Index: tests/Tesselations/heptan/1.5/NonConvexEnvelope-heptan.dat
===================================================================
--- tests/Tesselations/heptan/1.5/NonConvexEnvelope-heptan.dat	(revision a8a010e328f77377ca5cf5d0610c43e918811836)
+++ 	(revision )
@@ -1,91 +1,0 @@
-TITLE = "3D CONVEX SHELL"
-VARIABLES = "X" "Y" "Z" "U"
-ZONE T="none", N=23, E=64, DATAPACKING=POINT, ZONETYPE=FETRIANGLE
--7.27e-07 -1.22006 0.930455 18.7229
--7.27e-07 -1.22006 -0.849545 18.7229
--1.2492 0.921941 0.930455 18.7227
--1.2492 0.921941 -0.849545 18.7227
-1.2492 0.921941 -0.849545 18.7222
-1.2492 0.921941 0.930455 18.7222
--2.4985 -1.22006 -0.849545 19.9769
--2.4985 -1.22006 0.930455 19.9769
-2.4985 -1.22006 0.930455 27.4727
-2.4985 -1.22006 -0.849545 27.4727
--4.6377 -0.336759 0.0404545 21.541
--3.7477 0.921941 0.930455 18.8853
--3.7477 0.921941 -0.849545 18.8853
-4.6377 -0.336759 0.0404545 10.6618
-3.7477 0.921941 -0.849545 18.5406
-3.7477 0.921941 0.930455 18.5406
--7.27e-07 -0.590759 0.0404545 23.0174
--1.2492 0.292641 0.0404545 23.0167
-1.2492 0.292641 0.0404545 23.0172
--2.4985 -0.590759 0.0404545 21.8516
-2.4985 -0.590759 0.0404545 16.0669
--3.7477 0.292641 0.0404545 39.5267
-3.7477 0.292641 0.0404545 20.5497
-
-14 15 23
-14 15 23
-10 14 23
-10 15 23
-15 16 23
-15 16 23
-15 19 23
-5 15 19
-16 19 23
-6 16 19
-5 6 19
-5 6 19
-5 18 19
-4 5 18
-6 18 19
-3 6 18
-3 4 18
-3 4 18
-3 18 22
-3 12 22
-4 18 22
-4 13 22
-12 13 22
-12 13 22
-11 12 22
-11 12 22
-8 11 22
-8 12 22
-11 13 22
-11 13 22
-7 11 22
-7 13 22
-14 16 23
-14 16 23
-9 14 23
-9 16 23
-3 8 12
-1 3 8
-1 3 6
-1 6 9
-6 9 16
-4 7 13
-2 4 7
-2 4 5
-2 5 10
-5 10 15
-10 14 21
-9 10 21
-9 10 21
-9 14 21
-9 17 21
-1 9 17
-1 2 17
-1 2 17
-10 17 21
-2 10 17
-1 17 20
-1 8 20
-7 8 20
-7 8 20
-8 11 20
-7 11 20
-2 17 20
-2 7 20
Index: tests/Tesselations/heptan/2.5/NonConvexEnvelope-heptan.dat
===================================================================
--- tests/Tesselations/heptan/2.5/NonConvexEnvelope-heptan.dat	(revision a8a010e328f77377ca5cf5d0610c43e918811836)
+++ 	(revision )
@@ -1,48 +1,0 @@
-TITLE = "3D CONVEX SHELL"
-VARIABLES = "X" "Y" "Z" "U"
-ZONE T="heptan", N=16, E=28, DATAPACKING=POINT, ZONETYPE=FETRIANGLE
--7.27e-07 -1.22006 0.930455 -17.4952
--7.27e-07 -1.22006 -0.849545 -17.4952
--1.2492 0.921941 0.930455 -19.6818
--1.2492 0.921941 -0.849545 -15.323
-1.2492 0.921941 -0.849545 -17.495
-1.2492 0.921941 0.930455 -17.4951
--2.4985 -1.22006 -0.849545 -13.1263
--2.4985 -1.22006 0.930455 -10.8961
-2.4985 -1.22006 0.930455 -13.1263
-2.4985 -1.22006 -0.849545 -10.8961
--4.6377 -0.336759 0.0404545 -9.35471
--3.7477 0.921941 0.930455 -9.24444
--3.7477 0.921941 -0.849545 -11.4805
-4.6377 -0.336759 0.0404545 -9.35473
-3.7477 0.921941 -0.849545 -11.4805
