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NonConvexEnvelope-heptan.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: 597 bytes

Line
1	TITLE = "3D CONVEX SHELL"
2	VARIABLES = "X" "Y" "Z" "U"
3	ZONE T="heptan", N=16, E=28, DATAPACKING=POINT, ZONETYPE=FETRIANGLE
4	9.6377 5 6.78 0
5	9.6377 5 5 0
6	8.3885 7.142 6.78 0
7	8.3885 7.142 5 0
8	10.8869 7.142 5 0
9	10.8869 7.142 6.78 0
10	7.1392 5 5 0
11	7.1392 5 6.78 0
12	12.1362 5 6.78 0
13	12.1362 5 5 0
14	5 5.8833 5.89 0
15	5.89 7.142 6.78 0
16	5.89 7.142 5 0
17	14.2754 5.8833 5.89 0
18	13.3854 7.142 5 0
19	13.3854 7.142 6.78 0
20
21	14 15 16
22	6 15 16
23	5 6 15
24	9 14 16
25	6 9 16
26	3 5 6
27	3 4 5
28	5 10 15
29	9 10 14
30	1 6 9
31	1 3 6
32	3 4 13
33	3 12 13
34	2 4 5
35	2 5 10
36	10 14 15
37	2 9 10
38	1 2 9
39	1 3 8
40	4 7 13
41	3 8 12
42	11 12 13
43	2 4 7
44	1 2 7
45	1 7 8
46	7 11 13
47	8 11 12
48	7 8 11

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