1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 55 56 57 58 59 60 61 62 63 64 65 66 67 68 69 70 71 72 73 74 75 76 77 78 79 80 81 82 83 84 85 86 87 88 89 90 91 92 93 94 95 96 97 98 99 100 101 102 103 104 105 106 107 108 109 110 111 112 113 114 115 116 117 118 119 120 121 122 123 124 125 126 127 128 129 130 131 132 133 134 135 136 137 138 139 140 141 142 143 144 145 146 147 148 149 150 151 152 153 154 155 156 157 158 159 160 161 162 163 164 165 166 167 168 169 170 171 172 173 174 175 176 177 178 179 180 181 182 183 184 185 186 187 188 189 190 191 192 193 194 195 196 197 198 199 200 201 202 203 204 205 206 207 208 209 210 211 212 213 214 215 216 217 218 219 220 221 222 223 224 225 226 227 228 229 230 231 232 233 234 235 236 237 238 239 240 241 242 243 244 245 246 247 248 249 250 251 252 253 254 255 256 257 258 259 260 261 262 263 264 265 266 267 268 269 270 271 272 273 274 275 276 277 278 279 280 281 282 283 284 285 286 287 288 289 290 291 292 293 294 295 296 297 298 299 300 301 302 303 304 305 306 307 308 309 310 311 312 313 314 315 316 317 318 319 320 321 322 323 324 325 326 327 328 329 330 331 332 333 334 335 336
|
!set ans_require=jmol
!reset nbsel, appletdir,nosel,Inputsize,appletType
!read lang/jmolclick.phtml.$lang
!set appletType=!getopt type in $(replyoption$i)
!set jmol_targ=!getopt target in $(replyoption$i)
!set appletdir=!getopt applet in $(replyoption$i)
!if $appletdir issametext imagedir
!set appletdir=$imagedir
!endif
!default appletType=HTML5
!default appletdir=java/jmol
!default jmol_targ=0
!set jmol_target=jmolApplet_$jmol_targ
!set anstype=yes
!set anstyle=dprompt
!set oef_js_submit=finalise()
!if $wims_read_parm=def
!exit
!endif
!!########################
!!########################
!set nbsel=!getopt nb_select in $(replyoption$i)
!!############################
!default nbsel=0
!!#### pas de message d'erreur si nbsel=0
!set nosel=!getopt noselect in $(replyoption$i)
!set nosel=!replace internal $ $ by = in $nosel
!default nosel=(none)
!if $nosel==\nosel
!set nosel=(none)
!endif
!!############################
!set file1=!rows2lines $(replygood$i)
!set file1=!replace internal ; by $\
$ in $file1
!distribute line $file1 into rg
!set file1=!line 2 to -1 of $file1
!set file1=!replace internal $ $ by $\
$ in $file1
!!! tester si c'est un fichier charger ou une variable
!set test_file=!linecnt $file1
!if $test_file=1 and | notin $file1
!if __data isin __$file1
!set temp=!record 0 of $file1
!set file0=!replace internal / by , in $file1
!readproc oef/togetfile.proc $(file0[-1]) new\
$temp
!set file=$wims_ref_name?session=$session&+cmd=getfile&+special_parm=$(file0[-1])
!else
!set file=$file1
!endif
!else
!set file=jmol_$wims_nowseconds_$i
!readproc oef/togetfile.proc $file new\
$file1
!set file=$wims_ref_name?session=$session&+cmd=getfile&+special_parm=$file
!endif
!!############# traitement des options (qui se trouvent dans \embed)
!set oef_applet_option=!replace internal $ $ by $\
$ in $inputsize
!!set oef_applet_option=!nonempty lines $oef_applet_option
!set Inputsize=!line 1 of $oef_applet_option
!set test=!text remove 0123456789x in $Inputsize
!if $test issametext $empty
!set Inputsize=!replace internal x by , in $Inputsize
!set oef_applet_option=!line 2 to -1 of $oef_applet_option
!set oef_applet_option=!declosing $oef_applet_option
!distribute items $Inputsize into xsize,ysize
!endif
!distribute lines $oef_applet_option into ans_sc0,ans_sc1,ans_sc2
!!