-3.7477 0.921941 0.930455 -9.24445
-
-14 15 16
-6 15 16
-5 6 15
-3 5 6
-3 4 5
-3 4 13
-3 12 13
-11 12 13
-7 11 13
-4 7 13
-2 4 7
-2 4 5
-2 5 10
-5 10 15
-10 14 15
-9 10 14
-2 9 10
-1 2 9
-1 2 7
-1 7 8
-7 8 11
-9 14 16
-6 9 16
-1 6 9
-1 3 6
-1 3 8
-3 8 12
-8 11 12
Index: tests/Tesselations/heptan/2/NonConvexEnvelope-heptan.dat
===================================================================
--- tests/Tesselations/heptan/2/NonConvexEnvelope-heptan.dat	(revision a8a010e328f77377ca5cf5d0610c43e918811836)
+++ 	(revision )
@@ -1,48 +1,0 @@
-TITLE = "3D CONVEX SHELL"
-VARIABLES = "X" "Y" "Z" "U"
-ZONE T="heptan", N=16, E=28, DATAPACKING=POINT, ZONETYPE=FETRIANGLE
--7.27e-07 -1.22006 0.930455 -17.4952
--7.27e-07 -1.22006 -0.849545 -17.4952
--1.2492 0.921941 0.930455 -19.6818
--1.2492 0.921941 -0.849545 -15.323
-1.2492 0.921941 -0.849545 -17.495
-1.2492 0.921941 0.930455 -17.4951
--2.4985 -1.22006 -0.849545 -13.1263
--2.4985 -1.22006 0.930455 -10.8961
-2.4985 -1.22006 0.930455 -13.1263
-2.4985 -1.22006 -0.849545 -10.8961
--4.6377 -0.336759 0.0404545 -9.35471
--3.7477 0.921941 0.930455 -9.24444
--3.7477 0.921941 -0.849545 -11.4805
-4.6377 -0.336759 0.0404545 -9.35473
-3.7477 0.921941 -0.849545 -11.4805
-3.7477 0.921941 0.930455 -9.24445
-
-14 15 16
-6 15 16
-5 6 15
-3 5 6
-3 4 5
-3 4 13
-3 12 13
-11 12 13
-7 11 13
-4 7 13
-2 4 7
-2 4 5
-2 5 10
-5 10 15
-10 14 15
-9 10 14
-2 9 10
-1 2 9
-1 2 7
-1 7 8
-7 8 11
-9 14 16
-6 9 16
-1 6 9
-1 3 6
-1 3 8
-3 8 12
-8 11 12
Index: tests/Tesselations/heptan/25/NonConvexEnvelope-heptan.dat
===================================================================
--- tests/Tesselations/heptan/25/NonConvexEnvelope-heptan.dat	(revision a8a010e328f77377ca5cf5d0610c43e918811836)
+++ 	(revision )
@@ -1,48 +1,0 @@
-TITLE = "3D CONVEX SHELL"
-VARIABLES = "X" "Y" "Z" "U"
-ZONE T="heptan", N=16, E=28, DATAPACKING=POINT, ZONETYPE=FETRIANGLE
--7.27e-07 -1.22006 0.930455 -17.4952
--7.27e-07 -1.22006 -0.849545 -17.4952
--1.2492 0.921941 0.930455 -19.6818
--1.2492 0.921941 -0.849545 -15.323
-1.2492 0.921941 -0.849545 -17.495
-1.2492 0.921941 0.930455 -17.4951
--2.4985 -1.22006 -0.849545 -13.1263
--2.4985 -1.22006 0.930455 -10.8961
-2.4985 -1.22006 0.930455 -13.1263
-2.4985 -1.22006 -0.849545 -10.8961
--4.6377 -0.336759 0.0404545 -9.35471
--3.7477 0.921941 0.930455 -9.24444
--3.7477 0.921941 -0.849545 -11.4805
-4.6377 -0.336759 0.0404545 -9.35473
-3.7477 0.921941 -0.849545 -11.4805
-3.7477 0.921941 0.930455 -9.24445
-
-14 15 16
-6 15 16
-5 6 15
-3 5 6
-3 4 5
-3 4 13
-3 12 13
-11 12 13
-7 11 13
-4 7 13
-2 4 7
-2 4 5
-2 5 10
-5 10 15
-10 14 15
-9 10 14
-2 9 10
-1 2 9
-1 2 7
-1 7 8
-7 8 11
-9 14 16
-6 9 16
-1 6 9
-1 3 6
-1 3 8
-3 8 12
-8 11 12
Index: tests/Tesselations/heptan/3.5/NonConvexEnvelope-heptan.dat
