Index: molecuilder/tests/Tesselations/1_2-dimethoxyethane/NonConvexEnvelope-1_2-dimethoxyethane.dat
===================================================================
--- molecuilder/tests/Tesselations/1_2-dimethoxyethane/NonConvexEnvelope-1_2-dimethoxyethane.dat	(revision f28e0c633a845efdd59522f31f3a95727808daa7)
+++ molecuilder/tests/Tesselations/1_2-dimethoxyethane/NonConvexEnvelope-1_2-dimethoxyethane.dat	(revision cc92254fdd2125842e71cb1c7cd543700c2e610f)
@@ -1,5 +1,5 @@
 TITLE = "3D CONVEX SHELL"
 VARIABLES = "X" "Y" "Z" "U"
-ZONE T="0- H10_ H15_ H16", N=12, E=20, DATAPACKING=POINT, ZONETYPE=FETRIANGLE
+ZONE T="1_2-dimethoxyethane", N=12, E=20, DATAPACKING=POINT, ZONETYPE=FETRIANGLE
 9.6489 7.0567 6.6101 2
 6.8975 7.0567 5.9709 2
Index: molecuilder/tests/Tesselations/1_2-dimethylbenzene/NonConvexEnvelope-1_2-dimethylbenzene.dat
===================================================================
--- molecuilder/tests/Tesselations/1_2-dimethylbenzene/NonConvexEnvelope-1_2-dimethylbenzene.dat	(revision f28e0c633a845efdd59522f31f3a95727808daa7)
+++ molecuilder/tests/Tesselations/1_2-dimethylbenzene/NonConvexEnvelope-1_2-dimethylbenzene.dat	(revision cc92254fdd2125842e71cb1c7cd543700c2e610f)
@@ -1,5 +1,5 @@
 TITLE = "3D CONVEX SHELL"
 VARIABLES = "X" "Y" "Z" "U"
-ZONE T="0- C07_ C08_ H09", N=14, E=25, DATAPACKING=POINT, ZONETYPE=FETRIANGLE
+ZONE T="1_2-dimethylbenzene", N=14, E=25, DATAPACKING=POINT, ZONETYPE=FETRIANGLE
 8.3296 6.7712 6.0321 3
 8.3296 8.1534 6.0305 3
Index: molecuilder/tests/Tesselations/2-methylcyclohexanone/NonConvexEnvelope-2-methylcyclohexanone.dat
===================================================================
--- molecuilder/tests/Tesselations/2-methylcyclohexanone/NonConvexEnvelope-2-methylcyclohexanone.dat	(revision f28e0c633a845efdd59522f31f3a95727808daa7)
+++ molecuilder/tests/Tesselations/2-methylcyclohexanone/NonConvexEnvelope-2-methylcyclohexanone.dat	(revision cc92254fdd2125842e71cb1c7cd543700c2e610f)
@@ -1,5 +1,5 @@
 TITLE = "3D CONVEX SHELL"
 VARIABLES = "X" "Y" "Z" "U"
-ZONE T="0- H15_ H18_ H19", N=13, E=22, DATAPACKING=POINT, ZONETYPE=FETRIANGLE
+ZONE T="2-methylcyclohexanone", N=13, E=22, DATAPACKING=POINT, ZONETYPE=FETRIANGLE
 9.2731 9.0957 6.144 1
 10.8392 7.1885 6.8694 0
Index: molecuilder/tests/Tesselations/C16_0-Torus/NonConvexEnvelope-C16_0-Torus.dat
===================================================================
--- molecuilder/tests/Tesselations/C16_0-Torus/NonConvexEnvelope-C16_0-Torus.dat	(revision f28e0c633a845efdd59522f31f3a95727808daa7)
+++ molecuilder/tests/Tesselations/C16_0-Torus/NonConvexEnvelope-C16_0-Torus.dat	(revision cc92254fdd2125842e71cb1c7cd543700c2e610f)
@@ -1,5 +1,5 @@
 TITLE = "3D CONVEX SHELL"
