Subversion Repositories wimsdev

!if $wims_read_parm!=slib_header

  !goto proc

!endif

slib_author=Bernadette, Perrin-Riou

slib_title=3Dviewer

slib_example=j87_augmented_sphenocorona,bondcolor=red id=1 show=[,AA,FF]\

rhombicosidodecahedron,label=false scale=1 height=400 width=400 bgcolor=blue id=2\

cube,label=false scale=0.8 height=300 width=300 id=3 show=[,AA,FF]\

[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],bondcolor=red scale=0.8 height=500 width=500 show=[,AA,FF]\

[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],bondcolor=blue scale=0.8 height=500 width=500 show=[,AA,FF]\

[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]\

[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]\

[[3,1;1,0,0;0,1,0;0,0,1],[3,1;1,0,0;0,1,0;0,0,2],[3,1;1,0,0;0,1,0;0,0,3];3,0,1,2],bondcolor=red scale=0.8 height=500 width=500 show=[,AA,FF] id=tr animstep=3\

[[3,1;1,0,0;0,1,0;0,0,1;3,0,1,2],[3,1;1,0,0;0,1,0;0,0,2;3,0,1,2],[3,1;1,0,0;0,1,0;0,0,3;3,0,1,2]],bondcolor=red scale=0.8 height=500 width=500 show=[,AA,FF] id=ts animstep=3\

[62 120;-0.526,-0.000,-0.851;-0.526,-0.000,0.851;-0.309,0.500,0.809;-0.309,0.500,-0.809;-0.357,0.934,-0.000;-0.357,-0.934,0.000;-0.309,-0.500,-0.809;-0.309,-0.500,0.809;0.000,-0.357,-0.934;0.000,-0.357,0.934;0.000,0.000,-1.000;0.000,0.000,1.000;0.000,0.357,0.934;0.000,0.357,-0.934;0.000,1.000,0.000;0.000,0.851,0.526;0.000,0.851,-0.526;0.000,-0.851,-0.526;0.000,-0.851,0.526;0.000,-1.000,0.000;0.526,0.000,-0.851;0.526,0.000,0.851;0.309,0.500,0.809;0.309,0.500,-0.809;0.357,0.934,0.000;0.357,-0.934,0.000;0.309,-0.500,-0.809;0.309,-0.500,0.809;1.000,0.000,0.000;0.851,-0.526,0.000;0.851,0.526,0.000;0.577,0.577,-0.577;0.577,0.577,0.577;0.500,0.809,0.309;0.500,0.809,-0.309;0.500,-0.809,-0.309;0.500,-0.809,0.309;0.577,-0.577,-0.577;0.577,-0.577,0.577;0.809,-0.309,-0.500;0.809,-0.309,0.500;0.934,0.000,0.357;0.934,0.000,-0.357;0.809,0.309,-0.500;0.809,0.309,0.500;-0.809,-0.309,-0.500;-0.809,-0.309,0.500;-0.934,-0.000,-0.357;-0.934,-0.000,0.357;-0.809,0.309,-0.500;-0.809,0.309,0.500;-0.851,-0.526,0.000;-0.851,0.526,-0.000;-0.577,0.577,-0.577;-0.577,0.577,0.577;-0.500,0.809,0.309;-0.500,0.809,-0.309;-0.500,-0.809,0.309;-0.500,-0.809,-0.309;-0.577,-0.577,-0.577;-0.577,-0.577,0.577;-1.000,-0.000,-0.000;3,0,8,6,1;3,1,9,7,0;3,0,13,3,0;3,1,12,2,1;3,0,8,10,0;3,1,9,11,1;3,0,13,10,1;3,1,12,11,0;3,0,47,45,0;3,1,48,46,1;3,0,47,49,1;3,1,48,50,0;3,0,53,3,1;3,1,54,2,0;3,0,59,6,0;3,1,60,7,1;3,0,53,49,0;3,1,54,50,1;3,0,59,45,1;3,1,60,46,0;3,15,4,14,0;3,16,4,14,1;3,17,5,19,0;3,18,5,19,1;3,15,4,55,1;3,16,4,56,0;3,17,5,58,1;3,18,5,57,0;3,15,12,2,0;3,16,13,3,1;3,17,8,6,0;3,18,9,7,1;3,15,12,22,1;3,16,13,23,0;3,17,8,26,1;3,18,9,27,0;3,15,24,14,1;3,16,24,14,0;3,17,25,19,1;3,18,25,19,0;3,15,24,33,0;3,16,24,34,1;3,17,25,35,0;3,18,25,36,1;3,15,32,22,0;3,16,31,23,1;3,17,37,26,0;3,18,38,27,1;3,15,32,33,1;3,16,31,34,0;3,17,37,35,1;3,18,38,36,0;3,15,54,2,1;3,16,53,3,0;3,17,59,6,1;3,18,60,7,0;3,15,54,55,0;3,16,53,56,1;3,17,59,58,0;3,18,60,57,1;3,20,8,10,1;3,21,9,11,0;3,20,13,10,0;3,21,12,11,1;3,20,8,26,0;3,21,9,27,1;3,20,13,23,1;3,21,12,22,0;3,20,31,23,0;3,21,32,22,1;3,20,37,26,1;3,21,38,27,0;3,20,31,43,1;3,21,32,44,0;3,20,37,39,0;3,21,38,40,1;3,20,42,39,1;3,21,41,40,0;3,20,42,43,0;3,21,41,44,1;3,29,25,35,1;3,29,25,36,0;3,30,24,33,1;3,30,24,34,0;3,29,37,35,0;3,29,38,36,1;3,30,31,34,1;3,30,32,33,0;3,29,37,39,1;3,29,38,40,0;3,30,31,43,0;3,30,32,44,1;3,29,41,28,0;3,29,42,28,1;3,30,41,28,1;3,30,42,28,0;3,29,41,40,1;3,29,42,39,0;3,30,41,44,0;3,30,42,43,1;3,51,5,57,1;3,51,5,58,0;3,52,4,55,0;3,52,4,56,1;3,51,47,45,1;3,51,48,46,0;3,52,47,49,0;3,52,48,50,1;3,51,47,61,0;3,51,48,61,1;3,52,47,61,1;3,52,48,61,0;3,51,59,45,0;3,51,60,46,1;3,52,53,49,1;3,52,54,50,0;3,51,59,58,1;3,51,60,57,0;3,52,53,56,0;3,52,54,55,1],bondcolor=[blue,red] facecolor=[green,red] id=15 show=[,AA,FF]

