lazar-gui 1.0.0
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- checksums.yaml +7 -0
- data/.gitignore +3 -0
- data/FAQ.md +29 -0
- data/Gemfile +7 -0
- data/README.md +15 -0
- data/VERSION +1 -0
- data/application.rb +317 -0
- data/bin/lazar-start +5 -0
- data/bin/lazar-start.sh +8 -0
- data/bin/lazar-stop +6 -0
- data/bin/lazar-stop.sh +52 -0
- data/config.ru +5 -0
- data/helper.rb +218 -0
- data/lazar-gui.gemspec +29 -0
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- data/public/stylesheets/jquery-ui.css +1186 -0
- data/test/lazarweb.rb +193 -0
- data/test/setup.rb +7 -0
- data/unicorn.rb +7 -0
- data/views/batch.haml +58 -0
- data/views/details.haml +24 -0
- data/views/error.haml +8 -0
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- data/views/significant_fragments.haml +66 -0
- data/views/style.scss +70 -0
- data/views/validation.haml +16 -0
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a.K="-NH2"):e=202;break;case 61:501==a.d?(e=250,a.lb=!0,a.K="=O"):e=203;break;case 35:e=204;break;case 48:105==a.d?fs(a,0):d?(e=223,a.lb=!0,a.K="-3-Furyl"):(e=221,a.lb=!0,a.K="-Furyl");break;case 49:105==a.d?fs(a,1):1301==a.d?(a.lb=!0,a.K="-R1",e=1302):e=209;break;case 50:105==a.d&&fs(a,2);1301==a.d&&(a.lb=!0,a.K="-R2",e=1303);break;case 51:105==a.d?fs(a,3):1301==a.d?(a.lb=!0,a.K="-R3",e=1304):e=206;break;case 52:105==a.d?fs(a,4):e=207;break;case 53:105==a.d?fs(a,5):e=208;break;case 54:105==a.d?fs(a,
|
|
79
|
+
6):e=210;break;case 55:105==a.d?fs(a,7):e=211;break;case 56:105==a.d?fs(a,8):e=212;break;case 57:105==a.d?fs(a,9):(a.lb=!0,a.K="9 ring",e=229);break;case 100:case 68:case 8:case 127:e=104;break;case 32:e=205;break;case 109:case 77:case 1002:e=151;break;case 119:case 87:case 1003:e=152}gs(a,e)}b=!0}b&&this.b.preventDefault()};_.Rc=function(){return Vr};var Vr;function hs(){hs=x;is=new Kq(Ef,new js)}function js(){}t(227,207,$h,js);_.Oc=function(a){a.uc(this)};_.Rc=function(){return is};var is;
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|
80
|
+
function Sj(){Sj=x;Tj=new Kq(Ff,new ks)}function ks(){}t(228,207,$h,ks);_.Oc=function(a){a.vc(this)};_.Rc=function(){return Tj};var Tj;function ls(){ls=x;ms=new Kq(Gf,new ns)}function ns(){}t(229,207,$h,ns);_.Oc=function(a){var b;a.f&&1==a.e&&(b=new dk(tj,null),a.c.j=a.i+b.b,a.c.k=a.j+b.e,uj(a))};_.Rc=function(){return ms};var ms;function os(){os=x;ps=new Kq(Hf,new qs)}function qs(){}t(230,207,$h,qs);_.Oc=function(a){var b;b=this.b;io((fo(),go),new rs(a,a.c,b))};_.Rc=function(){return ps};var ps;
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|
81
|
+
function Uj(){Uj=x;Vj=new Kq(If,new ss)}function ss(){}t(231,207,$h,ss);_.Oc=function(a){a.wc(this)};_.Rc=function(){return Vj};var Vj;function Zq(){this.b={}}t(232,1,{},Zq);_.b=null;t(235,208,$h);var ts=null;function us(){us=x;vs=new Kq(bh,new ws)}function ws(){}t(234,235,$h,ws);_.Oc=function(a){xs(a.b,this,a.b.n)};_.Rc=function(){return vs};var vs;function ys(){ys=x;zs=new Kq(ch,new As)}function As(){}t(236,235,$h,As);_.Oc=function(a){xs(a.b,this,a.b.n)};_.Rc=function(){return zs};var zs;
