylacetamide.xyz	(revision bdedb126fe1a1073239174c61698ac3e49dc53b1)
+++ 	(revision )
@@ -1,17 +1,0 @@
-15
-NCI NSC 3138 NSC3138 N,N-dimethylacetamide
-C    0.0000    0.0000    0.0000
-N    0.2400    0.9600    1.1000
-C    0.0000    0.5800    2.3800
-C   -0.5000   -0.8200    2.6400
-C    0.7600    2.3000    0.7800
-O    0.1600    1.3400    3.3000
-H    0.6164   -0.8635    0.1393
-H   -1.0292   -0.2927    0.0002
-H    0.2393    0.4619   -0.9351
-H   -0.6555   -0.9539    3.6902
-H    0.2242   -1.5274    2.2936
-H   -1.4232   -0.9712    2.1206
-H    0.4218    2.9990    1.5162
-H    0.4063    2.5988   -0.1847
-H    1.8297    2.2759    0.7759
Index: tests/Tesselations/N_N-dimethylacetamide/post/NonConvexEnvelope-N_N-dimethylacetamide-1.5.dat
===================================================================
--- tests/Tesselations/N_N-dimethylacetamide/post/NonConvexEnvelope-N_N-dimethylacetamide-1.5.dat	(revision a85f4542482b1c8da1342c3250ec1e4dbcab52f1)
+++ tests/Tesselations/N_N-dimethylacetamide/post/NonConvexEnvelope-N_N-dimethylacetamide-1.5.dat	(revision a85f4542482b1c8da1342c3250ec1e4dbcab52f1)
@@ -0,0 +1,63 @@
+TITLE = "3D CONVEX SHELL"
+VARIABLES = "X" "Y" "Z" "U"
+ZONE T="N_N-dimethylacetamide", N=15, E=44, DATAPACKING=POINT, ZONETYPE=FETRIANGLE
+0 0 0 9
+0.24 0.96 1.1 10
+0 0.58 2.38 7
+-0.5 -0.82 2.64 9
+0.76 2.3 0.78 12
+0.16 1.34 3.3 3
+0.6164 -0.8635 0.1393 3
+-1.0292 -0.2927 0.0002 3
+0.2393 0.4619 -0.9351 6
+-0.6555 -0.9539 3.6902 5
+0.2242 -1.5274 2.2936 2
+-1.4232 -0.9712 2.1206 2
+0.4218 2.999 1.5162 3
+0.4063 2.5988 -0.1847 4
+1.8297 2.2759 0.7759 4
+
+5 13 15
+5 13 15
+5 14 15
+5 14 15
+5 9 14
+5 13 14
+5 13 14
+5 6 13
+2 5 6
+2 3 6
+2 5 15
+2 5 15
+2 5 9
+2 5 14
+2 5 13
+1 2 9
+1 2 9
+2 9 14
+1 7 9
+1 7 9
+1 7 8
+1 8 9
+1 8 9
+1 2 7
+1 2 8
+2 3 13
+3 6 13
+2 3 8
+3 8 12
+3 4 12
+4 10 12
+4 10 12
+4 10 11
+4 10 11
+4 11 12
+3 4 11
+3 4 10
+3 4 10
+3 6 10
+3 6 10
+2 3 7
+3 7 11
+7 8 12
+7 11 12
Index: tests/Tesselations/N_N-dimethylacetamide/post/NonConvexEnvelope-N_N-dimethylacetamide-2.5.dat
===================================================================
--- tests/Tesselations/N_N-dimethylacetamide/post/NonConvexEnvelope-N_N-dimethylacetamide-2.5.dat	(revision a85f4542482b1c8da1342c3250ec1e4dbcab52f1)
+++ tests/Tesselations/N_N-dimethylacetamide/post/NonConvexEnvelope-N_N-dimethylacetamide-2.5.dat	(revision a85f4542482b1c8da1342c3250ec1e4dbcab52f1)
@@ -0,0 +1,40 @@
+TITLE = "3D CONVEX SHELL"
+VARIABLES = "X" "Y" "Z" "U"
+ZONE T="N_N-dimethylacetamide", N=12, E=24, DATAPACKING=POINT, ZONETYPE=FETRIANGLE
+0.24 0.96 1.1 7
+0 0.58 2.38 7
+0.16 1.34 3.3 2
+0.6164 -0.8635 0.1393 2
