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NonConvexEnvelope-round_cluster.dat@ 93c8ed

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Last change on this file since 93c8ed was 6a7f78c, checked in by Frederik Heber <heber@…>, 16 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: 22.0 KB

Rev	Line
[36eb4e]	1	TITLE = "3D CONVEX SHELL"
	2	VARIABLES = "X" "Y" "Z" "U"
[6a7f78c]	3	ZONE T="round_cluster", N=467, E=930, DATAPACKING=POINT, ZONETYPE=FETRIANGLE
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	381	30.5113 7.0483 25.4578 3
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	383	25.308 7.0257 31.9817 1
	384	28.8328 7.7055 31.5786 2
	385	42.1235 26.0004 18.8553 2
	386	40.4036 21.3428 18.0579 4
	387	40.6215 23.4314 15.2136 3
	388	37.1522 25.1935 11.2023 4
	389	38.8875 22.7734 12.2061 0
	390	40.3964 16.8253 19.9916 2
	391	36.7009 20.3279 12.9459 3
	392	36.9231 12.5007 17.7877 1
	393	37.817 12.8206 21.0032 2
	394	38.4607 15.4614 17.6633 2
	395	36.6607 14.8863 14.9963 3
	396	34.7417 22.195 10.8381 4
	397	32.3779 23.4596 8.7488 4
	398	24.0563 13.8136 11.7697 4
	399	20.898 40.9178 35.7949 1
	400	18.5007 42.5945 26.9871 4
	401	17.7281 40.0521 34.7656 3
	402	15.0544 41.8698 27.0575 4
	403	17.0645 42.5596 24.0501 4
	404	19.5562 34.7443 38.981 2
	405	11.729 38.4881 28.2353 4
	406	11.2946 38.0587 31.66 3
	407	9.78837 39.0695 25.3008 0
	408	12.8007 40.7763 23.9959 3
	409	8.99243 36.1245 22.6006 4
	410	13.7846 31.4503 38.3698 2
	411	9.64101 31.1839 33.8465 3
	412	8.26703 33.4544 27.9163 4
	413	5.12956 31.675 25.0027 2
	414	23.109 43.1207 17.0985 3
	415	19.4704 41.8712 18.4225 4
	416	21.6249 39.606 11.728 2
	417	24.5795 32.1503 8.2144 3
	418	20.5761 33.0944 6.9632 1
	419	20.4001 30.0427 5.9258 0
	420	14.7499 39.2169 16.1886 2
	421	16.0252 33.6114 9.5709 3
	422	12.4363 32.4437 10.7401 2
	423	20.7351 22.0062 42.0413 1
	424	20.2392 14.765 39.8128 4
	425	22.1382 17.255 38.672 3
	426	23.1065 10.8976 36.9535 4
	427	13.9199 27.9585 39.0216 4
	428	17.6932 21.7433 40.7299 3
	429	15.0191 21.2199 38.7978 4
	430	17.0331 13.2703 38.3278 4
	431	16.8128 11.4083 35.843 3
	432	16.2379 8.0069 28.5641 4
	433	14.8201 9.3866 33.3542 0
	434	14.6254 9.7306 24.1317 3
	435	9.21015 23.8044 37.5756 2
	436	6.49649 25.9798 33.9505 1
	437	8.42506 19.4156 36.0028 1
	438	11.7626 15.3345 34.7273 3
	439	18.6056 26.6671 6.7634 3
	440	23.7937 17.9157 7.3212 3
	441	21.9126 26.9601 6.3373 4
	442	19.9627 9.0389 15.4209 5
	443	20.2646 6.667 23.5561 4
	444	22.6292 5 25.4906 3
	445	9.93328 13.0037 32.6998 2
	446	11.4816 12.0606 29.4044 3
	447	11.1941 15.8841 28.602 3
	448	11.7247 18.7208 38.4497 1
	449	19.6638 6.99 30.1358 3
	450	11.7806 37.6718 17.4209 3
	451	16.2995 41.7111 31.7733 3
	452	21.9051 29.8233 37.938 4
	453	23.2773 8.867 14.5941 2
	454	27.2231 6.3956 19.9212 3
	455	30.0789 11.8287 11.338 2
	456	28.1773 20.7603 6.5001 3
	457	28.5378 17.3225 7.071 2
	458	26.9258 25.4197 6.628 4
	459	32.2703 9.3004 16.2756 0
	460	31.2349 18.4408 8.8932 4
	461	32.1388 15.2426 36.6659 5
	462	31.4777 19.7175 39.3987 2
	463	33.1529 22.673 38.0681 4
	464	27.4524 34.1622 7.6017 0
	465	27.5536 40.6118 16.7694 3
	466	35.8173 28.9937 11.9943 5
	467	26.9972 39.2227 37.4417 2
	468	26.1521 43.6689 30.9241 3
	469	28.3928 43.1655 27.643 3
	470	31.695 42.3936 28.2818 2
	471
	472	60 61 311
	473	61 62 311
	474	60 61 67
	475	1 61 62
	476	8 62 311
	477	59 60 67
	478	12 61 67
	479	1 12 61
	480	1 9 62
	481	8 9 62
	482	8 34 311
	483	59 60 323
	484	59 63 67
	485	12 65 67
	486	1 12 14
	487	1 9 17
	488	7 8 9
	489	8 33 34
	490	34 111 311
	491	59 323 382
	492	60 311 323
	493	59 63 308
	494	63 65 67
	495	12 13 65
	496	1 14 15
	497	12 13 14
	498	1 6 17
	499	5 9 17
	500	7 8 33
	501	5 7 9
	502	33 34 364