===================================================================
--- tests/Tesselations/heptan/3.5/NonConvexEnvelope-heptan.dat	(revision a8a010e328f77377ca5cf5d0610c43e918811836)
+++ 	(revision )
@@ -1,48 +1,0 @@
-TITLE = "3D CONVEX SHELL"
-VARIABLES = "X" "Y" "Z" "U"
-ZONE T="heptan", N=16, E=28, DATAPACKING=POINT, ZONETYPE=FETRIANGLE
--7.27e-07 -1.22006 0.930455 -17.4952
--7.27e-07 -1.22006 -0.849545 -17.4952
--1.2492 0.921941 0.930455 -19.6818
--1.2492 0.921941 -0.849545 -15.323
-1.2492 0.921941 -0.849545 -17.495
-1.2492 0.921941 0.930455 -17.4951
--2.4985 -1.22006 -0.849545 -13.1263
--2.4985 -1.22006 0.930455 -10.8961
-2.4985 -1.22006 0.930455 -13.1263
-2.4985 -1.22006 -0.849545 -10.8961
--4.6377 -0.336759 0.0404545 -9.35471
--3.7477 0.921941 0.930455 -9.24444
--3.7477 0.921941 -0.849545 -11.4805
-4.6377 -0.336759 0.0404545 -9.35473
-3.7477 0.921941 -0.849545 -11.4805
-3.7477 0.921941 0.930455 -9.24445
-
-14 15 16
-6 15 16
-5 6 15
-3 5 6
-3 4 5
-3 4 13
-3 12 13
-11 12 13
-7 11 13
-4 7 13
-2 4 7
-2 4 5
-2 5 10
-5 10 15
-10 14 15
-9 10 14
-2 9 10
-1 2 9
-1 2 7
-1 7 8
-7 8 11
-9 14 16
-6 9 16
-1 6 9
-1 3 6
-1 3 8
-3 8 12
-8 11 12
Index: tests/Tesselations/heptan/3/NonConvexEnvelope-heptan.dat
===================================================================
--- tests/Tesselations/heptan/3/NonConvexEnvelope-heptan.dat	(revision a8a010e328f77377ca5cf5d0610c43e918811836)
+++ 	(revision )
@@ -1,48 +1,0 @@
-TITLE = "3D CONVEX SHELL"
-VARIABLES = "X" "Y" "Z" "U"
-ZONE T="heptan", N=16, E=28, DATAPACKING=POINT, ZONETYPE=FETRIANGLE
--7.27e-07 -1.22006 0.930455 -17.4952
--7.27e-07 -1.22006 -0.849545 -17.4952
--1.2492 0.921941 0.930455 -19.6818
--1.2492 0.921941 -0.849545 -15.323
-1.2492 0.921941 -0.849545 -17.495
-1.2492 0.921941 0.930455 -17.4951
--2.4985 -1.22006 -0.849545 -13.1263
--2.4985 -1.22006 0.930455 -10.8961
-2.4985 -1.22006 0.930455 -13.1263
-2.4985 -1.22006 -0.849545 -10.8961
--4.6377 -0.336759 0.0404545 -9.35471
--3.7477 0.921941 0.930455 -9.24444
--3.7477 0.921941 -0.849545 -11.4805
-4.6377 -0.336759 0.0404545 -9.35473
-3.7477 0.921941 -0.849545 -11.4805
-3.7477 0.921941 0.930455 -9.24445
-
-14 15 16
-6 15 16
-5 6 15
-3 5 6
-3 4 5
-3 4 13
-3 12 13
-11 12 13
-7 11 13
-4 7 13
-2 4 7
-2 4 5
-2 5 10
-5 10 15
-10 14 15
-9 10 14
-2 9 10
-1 2 9
-1 2 7
-1 7 8
-7 8 11
-9 14 16
-6 9 16
-1 6 9
-1 3 6
-1 3 8
-3 8 12
-8 11 12
Index: tests/Tesselations/heptan/4/NonConvexEnvelope-heptan.dat
===================================================================
--- tests/Tesselations/heptan/4/NonConvexEnvelope-heptan.dat	(revision a8a010e328f77377ca5cf5d0610c43e918811836)
+++ 	(revision )
@@ -1,48 +1,0 @@
-TITLE = "3D CONVEX SHELL"
-VARIABLES = "X" "Y" "Z" "U"
-ZONE T="heptan", N=16, E=28, DATAPACKING=POINT, ZONETYPE=FETRIANGLE