+-1.0292 -0.2927 0.0002 1
+0.2393 0.4619 -0.9351 0
+-0.6555 -0.9539 3.6902 0
+0.2242 -1.5274 2.2936 1
+-1.4232 -0.9712 2.1206 1
+0.4218 2.999 1.5162 1
+0.4063 2.5988 -0.1847 1
+1.8297 2.2759 0.7759 1
+
+4 6 12
+6 11 12
+1 4 12
+1 2 4
+2 4 8
+1 2 12
+2 3 12
+2 3 8
+3 7 8
+3 10 12
+10 11 12
+4 5 6
+4 5 9
+4 8 9
+7 8 9
+5 6 11
+1 5 11
+1 10 11
+1 2 10
+2 3 10
+1 2 5
+2 5 9
+2 3 9
+3 7 9
Index: tests/Tesselations/N_N-dimethylacetamide/post/NonConvexEnvelope-N_N-dimethylacetamide-2.dat
===================================================================
--- tests/Tesselations/N_N-dimethylacetamide/post/NonConvexEnvelope-N_N-dimethylacetamide-2.dat	(revision a85f4542482b1c8da1342c3250ec1e4dbcab52f1)
+++ tests/Tesselations/N_N-dimethylacetamide/post/NonConvexEnvelope-N_N-dimethylacetamide-2.dat	(revision a85f4542482b1c8da1342c3250ec1e4dbcab52f1)
@@ -0,0 +1,40 @@
+TITLE = "3D CONVEX SHELL"
+VARIABLES = "X" "Y" "Z" "U"
+ZONE T="N_N-dimethylacetamide", N=12, E=24, DATAPACKING=POINT, ZONETYPE=FETRIANGLE
+0.24 0.96 1.1 7
+0 0.58 2.38 7
+0.16 1.34 3.3 3
+0.6164 -0.8635 0.1393 2
+-1.0292 -0.2927 0.0002 1
+0.2393 0.4619 -0.9351 0
+-0.6555 -0.9539 3.6902 3
+0.2242 -1.5274 2.2936 0
+-1.4232 -0.9712 2.1206 0
+0.4218 2.999 1.5162 1
+0.4063 2.5988 -0.1847 1
+1.8297 2.2759 0.7759 1
+
+3 10 12
+2 3 12
+1 2 12
+1 2 4
+2 4 8
+1 4 12
+4 6 12
+2 3 7
+2 3 7
+2 7 8
+2 7 9
+2 3 10
+1 2 10
+1 10 11
+1 5 11
+5 6 11
+1 2 5
+2 5 9
+6 11 12
+10 11 12
+4 5 6
+4 5 9
+4 8 9
+7 8 9
Index: tests/Tesselations/N_N-dimethylacetamide/post/NonConvexEnvelope-N_N-dimethylacetamide-25.dat
===================================================================
--- tests/Tesselations/N_N-dimethylacetamide/post/NonConvexEnvelope-N_N-dimethylacetamide-25.dat	(revision a85f4542482b1c8da1342c3250ec1e4dbcab52f1)
+++ tests/Tesselations/N_N-dimethylacetamide/post/NonConvexEnvelope-N_N-dimethylacetamide-25.dat	(revision a85f4542482b1c8da1342c3250ec1e4dbcab52f1)
@@ -0,0 +1,30 @@
+TITLE = "3D CONVEX SHELL"
+VARIABLES = "X" "Y" "Z" "U"
+ZONE T="N_N-dimethylacetamide", N=10, E=16, DATAPACKING=POINT, ZONETYPE=FETRIANGLE
+0.16 1.34 3.3 0
+0.6164 -0.8635 0.1393 0
+-1.0292 -0.2927 0.0002 0
+0.2393 0.4619 -0.9351 0
+-0.6555 -0.9539 3.6902 0
+0.2242 -1.5274 2.2936 0
+-1.4232 -0.9712 2.1206 0
+0.4218 2.999 1.5162 0
+0.4063 2.5988 -0.1847 0
+1.8297 2.2759 0.7759 0
+
+2 4 10
+4 9 10
+2 6 10
+1 6 10
+1 5 6
+1 8 10
+8 9 10
+2 3 4
+2 3 7
+2 6 7
+5 6 7
+3 4 9
+3 8 9
+3 7 8
+1 7 8
+1 5 7
Index: tests/Tesselations/N_N-dimethylacetamide/post/NonConvexEnvelope-N_N-dimethylacetamide-3.5.dat
===================================================================