!default Inputsize=400,400
!for j=0 to 2
!set ans_sc$j=!trim $(ans_sc$j)
!if .spt__ isin $(ans_sc$j)__ and __data isin __$(ans_sc$j)
!set temp=!record 0 of $(ans_sc$j)
!set file0=!replace internal / by , in $(ans_sc$j)
!readproc oef/togetfile.proc $(file0[-1]) new\
$temp
!set ans_file$j=$wims_ref_name?session=$session&+cmd=getfile&+special_parm=$(file0[-1])
!reset ans_sc$j
!endif
!if __http isin __$(ans_sc$j)
!set ans_file$j=$(ans_sc$j)
!reset ans_sc$j
!endif
!next
!!###on garde les options pour le retour, variable de nom impose oef_answer_option$i
!set oef_answer_option$i=$Inputsize\
$file\
$ans_sc0$ans_file0\
$ans_sc2$ans_file2
!!############################ fin du traitement des options
!set test=!text remove 1234567890,| in $rg
!if $test issametext
!set rg=!replace internal ||| by $\
$ in $rg
!set R_=
!set rg_cnt=!linecnt $rg
!for u_ = 1 to $rg_cnt
!set l_=!line $u_ of $rg
!set l_=!trim $l_
!set l_=!nospace $l_
!set l_=!replace internal , by $ $ or atomno= in atomno=$l_
!set Rg=!append line $l_ to $Rg
!next
!set rg=!replace internal $\
$ by ||| in $Rg
!endif
!set rg=!replace internal ||| by ',' in '$rg'
!!pas d'analyse!!
!if ?analyze isin $rg
!set red=yellow
!else
!set red=red
!endif
<input type="hidden" name="reply$i" id="Clickjmolreply" value="">
!if $jmol_targ=0
!if $jquery_defined=yes
<script src="$appletdir/JSmol.min.nojq.js"></script>
!else
<script src="$appletdir/JSmol.min.js"></script>
!endif
<script src="$appletdir/Jmol2.js"></script>
!endif
<script>
/*<![CDATA[*/
function finalise(){
var score=0;
var best=0;
var selgood='';
var selbad='';
var nbselected=0;
var ch=analysesel();
if(ch!=''){
// jmolScriptWait('select '+ch+' ;');
Jmol.script($jmol_target,'select '+ch+' ;');
var nbselected = Jmol.getPropertyAsArray($jmol_target,'AtomInfo',ch).length;
var tabrep=new Array()
tab_rg= new Array($rg);
//alert(tab_rg.join()+' '+ch)
for(irep=0;irep<tab_rg.length;irep++){
tabrep=analyserep(ch,tab_rg[irep],'$nbsel');
if(score<=tabrep[3]){
selgood=tabrep[0];
selbad=tabrep[1];
selforget=tabrep[2];
score=tabrep[3];
best=irep;
feedback=selgood + '\n' + selbad + '\n' + selforget
}
}
sc_in_out=affich_rep(selgood,selbad,selforget);
var orient=Jmol.saveOrientation($jmol_target)
orient=orient.replace(/1\.0/,"0")
document.getElementById('Clickjmolreply').value=score+'\n'+ feedback +'\n'+sc_in_out+'\n'+orient;
//alert (document.getElementById('Clickjmolreply').value) ;
}else{
document.getElementById('Clickjmolreply').value='';
}
!!#########
if(nbselected==$nbsel || $nbsel==0){
document.forms[0].submit();
}else{
if($nbsel==1){
if(nbselected==0){
alert('$ans_warning1');
}else{
alert('$ans_warning2');
}
}else{
alert('$ans_warning3'+nbselected);
}
document.getElementById('Clickjmolreply').value='';
}
}
function analyse(inout,nbsel) {
var atingood = Jmol.getPropertyAsArray($jmol_target,'AtomInfo',inout[0]);
var atoutgood = Jmol.getPropertyAsArray($jmol_target,'AtomInfo',inout[0]);
}
function analysesel(arg,arg2) {
var atsel = Jmol.getPropertyAsArray($jmol_target,'AtomInfo','((selected) and not ($nosel))');
if(atsel.length>0){
var chaine='({'+atsel[0]._ipt;
for(at=1;at<atsel.length;at++){
chaine=chaine+ ' '+atsel[at]._ipt;
}
chaine=chaine+'})';
}else{
chaine='';
}
return chaine;
}
function analyserep(repetu,repgood,nbsel){
yy=Jmol.scriptWait($jmol_target,'print ('+repgood+')');
var tyy=new Array()
tyy=yy.split(",");
repgood2=tyy[tyy.length-1];
if(repgood2.substr(0,2)=="({"){repgood=repgood2.substr(0,repgood2.length-1)}