--7.27e-07 -1.22006 0.930455 -17.4952
--7.27e-07 -1.22006 -0.849545 -17.4952
--1.2492 0.921941 0.930455 -19.6818
--1.2492 0.921941 -0.849545 -15.323
-1.2492 0.921941 -0.849545 -17.495
-1.2492 0.921941 0.930455 -17.4951
--2.4985 -1.22006 -0.849545 -13.1263
--2.4985 -1.22006 0.930455 -10.8961
-2.4985 -1.22006 0.930455 -13.1263
-2.4985 -1.22006 -0.849545 -10.8961
--4.6377 -0.336759 0.0404545 -9.35471
--3.7477 0.921941 0.930455 -9.24444
--3.7477 0.921941 -0.849545 -11.4805
-4.6377 -0.336759 0.0404545 -9.35473
-3.7477 0.921941 -0.849545 -11.4805
-3.7477 0.921941 0.930455 -9.24445
-
-14 15 16
-6 15 16
-5 6 15
-3 5 6
-3 4 5
-3 4 13
-3 12 13
-11 12 13
-7 11 13
-4 7 13
-2 4 7
-2 4 5
-2 5 10
-5 10 15
-10 14 15
-9 10 14
-2 9 10
-1 2 9
-1 2 7
-1 7 8
-7 8 11
-9 14 16
-6 9 16
-1 6 9
-1 3 6
-1 3 8
-3 8 12
-8 11 12
Index: tests/Tesselations/heptan/heptan.xyz
===================================================================
--- tests/Tesselations/heptan/heptan.xyz	(revision a8a010e328f77377ca5cf5d0610c43e918811836)
+++ 	(revision )
@@ -1,25 +1,0 @@
-23
-	Created by molecuilder on Mon Jul 28 11:56:27 2008
-H	-0.000000727	-1.220059091	0.930454545	
-H	-0.000000727	-1.220059091	-0.849545455	
-H	-1.249200727	0.921940909	0.930454545	
-H	-1.249200727	0.921940909	-0.849545455	
-H	1.249199273	0.921940909	-0.849545455	
-H	1.249199273	0.921940909	0.930454545	
-H	-2.498500727	-1.220059091	-0.849545455	
-H	-2.498500727	-1.220059091	0.930454545	
-H	2.498499273	-1.220059091	0.930454545	
-H	2.498499273	-1.220059091	-0.849545455	
-H	-4.637700727	-0.336759091	0.040454545	
-H	-3.747700727	0.921940909	0.930454545	
-H	-3.747700727	0.921940909	-0.849545455	
-H	4.637703273	-0.336759091	0.040454545	
-H	3.747703273	0.921940909	-0.849545455	
-H	3.747703273	0.921940909	0.930454545	
-C	-0.000000727	-0.590759091	0.040454545	
-C	-1.249200727	0.292640909	0.040454545	
-C	1.249199273	0.292640909	0.040454545	
-C	-2.498500727	-0.590759091	0.040454545	
-C	2.498499273	-0.590759091	0.040454545	
-C	-3.747700727	0.292640909	0.040454545	
-C	3.747703273	0.292640909	0.040454545	
Index: tests/Tesselations/heptan/post/NonConvexEnvelope-heptan-1.5.dat
===================================================================
--- tests/Tesselations/heptan/post/NonConvexEnvelope-heptan-1.5.dat	(revision a85f4542482b1c8da1342c3250ec1e4dbcab52f1)
+++ tests/Tesselations/heptan/post/NonConvexEnvelope-heptan-1.5.dat	(revision a85f4542482b1c8da1342c3250ec1e4dbcab52f1)
@@ -0,0 +1,91 @@
+TITLE = "3D CONVEX SHELL"
+VARIABLES = "X" "Y" "Z" "U"
+ZONE T="none", N=23, E=64, DATAPACKING=POINT, ZONETYPE=FETRIANGLE
+-7.27e-07 -1.22006 0.930455 18.7229
+-7.27e-07 -1.22006 -0.849545 18.7229
+-1.2492 0.921941 0.930455 18.7227
+-1.2492 0.921941 -0.849545 18.7227
+1.2492 0.921941 -0.849545 18.7222