--- tests/Tesselations/N_N-dimethylacetamide/post/NonConvexEnvelope-N_N-dimethylacetamide-3.5.dat	(revision a85f4542482b1c8da1342c3250ec1e4dbcab52f1)
+++ tests/Tesselations/N_N-dimethylacetamide/post/NonConvexEnvelope-N_N-dimethylacetamide-3.5.dat	(revision a85f4542482b1c8da1342c3250ec1e4dbcab52f1)
@@ -0,0 +1,38 @@
+TITLE = "3D CONVEX SHELL"
+VARIABLES = "X" "Y" "Z" "U"
+ZONE T="N_N-dimethylacetamide", N=12, E=22, DATAPACKING=POINT, ZONETYPE=FETRIANGLE
+0.24 0.96 1.1 3
+0 0.58 2.38 6
+0.16 1.34 3.3 2
+0.6164 -0.8635 0.1393 0
+-1.0292 -0.2927 0.0002 1
+0.2393 0.4619 -0.9351 0
+-0.6555 -0.9539 3.6902 0
+0.2242 -1.5274 2.2936 1
+-1.4232 -0.9712 2.1206 1
+0.4218 2.999 1.5162 1
+0.4063 2.5988 -0.1847 0
+1.8297 2.2759 0.7759 1
+
+4 6 12
+6 11 12
+4 8 12
+2 8 12
+2 3 12
+2 3 8
+3 7 8
+3 10 12
+10 11 12
+4 5 6
+4 5 9
+4 8 9
+7 8 9
+5 6 11
+5 10 11
+1 5 10
+1 2 10
+1 2 5
+2 5 9
+2 3 10
+2 3 9
+3 7 9
Index: tests/Tesselations/N_N-dimethylacetamide/post/NonConvexEnvelope-N_N-dimethylacetamide-3.dat
===================================================================
--- tests/Tesselations/N_N-dimethylacetamide/post/NonConvexEnvelope-N_N-dimethylacetamide-3.dat	(revision a85f4542482b1c8da1342c3250ec1e4dbcab52f1)
+++ tests/Tesselations/N_N-dimethylacetamide/post/NonConvexEnvelope-N_N-dimethylacetamide-3.dat	(revision a85f4542482b1c8da1342c3250ec1e4dbcab52f1)
@@ -0,0 +1,38 @@
+TITLE = "3D CONVEX SHELL"
+VARIABLES = "X" "Y" "Z" "U"
+ZONE T="N_N-dimethylacetamide", N=12, E=22, DATAPACKING=POINT, ZONETYPE=FETRIANGLE
+0.24 0.96 1.1 4
+0 0.58 2.38 6
+0.16 1.34 3.3 2
+0.6164 -0.8635 0.1393 0
+-1.0292 -0.2927 0.0002 1
+0.2393 0.4619 -0.9351 0
+-0.6555 -0.9539 3.6902 0
+0.2242 -1.5274 2.2936 1
+-1.4232 -0.9712 2.1206 1
+0.4218 2.999 1.5162 1
+0.4063 2.5988 -0.1847 1
+1.8297 2.2759 0.7759 1
+
+4 6 12
+6 11 12
+4 8 12
+2 8 12
+2 3 12
+2 3 8
+3 7 8
+3 10 12
+10 11 12
+4 5 6
+4 5 9
+4 8 9
+7 8 9
+5 6 11
+1 5 11
+1 10 11
+1 2 10
+1 2 5
+2 5 9
+2 3 10
+2 3 9
+3 7 9
Index: tests/Tesselations/N_N-dimethylacetamide/post/NonConvexEnvelope-N_N-dimethylacetamide-4.dat
===================================================================
--- tests/Tesselations/N_N-dimethylacetamide/post/NonConvexEnvelope-N_N-dimethylacetamide-4.dat	(revision a85f4542482b1c8da1342c3250ec1e4dbcab52f1)
+++ tests/Tesselations/N_N-dimethylacetamide/post/NonConvexEnvelope-N_N-dimethylacetamide-4.dat	(revision a85f4542482b1c8da1342c3250ec1e4dbcab52f1)
@@ -0,0 +1,33 @@
+TITLE = "3D CONVEX SHELL"
+VARIABLES = "X" "Y" "Z" "U"
+ZONE T="N_N-dimethylacetamide", N=11, E=18, DATAPACKING=POINT, ZONETYPE=FETRIANGLE
+0 0.58 2.38 3
+0.16 1.34 3.3 1