 VARIABLES = "X" "Y" "Z" "U"
-ZONE T="0- C818_ C1839_ C1904", N=8208, E=16416, DATAPACKING=POINT, ZONETYPE=FETRIANGLE
+ZONE T="C16_0-Torus", N=8208, E=16416, DATAPACKING=POINT, ZONETYPE=FETRIANGLE
 57.0669 28.4968 10.0318 2
 53.7124 30.5841 10.0363 2
Index: molecuilder/tests/Tesselations/Makefile.am
===================================================================
--- molecuilder/tests/Tesselations/Makefile.am	(revision f28e0c633a845efdd59522f31f3a95727808daa7)
+++ molecuilder/tests/Tesselations/Makefile.am	(revision cc92254fdd2125842e71cb1c7cd543700c2e610f)
@@ -2,4 +2,5 @@
 1_2-dimethylbenzene.test \
 2-methylcyclohexanone.test \
+benzene.test \
 cholesterol.test \
 cluster.test \
Index: molecuilder/tests/Tesselations/N_N-dimethylacetamide/NonConvexEnvelope-N_N-dimethylacetamide.dat
===================================================================
--- molecuilder/tests/Tesselations/N_N-dimethylacetamide/NonConvexEnvelope-N_N-dimethylacetamide.dat	(revision f28e0c633a845efdd59522f31f3a95727808daa7)
+++ molecuilder/tests/Tesselations/N_N-dimethylacetamide/NonConvexEnvelope-N_N-dimethylacetamide.dat	(revision cc92254fdd2125842e71cb1c7cd543700c2e610f)
@@ -1,5 +1,5 @@
 TITLE = "3D CONVEX SHELL"
 VARIABLES = "X" "Y" "Z" "U"
-ZONE T="0- C03_ O06_ H12", N=11, E=18, DATAPACKING=POINT, ZONETYPE=FETRIANGLE
+ZONE T="N_N-dimethylacetamide", N=11, E=18, DATAPACKING=POINT, ZONETYPE=FETRIANGLE
 6.4232 7.1074 8.3151 3
 6.5832 7.8674 9.2351 1
Index: molecuilder/tests/Tesselations/benzene.test
===================================================================
--- molecuilder/tests/Tesselations/benzene.test	(revision cc92254fdd2125842e71cb1c7cd543700c2e610f)
+++ molecuilder/tests/Tesselations/benzene.test	(revision cc92254fdd2125842e71cb1c7cd543700c2e610f)
@@ -0,0 +1,8 @@
+#! /bin/sh
+
+# Test a simple simulation: 
+
+. ./defs || exit 1
+set -e
+
+Tesselation_run 0 4.
Index: molecuilder/tests/Tesselations/benzene/benzene.xyz
===================================================================
--- molecuilder/tests/Tesselations/benzene/benzene.xyz	(revision cc92254fdd2125842e71cb1c7cd543700c2e610f)
+++ molecuilder/tests/Tesselations/benzene/benzene.xyz	(revision cc92254fdd2125842e71cb1c7cd543700c2e610f)
@@ -0,0 +1,14 @@
+12
+Benzene molecule
+H   -1.6271    0.0000   -0.0007
+C   -0.5471    0.0001   -0.0015
+C    0.1541    1.2073    0.0011
+C    0.1544   -1.2075    0.0010
+C    1.5338    1.2000    0.0007
+C    1.5336   -1.2001    0.0007
+C    2.2223    0.0002   -0.0021
+H   -0.3822    2.1448    0.0029
+H   -0.3819   -2.1449    0.0036
+H    2.0775    2.1332    0.0024
+H    2.0774   -2.1333    0.0026
+H    3.3023    0.0002   -0.0027
Index: molecuilder/tests/Tesselations/cholesterol/NonConvexEnvelope-cholesterol.dat