	503	34 111 382
	504	111 311 382
	505	59 109 382
	506	311 323 382
	507	59 64 308
	508	63 64 308
	509	63 65 66
	510	13 65 66
	511	1 6 15
	512	14 15 356
	513	13 14 353
	514	5 6 17
	515	7 33 38
	516	5 7 354
	517	33 41 364
	518	34 41 364
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	520	59 109 303
	521	109 110 382
	522	59 64 112
	523	63 64 372
	524	63 66 69
	525	13 66 313
	526	6 15 356
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	528	13 313 353
	529	14 16 353
	530	2 5 6
	531	7 38 354
	532	33 38 41
	533	3 5 354
	534	34 41 365
	535	34 110 365
	536	59 112 303
	537	109 303 383
	538	109 110 384
	539	64 78 112
	540	63 70 372
	541	64 78 372
	542	63 69 70
	543	66 68 69
	544	66 307 313
	545	6 11 356
	546	16 355 356
	547	10 313 353
	548	16 353 355
	549	2 5 20
	550	2 4 6
	551	38 354 362
	552	38 41 363
	553	3 5 358
	554	3 21 354
	555	41 42 365
	556	110 114 365
	557	112 116 303
	558	109 113 383
	559	116 303 383
	560	109 113 384
	561	110 114 384
	562	78 112 387
	563	70 78 372
	564	69 70 73
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	567	66 84 307
	568	82 307 313
	569	4 6 11
	570	11 355 356
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	573	2 4 20
	574	5 20 358
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	577	37 38 363
	578	40 41 363
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	580	21 35 354
	581	40 41 42
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	584	112 116 387
	585	113 116 383
	586	113 329 384
	587	114 384 386
	588	78 79 387
	589	70 73 78
	590	69 73 74
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	592	68 72 75
	593	69 74 75
	594	84 307 460
	595	82 307 460
	596	4 11 22
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	600	4 18 20
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	619	68 71 72
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	621	74 75 373
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	623	4 18 22
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	1156	240 249 262
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	1159	238 241 243
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	1177	156 164 407
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	1180	177 280 337
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	1183	287 333 403
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	1185	179 180 182
	1186	182 418 419
	1187	186 418 419
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	1189	187 237 238
	1190	186 187 190
	1191	253 255 439
	1192	253 256 257
	1193	252 254 439
	1194	240 260 262
	1195	252 260 262
	1196	240 261 263
	1197	243 245 263
	1198	237 238 243
	1199	257 440 441
	1200	208 269 427
	1201	269 270 445
	1202	162 225 270
	1203	215 427 428
	1204	215 230 234
	1205	218 219 234
	1206	218 221 273
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	1208	158 287 403
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	1210	162 163 341
	1211	163 164 346
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	1216	277 280 447
	1217	153 333 403
	1218	154 160 402
	1219	153 333 402
	1220	179 182 419
	1221	186 190 419
	1222	179 189 447
	1223	187 235 237
	1224	185 187 190
	1225	253 254 439
	1226	253 257 258
	1227	252 254 260
	1228	240 260 261
	1229	248 261 263
	1230	236 243 245
	1231	245 248 263
	1232	235 237 243
	1233	224 257 440
	1234	233 269 427
	1235	231 269 445
	1236	270 432 445
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	1238	225 270 432
	1239	215 233 427
	1240	215 230 233
	1241	230 234 442
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	1243	221 273 431
	1244	221 224 440
	1245	157 158 403
	1246	156 158 286
	1247	162 341 432
	1248	163 341 346
	1249	164 286 346
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