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ConvexEnvelope.r3d@ 5b5c4d

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Last change on this file since 5b5c4d was 15b670, checked in by Frederik Heber <heber@…>, 15 years ago

Testfixes for Tesselations/1-3 and bugfixes for molecule::DetermineCenterOfAll()

BUGFIX: molecule::DetermineCenterOfAll() - would scale by -1./Num, which is not the right center.
TESTFIX: Tesselations/1-3 all suffered ... replaced in regression dir.
- (Non)ConvexEnvelope.r3d to be disordered, due to IonType2 appear before IonType1 in test.conf
- (Non)ConvexEnvelope.r3d from test and from regression to differ by 4.4e-16 and 0 (now nodes coordinates are set to 0, if fabs(.) is below MYEPSILON)
- Tesselations/3: NonConvexEnvelope.dat was disorder (but the exactly same tesselation) due to IonType (did not occur for Tesselations/1-2)

Property mode set to 100644

File size: 1.9 KB

Line
1	# Raster3D object description, created by MoleCuilder
2	@header.r3d
3	# All atoms as spheres
4	2
5	1.24926 -0.870237 -0.89 0.1 1. 1. 1.
6	2
7	1.24926 -0.870237 0.89 0.1 1. 1. 1.
8	2
9	2.13922 0.388414 0 0.1 1. 1. 1.
10	2
11	-3.63639e-05 1.27176 -0.89 0.1 1. 1. 1.
12	2
13	-3.63639e-05 1.27176 0.89 0.1 1. 1. 1.
14	2
15	-2.13919 0.388414 0 0.1 1. 1. 1.
16	2
17	-1.24924 -0.870237 -0.89 0.1 1. 1. 1.
18	2
19	-1.24924 -0.870237 0.89 0.1 1. 1. 1.
20	2
21	1.24926 -0.240937 0 0.1 1. 1. 1.
22	2
23	-3.63639e-05 0.642463 0 0.1 1. 1. 1.
24	2
25	-1.24924 -0.240937 0 0.1 1. 1. 1.
26	# All tesselation triangles
27	8
28	25. -1. 1. 1. 1. 0.0 0 0 0 2
29	SOLID 1.0 0.0 0.0
30	BACKFACE 0.3 0.3 1.0 0 0
31	1
32	1.24926 -0.870237 -0.89 2.13922 0.388414 0 -3.63639e-05 1.27176 -0.89 1. 0. 0.
33	1
34	1.24926 -0.870237 -0.89 -3.63639e-05 1.27176 -0.89 -1.24924 -0.870237 -0.89 1. 0. 0.
35	1
36	-3.63639e-05 1.27176 -0.89 -2.13919 0.388414 0 -1.24924 -0.870237 -0.89 1. 0. 0.
37	1
38	2.13922 0.388414 0 -3.63639e-05 1.27176 -0.89 -3.63639e-05 1.27176 0.89 1. 0. 0.
39	1
40	-3.63639e-05 1.27176 -0.89 -3.63639e-05 1.27176 0.89 -2.13919 0.388414 0 1. 0. 0.
41	1
42	1.24926 -0.870237 0.89 2.13922 0.388414 0 -3.63639e-05 1.27176 0.89 1. 0. 0.
43	1
44	1.24926 -0.870237 0.89 -3.63639e-05 1.27176 0.89 -1.24924 -0.870237 0.89 1. 0. 0.
45	1
46	-3.63639e-05 1.27176 0.89 -2.13919 0.388414 0 -1.24924 -0.870237 0.89 1. 0. 0.
47	1
48	-2.13919 0.388414 0 -1.24924 -0.870237 -0.89 -1.24924 -0.870237 0.89 1. 0. 0.
49	1
50	1.24926 -0.870237 0.89 -1.24924 -0.870237 -0.89 -1.24924 -0.870237 0.89 1. 0. 0.
51	1
52	1.24926 -0.870237 -0.89 1.24926 -0.870237 0.89 -1.24924 -0.870237 -0.89 1. 0. 0.
53	1
54	1.24926 -0.870237 -0.89 1.24926 -0.870237 0.89 2.13922 0.388414 0 1. 0. 0.
55	9
56	# terminating special property
57	# current virtual sphere
58	8
59	25.0 0.6 -1.0 -1.0 -1.0 0.2 0 0 0 0
60	2
61	1.54591 -0.450686 -4.44089e-16 5 1 0 0
62	9
63	terminating special property

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