+0.6164 -0.8635 0.1393 0
+-1.0292 -0.2927 0.0002 0
+0.2393 0.4619 -0.9351 0
+-0.6555 -0.9539 3.6902 0
+0.2242 -1.5274 2.2936 0
+-1.4232 -0.9712 2.1206 1
+0.4218 2.999 1.5162 1
+0.4063 2.5988 -0.1847 0
+1.8297 2.2759 0.7759 0
+
+3 5 11
+5 10 11
+3 7 11
+2 7 11
+2 6 7
+2 9 11
+9 10 11
+3 4 5
+3 4 8
+3 7 8
+6 7 8
+4 5 10
+4 9 10
+4 8 9
+1 8 9
+1 2 9
+1 2 8
+2 6 8
Index: tests/Tesselations/N_N-dimethylacetamide/pre/N_N-dimethylacetamide.xyz
===================================================================
--- tests/Tesselations/N_N-dimethylacetamide/pre/N_N-dimethylacetamide.xyz	(revision a85f4542482b1c8da1342c3250ec1e4dbcab52f1)
+++ tests/Tesselations/N_N-dimethylacetamide/pre/N_N-dimethylacetamide.xyz	(revision a85f4542482b1c8da1342c3250ec1e4dbcab52f1)
@@ -0,0 +1,17 @@
+15
+NCI NSC 3138 NSC3138 N,N-dimethylacetamide
+C    0.0000    0.0000    0.0000
+N    0.2400    0.9600    1.1000
+C    0.0000    0.5800    2.3800
+C   -0.5000   -0.8200    2.6400
+C    0.7600    2.3000    0.7800
+O    0.1600    1.3400    3.3000
+H    0.6164   -0.8635    0.1393
+H   -1.0292   -0.2927    0.0002
+H    0.2393    0.4619   -0.9351
+H   -0.6555   -0.9539    3.6902
+H    0.2242   -1.5274    2.2936
+H   -1.4232   -0.9712    2.1206
+H    0.4218    2.9990    1.5162
+H    0.4063    2.5988   -0.1847
+H    1.8297    2.2759    0.7759
Index: tests/Tesselations/N_N-dimethylacetamide/testsuite-N_N-dimethylacetamide.at
===================================================================
--- tests/Tesselations/N_N-dimethylacetamide/testsuite-N_N-dimethylacetamide.at	(revision a85f4542482b1c8da1342c3250ec1e4dbcab52f1)
+++ tests/Tesselations/N_N-dimethylacetamide/testsuite-N_N-dimethylacetamide.at	(revision a85f4542482b1c8da1342c3250ec1e4dbcab52f1)
@@ -0,0 +1,23 @@
+### N_N-dimethylacetamide
+
+AT_SETUP([Tesselations - N_N-dimethylacetamide])
+AT_KEYWORDS([tesselation non-convex-envelope])
+
+mol=N_N-dimethylacetamide
+
+file=${mol}.xyz
+AT_CHECK([/bin/cp -f ${abs_top_srcdir}/${AUTOTEST_PATH}/${mol}/pre/$file $file], 0)
+AT_CHECK([chmod u+w $file], 0)
+
+for RADIUS in  1.5 2 2.5 3 3.5 4 25; do
+	output=NonConvexEnvelope-${mol}-${RADIUS}.dat
+	AT_CHECK([../../molecuilder -i $file --select-molecule-by-id 0 -N ${RADIUS} --nonconvex-file $output], 0, [stdout], [stderr])
+	AT_CHECK([grep -E "^[0-9]* [0-9]* [0-9]*$" ${abs_top_srcdir}/${AUTOTEST_PATH}/${mol}/post/$output | sort -n >reference-triangles.dat], 0, [ignore], [ignore])
+	AT_CHECK([grep -E "^[0-9]* [0-9]* [0-9]*$" $output | sort -n >new-triangles.dat], 0, [ignore], [ignore])
+	AT_CHECK([diff reference-triangles.dat new-triangles.dat], 0, [ignore], [ignore])
+done
+
+AT_CLEANUP
+
+
+