var atominfo=new Array()
atomgood=Jmol.getPropertyAsArray($jmol_target,"atominfo", repgood);
atometu=Jmol.getPropertyAsArray($jmol_target,"atominfo", repetu);
atom_good=Jmol.getPropertyAsArray($jmol_target,"atominfo", "(("+repgood+") AND ("+repetu+"))");
atom_bad=Jmol.getPropertyAsArray($jmol_target,"atominfo", "(("+repetu+") AND (NOT ("+repgood+")))");
atom_forget=Jmol.getPropertyAsArray($jmol_target,"atominfo", "(("+repgood+") AND (NOT ("+repetu+")))");
natgood=atomgood.length;
if ($nbsel>0) { natgood=nbsel}
nat_good=atom_good.length;
nat_bad=atom_bad.length;
var selbad='({';
for(i=0;i<atom_bad.length;i++){
selbad=selbad+' '+atom_bad[i]._ipt;
}
selbad=selbad+'})';
var selgood='({';
for(i=0;i<atom_good.length;i++){
selgood=selgood+' '+atom_good[i]._ipt;
}
selgood=selgood+'})';
var selforget='({';
for(i=0;i<atom_forget.length;i++){
selforget=selforget+' '+atom_forget[i]._ipt;
}
selforget=selforget+'})';
!if split iswordof $(replyoption$i) or partialscore iswordof $(replyoption$i) or eqweight iswordof $(replyoption$i)
!if eqweight iswordof $(replyoption$i)
coeff=1
!else
coeff=2
!endif
!else
coeff=0
!endif
if( coeff==0 ) {
if (nat_bad == 0 && nat_good == natgood ) { score=10 } else {score=0}
}
else {
score=Math.max(0, Math.min(1,(nat_good-coeff*nat_bad)/natgood));
}
var tabret=new Array(selgood,selbad,selforget,score)
return tabret;
}
function affich_rep(selgood,selbad,selforget){
chscript='define ~good '+selgood+';select ~good; halos 25%;color halos green;';
chscript=chscript+'define ~bad '+selbad+';select ~bad; halos 25%;color halos $red;';
chscript=chscript+'define ~forget '+selforget+';select ~forget; halos 25%;color halos orange;';
return chscript;
}
/*]]>*/
</script>
!if $ans_file0!=$empty
!set ans_sc0=script "$ans_file0";
!endif
!if $ans_file1!=$empty
!set ans_sc1=script "$ans_file1";
!endif
!set oef_answer_option$i=$Inputsize\
$file\
$ans_sc0\
$ans_sc2
!if __@ isin __$file
!set file=!char 2 to -1 of $file
!set dollar=1
!set appletType=HTML5
!endif
<script>
/*<![CDATA[*/
function mycallback(){
Jmol.script($jmol_target,'pic={atomIndex = _atomPicked}; if(pic.selected==1){select selected and not pic and not {$nosel}}else{select selected or ( pic and not {$nosel})};message "";')
}
var s = document.location.search;
jmol_isReady = function(applet) {
Console.log(applet._id + " is ready");
}
var Info = {
width: $xsize,
height: $ysize,
debug: false,
color: "white",
addSelectionOptions: false,
serverURL: "http://chemapps.stolaf.edu/jmol/jsmol/jsmol.php",
use: "$appletType",
j2sPath: "$appletdir/j2s",
jarPath: "$appletdir",
jarFile: "JmolApplet.jar",
isSigned: false,
memoryLimit: 512,
readyFunction: jmol_isReady,
disableJ2SLoadMonitor: false,
disableInitialConsole: true
}
Jmol.getApplet("$jmol_target", Info)
var sc0='$ans_sc0';
var sc1='$ans_sc1';
!if $dollar==1
var jscr='set loadFormat "https://cactus.nci.nih.gov/chemical/structure/%FILE/file?format=sdf&get3d=True";load "=$file";';
!else
var jscr='load $file;';
!endif
jscr= jscr +'selectionhalos on;select none; color selectionHalos blue;';
jscr= jscr +'set antialiasdisplay on; \n';
jscr= jscr +'set frank on;set DisablePopupMenu TRUE;hover off; \n';
jscr= jscr +'set picking;console off;\n';
jscr= jscr +'set pickcallback "mycallback";\n';
jscr= jscr +'function getnosel(){\n';
jscr= jscr +' varnosel={$nosel};\n';
jscr= jscr +' return @varnosel ;\n';
jscr= jscr +'}\n';
jscr= jscr + sc0;
jscr= jscr + sc1;
Jmol.script($jmol_target,jscr);
/*]]>*/
</script>
!!#####
|