+1.2492 0.921941 0.930455 18.7222
+-2.4985 -1.22006 -0.849545 19.9769
+-2.4985 -1.22006 0.930455 19.9769
+2.4985 -1.22006 0.930455 27.4727
+2.4985 -1.22006 -0.849545 27.4727
+-4.6377 -0.336759 0.0404545 21.541
+-3.7477 0.921941 0.930455 18.8853
+-3.7477 0.921941 -0.849545 18.8853
+4.6377 -0.336759 0.0404545 10.6618
+3.7477 0.921941 -0.849545 18.5406
+3.7477 0.921941 0.930455 18.5406
+-7.27e-07 -0.590759 0.0404545 23.0174
+-1.2492 0.292641 0.0404545 23.0167
+1.2492 0.292641 0.0404545 23.0172
+-2.4985 -0.590759 0.0404545 21.8516
+2.4985 -0.590759 0.0404545 16.0669
+-3.7477 0.292641 0.0404545 39.5267
+3.7477 0.292641 0.0404545 20.5497
+
+14 15 23
+14 15 23
+10 14 23
+10 15 23
+15 16 23
+15 16 23
+15 19 23
+5 15 19
+16 19 23
+6 16 19
+5 6 19
+5 6 19
+5 18 19
+4 5 18
+6 18 19
+3 6 18
+3 4 18
+3 4 18
+3 18 22
+3 12 22
+4 18 22
+4 13 22
+12 13 22
+12 13 22
+11 12 22
+11 12 22
+8 11 22
+8 12 22
+11 13 22
+11 13 22
+7 11 22
+7 13 22
+14 16 23
+14 16 23
+9 14 23
+9 16 23
+3 8 12
+1 3 8
+1 3 6
+1 6 9
+6 9 16
+4 7 13
+2 4 7
+2 4 5
+2 5 10
+5 10 15
+10 14 21
+9 10 21
+9 10 21
+9 14 21
+9 17 21
+1 9 17
+1 2 17
+1 2 17
+10 17 21
+2 10 17
+1 17 20
+1 8 20
+7 8 20
+7 8 20
+8 11 20
+7 11 20
+2 17 20
+2 7 20
Index: tests/Tesselations/heptan/post/NonConvexEnvelope-heptan-2.5.dat
===================================================================
--- tests/Tesselations/heptan/post/NonConvexEnvelope-heptan-2.5.dat	(revision a85f4542482b1c8da1342c3250ec1e4dbcab52f1)
+++ tests/Tesselations/heptan/post/NonConvexEnvelope-heptan-2.5.dat	(revision a85f4542482b1c8da1342c3250ec1e4dbcab52f1)
@@ -0,0 +1,48 @@
+TITLE = "3D CONVEX SHELL"
+VARIABLES = "X" "Y" "Z" "U"
+ZONE T="heptan", N=16, E=28, DATAPACKING=POINT, ZONETYPE=FETRIANGLE
+-7.27e-07 -1.22006 0.930455 -17.4952
+-7.27e-07 -1.22006 -0.849545 -17.4952
+-1.2492 0.921941 0.930455 -19.6818
+-1.2492 0.921941 -0.849545 -15.323
+1.2492 0.921941 -0.849545 -17.495
+1.2492 0.921941 0.930455 -17.4951
+-2.4985 -1.22006 -0.849545 -13.1263
+-2.4985 -1.22006 0.930455 -10.8961
+2.4985 -1.22006 0.930455 -13.1263
+2.4985 -1.22006 -0.849545 -10.8961
+-4.6377 -0.336759 0.0404545 -9.35471
+-3.7477 0.921941 0.930455 -9.24444
+-3.7477 0.921941 -0.849545 -11.4805
+4.6377 -0.336759 0.0404545 -9.35473
+3.7477 0.921941 -0.849545 -11.4805
+3.7477 0.921941 0.930455 -9.24445
+
+14 15 16
+6 15 16
+5 6 15
+3 5 6
+3 4 5
+3 4 13
+3 12 13
+11 12 13
+7 11 13
+4 7 13
+2 4 7
+2 4 5
+2 5 10
+5 10 15
+10 14 15
+9 10 14
+2 9 10
+1 2 9
+1 2 7
+1 7 8
+7 8 11
+9 14 16
+6 9 16
+1 6 9
+1 3 6
+1 3 8
+3 8 12
+8 11 12
Index: tests/Tesselations/heptan/post/NonConvexEnvelope-heptan-2.dat
===================================================================
--- tests/Tesselations/heptan/post/NonConvexEnvelope-heptan-2.dat	(revision a85f4542482b1c8da1342c3250ec1e4dbcab52f1)
