Subversion Repositories wimsdev

!if $wims_read_parm!=slib_header

  !goto proc

!endif

slib_author=Bernadette, Perrin-Riou

slib_example=c2h2f2,label=false scale=0.8 height=300 width=300\

cl2o,label=true scale=1 height=300 width=300

!exit

:proc

slib_data = !item 1 of $wims_read_parm

slib_option= !item -1 of $wims_read_parm

slib_atom=

!default slib_cnt=0

slib_cnt= $[$slib_cnt +1]

Préliminaires : mettre dans un fichier la correspondance

atome couleur, rayon.

!for slib_a in label,scale,box,bonds,bgcolor,bondcolor,format,width,height

  slib_$slib_a=!getopt $slib_a in $slib_option

!next slib_a

!default slib_label=false

!default slib_bgcolor=000000

!default slib_bondcolor=9966CC

!default slib_box=false

!default slib_bonds=true

!default slib_scale=0.8

!default slib_format=pdb

!default slib_width=300

!default slib_height=300

slib_out=

slib_cnt_word=!wordcnt $slib_data

!if $slib_cnt_word=1

  slib_data=!record 0 of data/molecule_pdb/$slib_data.pdb

!endif

!if $slib_format issametext pdb

  slib_nr=!linecnt $slib_data

  slib_atomes=

  slib_liens=

  slib_Atom=

  slib_data= !replace internal , by . in $slib_data

  !for slib_i=1 to $slib_nr

     slib_l=!line $slib_i of $slib_data

     slib_n=!charcnt $slib_l

     slib_nom=!char 1 to 6 of $slib_l

     slib_nom = !nospace $slib_nom

     !if $slib_nom iswordof HETATM ATOM

       slib_atom=!char 13 to 14 of $slib_l

       slib_L =!char 32 to 54 of $slib_l

       slib_L = $slib_atom $slib_L

       slib_atomes=!append line $slib_L to $slib_atomes

       slib_atom=!trim $slib_atom

       slib_atom1=!lookup $slib_atom in slib/chemistry/atom

       !if $slib_atom1!=$empty

         slib_atom2=!item 4,3 of $slib_atom1

         slib_atom2 = !items2words $slib_atom2

         slib_Atom=!append line ATOM $slib_atom $slib_atom2 to $slib_Atom

       !endif

     !endif

     !if $slib_nom issametext COMPND

       slib_nommolecule=!words 2 of $slib_l

     !endif

     !if $slib_nom issametext CONECT

       slib_L = !char 10 to -1 of $slib_l

       slib_L = !words2items $slib_L

      slib_liens=!append line $slib_L to $slib_liens

    !endif

  !next i

  slib_nbatomes=!linecnt $slib_atomes

  slib_nbliens=!linecnt $slib_liens

  !for slib_nb=1 to $slib_nbliens

    slib_r=!line $slib_nb of $slib_liens

    slib_cnt_r=!itemcnt $slib_r

    slib_lien1=!item 1 of $slib_r

    slib_lien2=!item 2 to -1 of $slib_r

    slib_lien2=!items2words $slib_lien2

    slib_r1=!line $slib_lien1 of $slib_atomes

    slib_r1=$slib_r1 $slib_lien2

    slib_atomes=!replace internal line number $slib_lien1 by $slib_r1 in $slib_atomes

  !next slib_nb

!else

  slib_atomes=$slib_data

!endif

slib_atomes=!translate $	$ to $\

$ in $slib_atomes

slib_fichier=fichier.$slib_cnt

!readproc oef/togetfile.proc $slib_fichier new\

$slib_Atom\

$slib_atomes

slib_out=$wims_ref_name?session=$session&+cmd=getfile&+special_parm=$slib_fichier

slib_out=<object type="application/x-java-applet;jpi-version=1.4" \

 classid="java:LatticeViewer.class" width="$slib_width" height="$slib_height">\

<param name="java_codebase" value="java/Lattice">\

<param name="java_code" value="LatticeViewer.class">\

<param name="java_archive" value="Lattice.jar">\

<param name="model" value="$slib_out">\

<param name="label" value="$slib_label">\

<param name="scale" value="$slib_scale">\

<param name="box" value="$slib_box">\

<param name="bonds" value="$slib_bonds">\

<param name="bgcolor" value="$slib_bgcolor">\

<param name="bondcolor" value="$slib_bondcolor">\

</object>