Rev 16944 | Rev 17002 | Go to most recent revision | Show entire file | Ignore whitespace | Details | Blame | Last modification | View Log | RSS feed
Rev 16944 | Rev 16996 | ||
---|---|---|---|
Line 3... | Line 3... | ||
3 | !endif |
3 | !endif |
4 | 4 | ||
5 | slib_author=Bernadette, Perrin-Riou |
5 | slib_author=Bernadette, Perrin-Riou |
6 | slib_title=3Dviewer |
6 | slib_title=3Dviewer |
7 | 7 | ||
8 |
|
8 | slib_example=j87_augmented_sphenocorona,bondcolor=red id=1 show=[,AA,FF]\ |
9 | j87_augmented_sphenocorona,bondcolor=red id=1\ |
- | |
10 | rhombicosidodecahedron,label=false scale=1 height=400 width=400 bgcolor=blue id=2\ |
9 | rhombicosidodecahedron,label=false scale=1 height=400 width=400 bgcolor=blue id=2\ |
- | 10 | cube,label=false scale=0.8 height=300 width=300 id=3 show=[,AA,FF]\ |
|
- | 11 | [14,6;-1.00,-1.00,-1;1.00,-1.00,-1;1.00,1.00,-1;-1.00,1.00,-1;-1.00,-1.00,1.00;1.00,-1.00,1.00;-1.00,1.00,-1.00;-1.00,1.00,1.00;1.00,1.00,-1.00;1.00,1.00,1.00;-1.00,-1.00,1.00;1.00,-1.00,1.00;1.00,-1.00,1.00;1.00,1.00,1.00;4,10,7,9,11;4,6,8,9,7;4,0,6,7,4;4,2,1,12,13;4,1,0,4,5;4,0,1,2,3],scale=0.8 height=500 width=500 show=[,AA,FF]\ |
|
- | 12 | [14,6;-1.00,-1.00,-1;1.00,-1.00,-1;1.00,1.00,-1;-1.00,1.00,-1;-1.00,-3.00,-1.00;1.00,-3.00,-1.00;-3.00,-1.00,-1.00;-3.00,-3.00,-1.00;-5.00,-1.00,-1.00;-5.00,-3.00,-1.00;-3.00,-5.00,-1.00;-5.00,-5.00,-1.00;3.00,-1.00,-1.00;3.00,1.00,-1.00;4,10,7,9,11;4,6,8,9,7;4,0,6,7,4;4,2,1,12,13;4,1,0,4,5;4,0,1,2,3],scale=0.8 height=500 width=500 show=[,AA,FF]\ |
|
- | 13 | [14,6;-1.00,-1.00,-1;1.00,-1.00,-1;1.00,1.00,-1;-1.00,1.00,-1;-1.00,-2.41,0.414;1.00,-2.41,0.414;-2.41,3.25E-19,-2.17E-19;-2.41,-1.41,1.41;-2.41,1.41,1.41;-2.41,0.E-18,2.83;-1.00,-2.41,2.41;-1.00,-1.00,3.83;2.41,-1.00,0.414;2.41,1.00,0.414;4,10,7,9,11;4,6,8,9,7;4,0,6,7,4;4,2,1,12,13;4,1,0,4,5;4,0,1,2,3],scale=0.8 height=500 width=500 show=[,AA,FF]\ |
|
11 |
|
14 | [14,6;-1.00,-1.00,-1;1.00,-1.00,-1;1.00,1.00,-1;-1.00,1.00,-1;-1.00,-1.62,0.902;1.00,-1.62,0.902;-1.62,0.809,-0.412;-1.62,0.191,1.49;4.34E-19,1.93,-0.0489;4.34E-19,1.31,1.85;-0.500,-1.46,1.60;1.12,-0.345,1.97;1.62,-1.00,0.902;1.62,1.00,0.902;4,10,7,9,11;4,6,8,9,7;4,0,6,7,4;4,2,1,12,13;4,1,0,4,5;4,0,1,2,3],scale=0.8 height=500 width=500 show=[SS,AA,FF]\ |
12 | 15 | ||
13 | !exit |
16 | !exit |
14 | 17 | ||
15 | :proc |
18 | :proc |
16 | !reset slib_option |
19 | !reset slib_option |
Line 19... | Line 22... | ||
19 | slib_option= !item -1 of $wims_read_parm |
22 | slib_option= !item -1 of $wims_read_parm |
20 | 23 | ||
21 | !default slib_cnt=0 |
24 | !default slib_cnt=0 |
22 | slib_cnt= $[$slib_cnt +1] |
25 | slib_cnt= $[$slib_cnt +1] |
23 | 26 | ||
24 | !for slib_a in |
27 | !for slib_a in label,scale,box,bonds,bgcolor,bondcolor,atomcolor,facecolor,format,width,height,id, show |
25 | !reset slib_$slib_a |
28 | !reset slib_$slib_a |
26 | slib_$slib_a=!getopt $slib_a in $slib_option |
29 | slib_$slib_a=!getopt $slib_a in $slib_option |
27 | !next slib_a |
30 | !next slib_a |
28 | !default slib_label=false |
31 | !default slib_label=false |
29 | !default slib_bgcolor=white |
32 | !default slib_bgcolor=white |
Line 58... | Line 61... | ||
58 | slib_fichier=fichier.$slib_cnt |
61 | slib_fichier=fichier.$slib_cnt |
59 | 62 | ||
60 | !readproc oef/togetfile.proc $slib_fichier new\ |
63 | !readproc oef/togetfile.proc $slib_fichier new\ |
61 | $slib_atomes |
64 | $slib_atomes |
62 | 65 | ||
63 |
|
66 | !default slib_show=,AA, |
64 | !!careful confusion with slib_width in off2jmol |
67 | !!careful confusion with slib_width in off2jmol |
65 | !set slib_width_v=$(slib_width) |
68 | !set slib_width_v=$(slib_width) |
66 | !set slib_height_v=$(slib_height) |
69 | !set slib_height_v=$(slib_height) |
67 | !readproc slib/geo3D/off2jmol $slib_atomes,[ |
70 | !readproc slib/geo3D/off2jmol $slib_atomes,[$slib_show],[ ,$slib_bondcolor,],[0.01,0.01],url distance |
68 | !readproc slib/chemistry/jmolshow $(slib_out[2]),$slib_height_v,$slib_width_v,$slib_bgcolor,script "$(slib_out[1])";zoom 180,$slib_id |
71 | !readproc slib/chemistry/jmolshow $(slib_out[2]),$slib_height_v,$slib_width_v,$slib_bgcolor,script "$(slib_out[1])";zoom 180,$slib_id |