+++ tests/Tesselations/heptan/post/NonConvexEnvelope-heptan-2.dat	(revision a85f4542482b1c8da1342c3250ec1e4dbcab52f1)
@@ -0,0 +1,48 @@
+TITLE = "3D CONVEX SHELL"
+VARIABLES = "X" "Y" "Z" "U"
+ZONE T="heptan", N=16, E=28, DATAPACKING=POINT, ZONETYPE=FETRIANGLE
+-7.27e-07 -1.22006 0.930455 -17.4952
+-7.27e-07 -1.22006 -0.849545 -17.4952
+-1.2492 0.921941 0.930455 -19.6818
+-1.2492 0.921941 -0.849545 -15.323
+1.2492 0.921941 -0.849545 -17.495
+1.2492 0.921941 0.930455 -17.4951
+-2.4985 -1.22006 -0.849545 -13.1263
+-2.4985 -1.22006 0.930455 -10.8961
+2.4985 -1.22006 0.930455 -13.1263
+2.4985 -1.22006 -0.849545 -10.8961
+-4.6377 -0.336759 0.0404545 -9.35471
+-3.7477 0.921941 0.930455 -9.24444
+-3.7477 0.921941 -0.849545 -11.4805
+4.6377 -0.336759 0.0404545 -9.35473
+3.7477 0.921941 -0.849545 -11.4805
+3.7477 0.921941 0.930455 -9.24445
+
+14 15 16
+6 15 16
+5 6 15
+3 5 6
+3 4 5
+3 4 13
+3 12 13
+11 12 13
+7 11 13
+4 7 13
+2 4 7
+2 4 5
+2 5 10
+5 10 15
+10 14 15
+9 10 14
+2 9 10
+1 2 9
+1 2 7
+1 7 8
+7 8 11
+9 14 16
+6 9 16
+1 6 9
+1 3 6
+1 3 8
+3 8 12
+8 11 12
Index: tests/Tesselations/heptan/post/NonConvexEnvelope-heptan-25.dat
===================================================================
--- tests/Tesselations/heptan/post/NonConvexEnvelope-heptan-25.dat	(revision a85f4542482b1c8da1342c3250ec1e4dbcab52f1)
+++ tests/Tesselations/heptan/post/NonConvexEnvelope-heptan-25.dat	(revision a85f4542482b1c8da1342c3250ec1e4dbcab52f1)
@@ -0,0 +1,48 @@
+TITLE = "3D CONVEX SHELL"
+VARIABLES = "X" "Y" "Z" "U"
+ZONE T="heptan", N=16, E=28, DATAPACKING=POINT, ZONETYPE=FETRIANGLE
+-7.27e-07 -1.22006 0.930455 -17.4952
+-7.27e-07 -1.22006 -0.849545 -17.4952
+-1.2492 0.921941 0.930455 -19.6818
+-1.2492 0.921941 -0.849545 -15.323
+1.2492 0.921941 -0.849545 -17.495
+1.2492 0.921941 0.930455 -17.4951
+-2.4985 -1.22006 -0.849545 -13.1263
+-2.4985 -1.22006 0.930455 -10.8961
+2.4985 -1.22006 0.930455 -13.1263
+2.4985 -1.22006 -0.849545 -10.8961
+-4.6377 -0.336759 0.0404545 -9.35471
+-3.7477 0.921941 0.930455 -9.24444
+-3.7477 0.921941 -0.849545 -11.4805
+4.6377 -0.336759 0.0404545 -9.35473
+3.7477 0.921941 -0.849545 -11.4805
+3.7477 0.921941 0.930455 -9.24445
+
+14 15 16
+6 15 16
+5 6 15
+3 5 6
+3 4 5
+3 4 13
+3 12 13
+11 12 13
+7 11 13
+4 7 13
+2 4 7
+2 4 5
+2 5 10
+5 10 15
+10 14 15
+9 10 14
+2 9 10
+1 2 9
+1 2 7
+1 7 8
+7 8 11
+9 14 16
+6 9 16
+1 6 9
+1 3 6
+1 3 8
+3 8 12
+8 11 12
Index: tests/Tesselations/heptan/post/NonConvexEnvelope-heptan-3.5.dat
===================================================================
--- tests/Tesselations/heptan/post/NonConvexEnvelope-heptan-3.5.dat	(revision a85f4542482b1c8da1342c3250ec1e4dbcab52f1)
