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NonConvexEnvelope-cholesterol.dat@ 6a7f78c

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Last change on this file since 6a7f78c was 6a7f78c, checked in by Frederik Heber <heber@…>, 15 years ago

Fixes and naming of final Tecplot output file is now molecule name.

FIXES to builder.cpp:
- case 'p' would not dissect the molecule into connected subgraphs
- if done so, the BondGraph was not yet initialised
- if done so, we need to check whether BondGraphFileName has been set
- BondGraphFileName.empty() could not be used as a check, as was set to "" instead of "\n"
- if (finally) done so, we have to remove the empty molecule that we parsed in
- ... and then pick the newly added molecule for mol to point at
- SaveConfig() did not set the merged molecule name correctly.
- if empty config is given, the empty molecule now receives the ConfigFileName as name

FIXES to config.cpp
- Load() did not set the name of the molecule

changes to tesselationhelper.cpp and tesselation.cpp
- WriteTecplotFile() uses N == -1 to make clear, that we are writing the final not a temporary tecplot file and then uses the molecule's name instead of the last triangle's endpoints
- FindNextSuitableTriangle(): HasOtherBaselineBetterCandidate() was commented out for the moment (as it is not yet final and makes all the test fail)
- IncludeSphereinRaster3D() did not check whether LastTriangle was NULL or not

MoleculeListClass::DissectMoleculeIntoConnectedSubgraphs() names the subgraphs with suffixes "..-1", "..-2", ...

changes to PointCloud and molecule
- new virtual function PointCloud::GetName() returns "unknown"
- new function molecule::GetName() returns pointer to name of molecule
- IsEmpty() and IsEnd() now return true by default

all .dat files in the "Tesselations" tests were changed accordingly (i.e. have now the name in the second line)
benzene was added as a new test for an absolutely flat molecule. So far, it fails horribly.
13 of 17 tests run fine

Signed-off-by: Frederik Heber <heber@…>

Property mode set to 100644

File size: 1.8 KB

Line
1	TITLE = "3D CONVEX SHELL"
2	VARIABLES = "X" "Y" "Z" "U"
3	ZONE T="cholesterol", N=44, E=86, DATAPACKING=POINT, ZONETYPE=FETRIANGLE
4	19.4519 9.7871 8.0824 1
5	12.9054 5.0485 9.284 1
6	13.0326 5.0782 7.5089 3
7	14.0427 6.1653 8.4918 4
8	10.5908 5.1013 8.4972 2
9	11.3559 8.4775 9.4786 3
10	11.8277 7.0719 10.4739 1
11	14.3069 7.2286 7.1261 4
12	11.5412 7.3181 5.0762 2
13	12.5659 6.0136 5.7602 1
14	9.6557 7.1059 9.7153 2
15	10.4863 5 6.1988 0
16	9.6183 6.5619 6.1938 1
17	13.5795 8.855 10.503 3
18	14.1767 7.3442 9.7916 2
19	13.2713 9.8535 8.3204 3
20	13.8816 8.3823 5 2
21	13.1478 9.7624 5.8484 3
22	9.3408 8.1724 6.8729 3
23	7.3633 6.8086 8.9297 1
24	7.9417 6.2044 7.3585 2
25	8.2057 5.2436 8.8335 0
26	15.7352 9.9982 5.1256 1
27	8.4537 9.3077 9.5638 3
28	15.3573 10.1541 10.4713 0
29	16.4579 10.9701 9.3349 0
30	14.7032 11.2503 9.2308 2
31	16.2048 8.2172 10.1006 2
32	15.7449 7.2346 8.6921 4
33	9.244 11.0354 7.9704 5
34	8.1672 10.3727 6.7177 3
35	17.8035 10.1312 6.2165 0
36	17.2305 11.4439 7.2835 0
37	18.2902 7.7734 9.165 0
38	17.6654 7.7898 7.5028 4
39	7.2801 11.5079 9.4086 0
40	17.8169 10.2833 9.2438 2
41	6.3048 13.3192 8.0242 0
42	8.0704 13.2356 7.8152 1
43	6.9936 12.5729 6.5625 0
44	5.8361 9.6688 8.5834 2
45	5 11.2362 8.4728 0
46	5.6888 10.4899 7.0111 1
47	19.6833 10.7212 7.9874 0
48
49	1 32 44
50	1 32 35
51	32 33 44
52	1 34 35
53	23 32 35
54	23 32 33
55	26 33 44
56	1 34 37
57	29 34 35
58	17 23 35
59	18 23 33
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61	26 37 44
62	1 37 44
63	28 34 37
64	28 29 34
65	4 29 35
66	17 18 23
67	8 17 35
68	18 27 33
69	25 26 27
70	25 26 37
71	25 28 37
72	15 28 29
73	2 4 29
74	3 4 35
75	9 17 18
76	8 10 17
77	3 8 35
78	16 18 27
79	14 25 27
80	14 25 28
81	14 15 28
82	2 15 29
83	2 3 4
84	9 10 17
85	9 18 31
86	3 8 10
87	16 18 30
88	16 27 30
89	14 27 30
90	7 14 15
91	2 7 15
92	2 3 5
93	9 10 12
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98	6 7 14
99	2 5 7
100	3 5 12
101	9 12 13
102	9 13 19
103	13 19 31
104	30 31 39
105	6 24 30
106	6 7 24
107	5 7 11
108	5 12 22
109	12 13 21
110	13 21 31
111	27 30 39
112	31 39 40
113	24 30 36
114	7 11 24
115	5 11 22
116	12 21 22
117	21 31 43
118	31 40 43
119	40 42 43
120	41 42 43
121	21 41 43
122	20 21 41
123	20 24 41
124	24 36 41
125	36 41 42
126	36 38 42
127	38 40 42
128	38 39 40
129	36 38 39
130	30 36 39
131	27 30 39
132	11 20 24
133	11 20 22
134	20 21 22

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