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|
82
|
+
function Bs(){var a;this.b=(a=document.createElement(he),a.setAttribute(Zf,"return;"),typeof a.ontouchstart==Ce)}t(237,1,{},Bs);function Cs(){Cs=x;Ds=new Kq(dh,new Es)}function Es(){}t(238,235,$h,Es);_.Oc=function(a){xs(a.b,this,a.b.o)};_.Rc=function(){return Ds};var Ds;function Fs(){Fs=x;Gs=new Kq(eh,new Hs)}function Hs(){}t(239,235,$h,Hs);_.Oc=function(a){Is(a.b,this)&&(a.b.k&&Js(a.b.k,a.b.c)?a.b.e=!0:(this.b.preventDefault(),Ck(a.b.d,750),a.b.e=!1))};_.Rc=function(){return Gs};var Gs;
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|
83
|
+
function Ks(a,b){this.b=b;this.c=a}function Ls(a,b,c){Ik&&(b=new Ks(b,c),a.ad(b))}t(240,203,{},Ks);_.Oc=function(a){a.Yc(this)};_.Pc=function(){return Ik};_.b=!1;var Ik=_.c=null;function Ms(a){this.b=a}t(241,203,{},Ms);_.Oc=function(a){a.Zc(this)};_.Pc=function(){return Ns};var Ns=_.b=null;function Os(){}function Ps(a){var b;Qs&&(b=new Os,a.ad(b))}t(242,203,{},Os);_.Oc=function(a){a.$c(this)};_.Pc=function(){return Qs};var Qs=null;function Rs(a){this.b=a}t(243,203,{},Rs);_.Oc=function(a){a._c(this)};
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84
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+
_.Pc=function(){return Ss};var Ss=_.b=null;function Ts(){}t(244,203,{},Ts);_.Oc=function(a){a.b.O&&a.b.Md()};_.Pc=function(){return Us};var Us=null;function Vs(a,b,c){a=a.b;if(!b)throw new Ws("Cannot add a handler with a null type");if(!c)throw new Ws("Cannot add a null handler");0<a.c?Xs(a,new Ys(a,b,c)):Zs(a,b,null,c);return new $s(new at(a,b,c))}
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85
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+
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86
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+
c?(b.f=!0,b.i=null):b.i=c}}function ut(a){vt.call(this,a,!1)}function vt(a,b){this.b=new wt(b);this.c=a}t(245,1,li,ut,vt);_.ad=function(a){ot(this,a)};_.b=null;_.c=null;t(248,1,{});function Xs(a,b){!a.b&&(a.b=new pj);jj(a.b,b)}function Zs(a,b,c,d){var e;e=sj(a.e,b);e||(e=new Ti,z(a.e,b,e));a=e.Fe(c);a||(a=new pj,e.He(c,a));a.Ff(d)}function xt(a,b,c,d){var e,f;e=pt(a,b,c);e.Hf(d)&&e.Ge()&&(f=sj(a.e,b),f.Ie(c),f.Ge()&&dj(a.e,b))}
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|
87
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+
function pt(a,b,c){a=sj(a.e,b);if(!a)return yt(),yt(),zt;c=a.Fe(c);return!c?(yt(),yt(),zt):c}t(247,248,{});_.b=null;_.c=0;_.d=!1;function wt(a){this.e=new Ti;this.d=a}t(246,247,{},wt);function $s(a){this.b=a}t(249,1,{},$s);_.b=null;function st(a){bj.call(this,At(a),Bt(a));this.b=a}function Bt(a){a=a.Fd();return!a.dd()?null:a.ed()}
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88
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+