+++ tests/Tesselations/heptan/post/NonConvexEnvelope-heptan-3.5.dat	(revision a85f4542482b1c8da1342c3250ec1e4dbcab52f1)
@@ -0,0 +1,48 @@
+TITLE = "3D CONVEX SHELL"
+VARIABLES = "X" "Y" "Z" "U"
+ZONE T="heptan", N=16, E=28, DATAPACKING=POINT, ZONETYPE=FETRIANGLE
+-7.27e-07 -1.22006 0.930455 -17.4952
+-7.27e-07 -1.22006 -0.849545 -17.4952
+-1.2492 0.921941 0.930455 -19.6818
+-1.2492 0.921941 -0.849545 -15.323
+1.2492 0.921941 -0.849545 -17.495
+1.2492 0.921941 0.930455 -17.4951
+-2.4985 -1.22006 -0.849545 -13.1263
+-2.4985 -1.22006 0.930455 -10.8961
+2.4985 -1.22006 0.930455 -13.1263
+2.4985 -1.22006 -0.849545 -10.8961
+-4.6377 -0.336759 0.0404545 -9.35471
+-3.7477 0.921941 0.930455 -9.24444
+-3.7477 0.921941 -0.849545 -11.4805
+4.6377 -0.336759 0.0404545 -9.35473
+3.7477 0.921941 -0.849545 -11.4805
+3.7477 0.921941 0.930455 -9.24445
+
+14 15 16
+6 15 16
+5 6 15
+3 5 6
+3 4 5
+3 4 13
+3 12 13
+11 12 13
+7 11 13
+4 7 13
+2 4 7
+2 4 5
+2 5 10
+5 10 15
+10 14 15
+9 10 14
+2 9 10
+1 2 9
+1 2 7
+1 7 8
+7 8 11
+9 14 16
+6 9 16
+1 6 9
+1 3 6
+1 3 8
+3 8 12
+8 11 12
Index: tests/Tesselations/heptan/post/NonConvexEnvelope-heptan-3.dat
===================================================================
--- tests/Tesselations/heptan/post/NonConvexEnvelope-heptan-3.dat	(revision a85f4542482b1c8da1342c3250ec1e4dbcab52f1)
+++ tests/Tesselations/heptan/post/NonConvexEnvelope-heptan-3.dat	(revision a85f4542482b1c8da1342c3250ec1e4dbcab52f1)
@@ -0,0 +1,48 @@
+TITLE = "3D CONVEX SHELL"
+VARIABLES = "X" "Y" "Z" "U"
+ZONE T="heptan", N=16, E=28, DATAPACKING=POINT, ZONETYPE=FETRIANGLE
+-7.27e-07 -1.22006 0.930455 -17.4952
+-7.27e-07 -1.22006 -0.849545 -17.4952
+-1.2492 0.921941 0.930455 -19.6818
+-1.2492 0.921941 -0.849545 -15.323
+1.2492 0.921941 -0.849545 -17.495
+1.2492 0.921941 0.930455 -17.4951
+-2.4985 -1.22006 -0.849545 -13.1263
+-2.4985 -1.22006 0.930455 -10.8961
+2.4985 -1.22006 0.930455 -13.1263
+2.4985 -1.22006 -0.849545 -10.8961
+-4.6377 -0.336759 0.0404545 -9.35471
+-3.7477 0.921941 0.930455 -9.24444
+-3.7477 0.921941 -0.849545 -11.4805
+4.6377 -0.336759 0.0404545 -9.35473
+3.7477 0.921941 -0.849545 -11.4805
+3.7477 0.921941 0.930455 -9.24445
+
+14 15 16
+6 15 16
+5 6 15
+3 5 6
+3 4 5
+3 4 13
+3 12 13
+11 12 13
+7 11 13
+4 7 13
+2 4 7
+2 4 5
+2 5 10
+5 10 15
+10 14 15
+9 10 14
+2 9 10
+1 2 9
+1 2 7
+1 7 8
+7 8 11
+9 14 16
+6 9 16
+1 6 9
+1 3 6
+1 3 8
+3 8 12
+8 11 12
Index: tests/Tesselations/heptan/post/NonConvexEnvelope-heptan-4.dat
===================================================================
--- tests/Tesselations/heptan/post/NonConvexEnvelope-heptan-4.dat	(revision a85f4542482b1c8da1342c3250ec1e4dbcab52f1)
+++ tests/Tesselations/heptan/post/NonConvexEnvelope-heptan-4.dat	(revision a85f4542482b1c8da1342c3250ec1e4dbcab52f1)
@@ -0,0 +1,48 @@
+TITLE = "3D CONVEX SHELL"