===================================================================
--- molecuilder/tests/Tesselations/cholesterol/NonConvexEnvelope-cholesterol.dat	(revision f28e0c633a845efdd59522f31f3a95727808daa7)
+++ molecuilder/tests/Tesselations/cholesterol/NonConvexEnvelope-cholesterol.dat	(revision cc92254fdd2125842e71cb1c7cd543700c2e610f)
@@ -1,5 +1,5 @@
 TITLE = "3D CONVEX SHELL"
 VARIABLES = "X" "Y" "Z" "U"
-ZONE T="0- H49_ H50_ H51", N=44, E=86, DATAPACKING=POINT, ZONETYPE=FETRIANGLE
+ZONE T="cholesterol", N=44, E=86, DATAPACKING=POINT, ZONETYPE=FETRIANGLE
 19.4519 9.7871 8.0824 1
 12.9054 5.0485 9.284 1
Index: molecuilder/tests/Tesselations/cluster/NonConvexEnvelope-cluster.dat
===================================================================
--- molecuilder/tests/Tesselations/cluster/NonConvexEnvelope-cluster.dat	(revision f28e0c633a845efdd59522f31f3a95727808daa7)
+++ molecuilder/tests/Tesselations/cluster/NonConvexEnvelope-cluster.dat	(revision cc92254fdd2125842e71cb1c7cd543700c2e610f)
@@ -1,5 +1,5 @@
 TITLE = "3D CONVEX SHELL"
 VARIABLES = "X" "Y" "Z" "U"
-ZONE T="0- O4864_ O4865_ O5836", N=434, E=782, DATAPACKING=POINT, ZONETYPE=FETRIANGLE
+ZONE T="cluster", N=434, E=782, DATAPACKING=POINT, ZONETYPE=FETRIANGLE
 59.3961 67.9193 74.1709 1
 60.8097 66.4885 71.9891 1
Index: molecuilder/tests/Tesselations/cycloheptane/NonConvexEnvelope-cycloheptane.dat
===================================================================
--- molecuilder/tests/Tesselations/cycloheptane/NonConvexEnvelope-cycloheptane.dat	(revision f28e0c633a845efdd59522f31f3a95727808daa7)
+++ molecuilder/tests/Tesselations/cycloheptane/NonConvexEnvelope-cycloheptane.dat	(revision cc92254fdd2125842e71cb1c7cd543700c2e610f)
@@ -1,5 +1,5 @@
 TITLE = "3D CONVEX SHELL"
 VARIABLES = "X" "Y" "Z" "U"
-ZONE T="0- H08_ H12_ H13", N=14, E=24, DATAPACKING=POINT, ZONETYPE=FETRIANGLE
+ZONE T="cycloheptane", N=14, E=24, DATAPACKING=POINT, ZONETYPE=FETRIANGLE
 5 8.6586 6.1486 0
 5.8635 8.4046 7.6783 0
Index: molecuilder/tests/Tesselations/dimethyl_bromomalonate/NonConvexEnvelope-dimethyl_bromomalonate.dat
===================================================================
--- molecuilder/tests/Tesselations/dimethyl_bromomalonate/NonConvexEnvelope-dimethyl_bromomalonate.dat	(revision f28e0c633a845efdd59522f31f3a95727808daa7)
+++ molecuilder/tests/Tesselations/dimethyl_bromomalonate/NonConvexEnvelope-dimethyl_bromomalonate.dat	(revision cc92254fdd2125842e71cb1c7cd543700c2e610f)
@@ -1,5 +1,5 @@
 TITLE = "3D CONVEX SHELL"
 VARIABLES = "X" "Y" "Z" "U"
-ZONE T="0- H12_ H13_ H14", N=12, E=20, DATAPACKING=POINT, ZONETYPE=FETRIANGLE
+ZONE T="dimethyl_bromomalonate", N=12, E=20, DATAPACKING=POINT, ZONETYPE=FETRIANGLE
 8.1538 5 6.6665 1