!exit

:proc

!reset slib_option slib_scriptanim slib_format slib_animstep facecolor bondcolor atomcolor

slib_data =!item 1 of $wims_read_parm

slib_data=!declosing $slib_data

slib_option= !item -1 of $wims_read_parm

!for slib_a in animstep label,scale,box,bonds,bgcolor,bondcolor,atomcolor,facecolor,format,width,height,id, show

  !reset slib_$slib_a

  slib_$slib_a=!getopt $slib_a in $slib_option

!next slib_a

!default slib_animstep=1

!default slib_label=false

!default slib_bgcolor=white

!default slib_bondcolor=yellow

!default slib_box=true

!default slib_bonds=true

!default slib_scale=0.8

!default slib_width=400

!default slib_height=400

!default slib_id=!randint 1000,3000

slib_out=

slib_cnt_word=!wordcnt $slib_data

slib_cnt_item=!itemcnt $slib_data

!if $slib_cnt_word=1 and $slib_cnt_item=1

  slib_data=!record 0 of data/polyedre_off/$slib_data.off

  slib_format=off

  slib_atomes=$slib_data

  slib_atomes=!translate ; to $\

$ in $slib_atomes

!else

  !if $slib_animstep>1

    slib_atomes=$(slib_data[1;])

    !for slib_k=1 to $slib_animstep

      !set slib_atomes$slib_k=!item $slib_k of $slib_atomes

      !set slib_atomes$slib_k=!declosing $(slib_atomes$slib_k)

      !set slib_atomes$slib_k=!replace internal , by $ $ in $(slib_atomes$slib_k)

      !set slib_atomes$slib_k=!translate ; to $\

$ in $(slib_atomes$slib_k)

      !set slib_atomes$slib_k=!translate $	$ to $\

$ in $(slib_atomes$slib_k)

    !next

    !set slib_faces=$(slib_data[2..-1;])

    !set slib_tmp=!declosing $slib_faces

    !for slib_k=1 to $slib_animstep

      !if $slib_tmp=$slib_faces

        !set slib_faces$slib_k=$(slib_faces)

      !else

        !set slib_faces$slib_k=$(slib_tmp[$slib_k;])

      !endif

    !set slib_faces$slib_k=!replace internal , by $ $ in $(slib_faces$slib_k)

    !set slib_faces$slib_k=!translate $	$ to $\

$ in $(slib_faces$slib_k)

    !next

  !else

    slib_data=!replace internal , by $ $ in $slib_data

    slib_atomes=!translate $	$ to $\

$ in $slib_data

  !endif

!endif

!default slib_show=,AA,

!!careful confusion with slib_width in off2jmol

!set slib_width_v=$(slib_width)

!set slib_height_v=$(slib_height)

!!! FIXME: séparer en deux les deux générations de fichiers.

!if $slib_animstep=1

  !readproc slib/geo3D/off2jmol $slib_atomes,[$slib_show],[ ,[$slib_bondcolor],[$slib_facecolor]],[0.01,0.01],url distance

  !readproc slib/chemistry/jmolshow $(slib_out[2]),$slib_height_v,$slib_width_v,$slib_bgcolor,script "$(slib_out[1])"; zoom 130,$(slib_id)

!else

  !set slib_spt=yes

  !for slib_k=1 to $slib_animstep

    !set slib_dat=$(slib_atomes$slib_k)\

$(slib_faces$slib_k)

!readproc slib/geo3D/off2jmol [$slib_dat],[$slib_show],[ ,$slib_bondcolor,],[0.01,0.01],url distance id=$(slib_id)_$slib_k spt=$slib_spt

    !set slib_filespt$slib_k=$(slib_out[1])

    !set slib_scriptanim=!append item ['load $(slib_out[2]);load $(slib_filespt$slib_k)', "$[$slib_k-1]"]\

  to $slib_scriptanim

  !next

  !set slib_scriptanim=<script>Jmol.jmolRadioGroup(XXXXX,[$slib_scriptanim])</script>

  !readproc slib/chemistry/jmolshow $(slib_out[2]),$slib_height_v,$slib_width_v,$slib_bgcolor,script "$(slib_out[1])"; zoom 130,$(slib_id)

!endif

$slib_out