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18 | :proc |
18 | :proc |
19 | !reset slib_option |
19 | !reset slib_option |
20 | slib_data = !item 1 of $wims_read_parm |
20 | slib_data = !item 1 of $wims_read_parm |
21 | slib_data=!declosing $slib_data |
21 | slib_data=!declosing $slib_data |
22 | slib_option= !item -1 of $wims_read_parm |
22 | slib_option= !item -1 of $wims_read_parm |
23 | - | ||
24 | !default slib_cnt=0 |
23 | !default slib_cnt=0 |
25 | slib_cnt= $[$slib_cnt +1] |
24 | slib_cnt= $[$slib_cnt +1] |
26 | 25 | ||
27 | !for slib_a in label,scale,box,bonds,bgcolor,bondcolor,atomcolor,facecolor,format,width,height,id, show |
26 | !for slib_a in label,scale,box,bonds,bgcolor,bondcolor,atomcolor,facecolor,format,width,height,id, show |
28 | !reset slib_$slib_a |
27 | !reset slib_$slib_a |
Line 41... | Line 40... | ||
41 | slib_cnt_word=!wordcnt $slib_data |
40 | slib_cnt_word=!wordcnt $slib_data |
42 | slib_cnt_item=!itemcnt $slib_data |
41 | slib_cnt_item=!itemcnt $slib_data |
43 | !if $slib_cnt_word=1 and $slib_cnt_item=1 |
42 | !if $slib_cnt_word=1 and $slib_cnt_item=1 |
44 | slib_data=!record 0 of data/polyedre_off/$slib_data.off |
43 | slib_data=!record 0 of data/polyedre_off/$slib_data.off |
45 | slib_format=off |
44 | slib_format=off |
46 | !else |
45 | !else |
47 | slib_data=!replace internal , by $ $ in $slib_data |
46 | slib_data=!replace internal , by $ $ in $slib_data |
48 | !endif |
47 | !endif |
49 | !if $slib_format issametext off |
48 | !if $slib_format issametext off |
50 | slib_atomes=$slib_data |
49 | slib_atomes=$slib_data |
51 | slib_atomes=!translate ; to $\ |
50 | slib_atomes=!translate ; to $\ |
52 | $ in $slib_atomes |
51 | $ in $slib_atomes |
53 | !else |
52 | !else |
54 | slib_atomes=$slib_data |
53 | slib_atomes=$slib_data |
55 | !endif |
54 | !endif |
56 | slib_atomes=!translate $ $ to $\ |
55 | slib_atomes=!translate $ $ to $\ |
57 | $ in $slib_atomes |
56 | $ in $slib_atomes |
58 | 57 | ||
59 | !default slib_cnt=0 |
58 | !default slib_cnt=0 |
60 | slib_cnt= $[$slib_cnt+1] |
59 | slib_cnt= $[$slib_cnt+1] |
61 | slib_fichier=fichier.$slib_cnt |
60 | slib_fichier=fichier.$slib_cnt |
62 | 61 | ||
63 | !readproc oef/togetfile.proc $slib_fichier new\ |
62 | !readproc oef/togetfile.proc $slib_fichier new\ |
Line 66... | Line 65... | ||
66 | !default slib_show=,AA, |
65 | !default slib_show=,AA, |
67 | !!careful confusion with slib_width in off2jmol |
66 | !!careful confusion with slib_width in off2jmol |
68 | !set slib_width_v=$(slib_width) |
67 | !set slib_width_v=$(slib_width) |
69 | !set slib_height_v=$(slib_height) |
68 | !set slib_height_v=$(slib_height) |
70 | !readproc slib/geo3D/off2jmol $slib_atomes,[$slib_show],[ ,$slib_bondcolor,],[0.01,0.01],url distance |
69 | !readproc slib/geo3D/off2jmol $slib_atomes,[$slib_show],[ ,$slib_bondcolor,],[0.01,0.01],url distance |
- | 70 | !set slib_outoff=$slib_out |
|
71 | !readproc slib/chemistry/jmolshow $( |
71 | !readproc slib/chemistry/jmolshow $(slib_outoff[2]),$slib_height_v,$slib_width_v,$slib_bgcolor,script "$(slib_outoff[1])";zoom 130,$slib_id |
- | 72 | ||
72 | $slib_out |
73 | $slib_out |