 6.8226 7.583 6.9158 4
Index: molecuilder/tests/Tesselations/glucose/NonConvexEnvelope-glucose.dat
===================================================================
--- molecuilder/tests/Tesselations/glucose/NonConvexEnvelope-glucose.dat	(revision f28e0c633a845efdd59522f31f3a95727808daa7)
+++ molecuilder/tests/Tesselations/glucose/NonConvexEnvelope-glucose.dat	(revision cc92254fdd2125842e71cb1c7cd543700c2e610f)
@@ -1,5 +1,5 @@
 TITLE = "3D CONVEX SHELL"
 VARIABLES = "X" "Y" "Z" "U"
-ZONE T="0- C09_ O12_ H17", N=19, E=34, DATAPACKING=POINT, ZONETYPE=FETRIANGLE
+ZONE T="glucose", N=19, E=34, DATAPACKING=POINT, ZONETYPE=FETRIANGLE
 9.5866 5 7.577 1
 8.4149 7.4116 8.4659 1
Index: molecuilder/tests/Tesselations/heptan/NonConvexEnvelope-heptan.dat
===================================================================
--- molecuilder/tests/Tesselations/heptan/NonConvexEnvelope-heptan.dat	(revision f28e0c633a845efdd59522f31f3a95727808daa7)
+++ molecuilder/tests/Tesselations/heptan/NonConvexEnvelope-heptan.dat	(revision cc92254fdd2125842e71cb1c7cd543700c2e610f)
@@ -1,5 +1,5 @@
 TITLE = "3D CONVEX SHELL"
 VARIABLES = "X" "Y" "Z" "U"
-ZONE T="0- H07_ H08_ H11", N=16, E=28, DATAPACKING=POINT, ZONETYPE=FETRIANGLE
+ZONE T="heptan", N=16, E=28, DATAPACKING=POINT, ZONETYPE=FETRIANGLE
 9.6377 5 6.78 0
 9.6377 5 5 0
Index: molecuilder/tests/Tesselations/isoleucine/NonConvexEnvelope-isoleucine.dat
===================================================================
--- molecuilder/tests/Tesselations/isoleucine/NonConvexEnvelope-isoleucine.dat	(revision f28e0c633a845efdd59522f31f3a95727808daa7)
+++ molecuilder/tests/Tesselations/isoleucine/NonConvexEnvelope-isoleucine.dat	(revision cc92254fdd2125842e71cb1c7cd543700c2e610f)
@@ -1,5 +1,5 @@
 TITLE = "3D CONVEX SHELL"
 VARIABLES = "X" "Y" "Z" "U"
-ZONE T="0- H20_ H21_ H22", N=17, E=30, DATAPACKING=POINT, ZONETYPE=FETRIANGLE
+ZONE T="isoleucine", N=17, E=30, DATAPACKING=POINT, ZONETYPE=FETRIANGLE
 10.8909 7.216 6.6663 5
 9.4763 5.271 6.3191 1
Index: molecuilder/tests/Tesselations/neohexane/NonConvexEnvelope-neohexane.dat
===================================================================
--- molecuilder/tests/Tesselations/neohexane/NonConvexEnvelope-neohexane.dat	(revision f28e0c633a845efdd59522f31f3a95727808daa7)
+++ molecuilder/tests/Tesselations/neohexane/NonConvexEnvelope-neohexane.dat	(revision cc92254fdd2125842e71cb1c7cd543700c2e610f)
@@ -1,5 +1,5 @@
 TITLE = "3D CONVEX SHELL"
 VARIABLES = "X" "Y" "Z" "U"
-ZONE T="0- H10_ H15_ H20", N=14, E=24, DATAPACKING=POINT, ZONETYPE=FETRIANGLE
+ZONE T="neohexane", N=14, E=24, DATAPACKING=POINT, ZONETYPE=FETRIANGLE
 7.1525 6.2503 8.0589 1
 7.1525 8.0303 8.0578 1
Index: molecuilder/tests/Tesselations/proline/NonConvexEnvelope-proline.dat