+VARIABLES = "X" "Y" "Z" "U"
+ZONE T="heptan", N=16, E=28, DATAPACKING=POINT, ZONETYPE=FETRIANGLE
+-7.27e-07 -1.22006 0.930455 -17.4952
+-7.27e-07 -1.22006 -0.849545 -17.4952
+-1.2492 0.921941 0.930455 -19.6818
+-1.2492 0.921941 -0.849545 -15.323
+1.2492 0.921941 -0.849545 -17.495
+1.2492 0.921941 0.930455 -17.4951
+-2.4985 -1.22006 -0.849545 -13.1263
+-2.4985 -1.22006 0.930455 -10.8961
+2.4985 -1.22006 0.930455 -13.1263
+2.4985 -1.22006 -0.849545 -10.8961
+-4.6377 -0.336759 0.0404545 -9.35471
+-3.7477 0.921941 0.930455 -9.24444
+-3.7477 0.921941 -0.849545 -11.4805
+4.6377 -0.336759 0.0404545 -9.35473
+3.7477 0.921941 -0.849545 -11.4805
+3.7477 0.921941 0.930455 -9.24445
+
+14 15 16
+6 15 16
+5 6 15
+3 5 6
+3 4 5
+3 4 13
+3 12 13
+11 12 13
+7 11 13
+4 7 13
+2 4 7
+2 4 5
+2 5 10
+5 10 15
+10 14 15
+9 10 14
+2 9 10
+1 2 9
+1 2 7
+1 7 8
+7 8 11
+9 14 16
+6 9 16
+1 6 9
+1 3 6
+1 3 8
+3 8 12
+8 11 12
Index: tests/Tesselations/heptan/pre/heptan.xyz
===================================================================
--- tests/Tesselations/heptan/pre/heptan.xyz	(revision a85f4542482b1c8da1342c3250ec1e4dbcab52f1)
+++ tests/Tesselations/heptan/pre/heptan.xyz	(revision a85f4542482b1c8da1342c3250ec1e4dbcab52f1)
@@ -0,0 +1,25 @@
+23
+	Created by molecuilder on Mon Jul 28 11:56:27 2008
+H	-0.000000727	-1.220059091	0.930454545	
+H	-0.000000727	-1.220059091	-0.849545455	
+H	-1.249200727	0.921940909	0.930454545	
+H	-1.249200727	0.921940909	-0.849545455	
+H	1.249199273	0.921940909	-0.849545455	
+H	1.249199273	0.921940909	0.930454545	
+H	-2.498500727	-1.220059091	-0.849545455	
+H	-2.498500727	-1.220059091	0.930454545	
+H	2.498499273	-1.220059091	0.930454545	
+H	2.498499273	-1.220059091	-0.849545455	
+H	-4.637700727	-0.336759091	0.040454545	
+H	-3.747700727	0.921940909	0.930454545	
+H	-3.747700727	0.921940909	-0.849545455	
+H	4.637703273	-0.336759091	0.040454545	
+H	3.747703273	0.921940909	-0.849545455	
+H	3.747703273	0.921940909	0.930454545	
+C	-0.000000727	-0.590759091	0.040454545	
+C	-1.249200727	0.292640909	0.040454545	
+C	1.249199273	0.292640909	0.040454545	
+C	-2.498500727	-0.590759091	0.040454545	
+C	2.498499273	-0.590759091	0.040454545	
+C	-3.747700727	0.292640909	0.040454545	
+C	3.747703273	0.292640909	0.040454545	
Index: tests/Tesselations/heptan/testsuite-heptan.at
===================================================================
--- tests/Tesselations/heptan/testsuite-heptan.at	(revision a85f4542482b1c8da1342c3250ec1e4dbcab52f1)
+++ tests/Tesselations/heptan/testsuite-heptan.at	(revision a85f4542482b1c8da1342c3250ec1e4dbcab52f1)
@@ -0,0 +1,23 @@
+### heptan
+
+AT_SETUP([Tesselations - heptan])
+AT_KEYWORDS([tesselation non-convex-envelope])
+
+mol=heptan
+
+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
+
+
+