===================================================================
--- molecuilder/tests/Tesselations/proline/NonConvexEnvelope-proline.dat	(revision f28e0c633a845efdd59522f31f3a95727808daa7)
+++ molecuilder/tests/Tesselations/proline/NonConvexEnvelope-proline.dat	(revision cc92254fdd2125842e71cb1c7cd543700c2e610f)
@@ -1,5 +1,5 @@
 TITLE = "3D CONVEX SHELL"
 VARIABLES = "X" "Y" "Z" "U"
-ZONE T="0- H10_ H13_ H17", N=13, E=22, DATAPACKING=POINT, ZONETYPE=FETRIANGLE
+ZONE T="proline", N=13, E=22, DATAPACKING=POINT, ZONETYPE=FETRIANGLE
 9.2095 7.1856 6.6953 4
 9.3187 7.948 7.6262 2
Index: molecuilder/tests/Tesselations/putrescine/NonConvexEnvelope-putrescine.dat
===================================================================
--- molecuilder/tests/Tesselations/putrescine/NonConvexEnvelope-putrescine.dat	(revision f28e0c633a845efdd59522f31f3a95727808daa7)
+++ molecuilder/tests/Tesselations/putrescine/NonConvexEnvelope-putrescine.dat	(revision cc92254fdd2125842e71cb1c7cd543700c2e610f)
@@ -1,5 +1,5 @@
 TITLE = "3D CONVEX SHELL"
 VARIABLES = "X" "Y" "Z" "U"
-ZONE T="0- N06_ H17_ H18", N=14, E=24, DATAPACKING=POINT, ZONETYPE=FETRIANGLE
+ZONE T="putrescine", N=14, E=24, DATAPACKING=POINT, ZONETYPE=FETRIANGLE
 10.8857 5.9511 6.2964 1
 5.5257 8.9311 6.4164 1
Index: molecuilder/tests/Tesselations/round_cluster/NonConvexEnvelope-round_cluster.dat
===================================================================
--- molecuilder/tests/Tesselations/round_cluster/NonConvexEnvelope-round_cluster.dat	(revision f28e0c633a845efdd59522f31f3a95727808daa7)
+++ molecuilder/tests/Tesselations/round_cluster/NonConvexEnvelope-round_cluster.dat	(revision cc92254fdd2125842e71cb1c7cd543700c2e610f)
@@ -1,5 +1,5 @@
 TITLE = "3D CONVEX SHELL"
 VARIABLES = "X" "Y" "Z" "U"
-ZONE T="0- O633_ O960_ O1013", N=467, E=930, DATAPACKING=POINT, ZONETYPE=FETRIANGLE
+ZONE T="round_cluster", N=467, E=930, DATAPACKING=POINT, ZONETYPE=FETRIANGLE
 41.4883 31.1464 29.9646 2
 35.0153 37.6127 31.0313 4
Index: molecuilder/tests/Tesselations/tartaric_acid/NonConvexEnvelope-tartaric_acid.dat
===================================================================
--- molecuilder/tests/Tesselations/tartaric_acid/NonConvexEnvelope-tartaric_acid.dat	(revision f28e0c633a845efdd59522f31f3a95727808daa7)
+++ molecuilder/tests/Tesselations/tartaric_acid/NonConvexEnvelope-tartaric_acid.dat	(revision cc92254fdd2125842e71cb1c7cd543700c2e610f)
@@ -1,5 +1,5 @@
 TITLE = "3D CONVEX SHELL"
 VARIABLES = "X" "Y" "Z" "U"
-ZONE T="0- C05_ O09_ H12", N=14, E=24, DATAPACKING=POINT, ZONETYPE=FETRIANGLE
+ZONE T="tartaric_acid", N=14, E=24, DATAPACKING=POINT, ZONETYPE=FETRIANGLE
 10.156 6.9295 6.2926 4
 8.5078 5.7627 5 1