function At(a){var b,c,d;b=a.Je();if(0==b)return null;b=new Ct(1==b?"Exception caught: ":b+" exceptions caught: ");c=!0;for(a=a.Fd();a.dd();)d=a.ed(),c?c=!1:b.b.b+="; ",d=d.Ic(),Hn(b.b,d);return b.b.b}t(251,100,vi,st);_.b=null;function tt(a){st.call(this,a)}t(250,251,vi,tt);t(252,1,{},function(){});function Dt(a){a=Eo(a,ee);return(null==a?0:zg==a||zg.toLowerCase()==a.toLowerCase())?(Et(),Ft):(null==a?0:of==a||of.toLowerCase()==a.toLowerCase())?(Et(),Gt):(Et(),Ht)}
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|
89
|
+
function Et(){Et=x;Ft=new It("RTL",0);Gt=new It("LTR",1);Ht=new It(Rb,2);Jt=K(Kt,m,16,[Ft,Gt,Ht])}function It(a,b){I.call(this,a,b)}t(254,146,{16:1,72:1,76:1,78:1},It);var Jt,Ht,Gt,Ft;function Lt(){}function Mt(a,b){var c=Array(b);if(3==a)for(var d=0;d<b;++d){var e={};e.l=e.m=e.h=0;c[d]=e}else if(0<a){e=[null,0,!1][a];for(d=0;d<b;++d)c[d]=e}return c}function y(a,b,c,d,e){d=Mt(e,d);K(a,b,c,d);return d}function Nt(a){return Ot([Pt,M],[m,s],[71,-1],a,0,2,1)}
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|
90
|
+
function Ot(a,b,c,d,e,f,g){var j,h,n;h=d[e];j=e==f-1;n=Mt(j?g:0,h);K(a[e],b[e],c[e],n);if(!j){++e;for(j=0;j<h;++j)n[j]=Ot(a,b,c,d,e,f,g)}return n}function K(a,b,c,d){Qt();var e=Rt,f=St;Qt();for(var g=0,j=e.length;g<j;++g)d[e[g]]=f[g];d.cZ=a;d.cM=b;d.qI=c;return d}function Tt(a,b,c){if(null!=c){if(0<a.qI&&(!c.cM||!c.cM[a.qI]))throw new Ut;if(-1==a.qI&&(c.tM==x||c.cM&&c.cM[1]))throw new Ut;if(-1>a.qI&&(c.tM==x||c.cM&&c.cM[1])&&(!c.cM||!c.cM[-a.qI]))throw new Ut;}a[b]=c}t(255,1,{},Lt);_.qI=0;
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|
91
|
+
function Qt(){Qt=x;Rt=[];St=[];var a=new Lt,b=Rt,c=St,d=0,e,f;for(f in a)if(e=a[f])b[d]=f,c[d]=e,++d}var Rt,St;function A(a,b){return null!=a&&a.cM&&!!a.cM[b]}function On(a){return null!=a&&a.tM!=x&&!(a.cM&&a.cM[1])}function Tn(a){return a.tM==x||a.cM&&!!a.cM[1]}function Vt(a){return null==a?null:a}function Wt(a){return~~Math.max(Math.min(a,2147483647),-2147483648)}
|
|
92
|
+
function Xt(){var a;$stats&&Yt("com.google.gwt.useragent.client.UserAgentAsserter");a=navigator.userAgent.toLowerCase();if(-1!=a.indexOf($f))a=$f;else if(-1!=a.indexOf("webkit"))a=Bg;else if(-1!=a.indexOf(Lf)&&9<=$doc.documentMode)a="ie9";else if(-1!=a.indexOf(Lf)&&8<=$doc.documentMode)a="ie8";else{var b;var c=/msie ([0-9]+)\.([0-9]+)/.exec(a);c&&3==c.length&&(b=6E3<=1E3*parseInt(c[1])+parseInt(c[2]));a=b?"ie6":-1!=a.indexOf("gecko")?"gecko1_8":"unknown"}H(Bg,a)||$wnd.alert("ERROR: Possible problem with your *.gwt.xml module file.\nThe compile time user.agent value (safari) does not match the runtime user.agent value ("+
|
|
93
|
+
a+"). Expect more errors.\n");$stats&&Yt("com.google.gwt.user.client.DocumentModeAsserter");b=$doc.compatMode;a=K(Zt,m,1,[Lb]);for(c=0;c<a.length&&!H(a[c],b);++c);$stats&&Yt("com.allen_sauer.gwt.dnd.client.util.DragEntryPoint");$wnd.$GWT_DND_VERSION="3.0.0";yq();Bq.unshift("HTML{margin:0 !important;border:none !important;}.dragdrop-handle{cursor:move;user-select:none;-khtml-user-select:none;-moz-user-select:none;}.GBVTBU-BB{zoom:1;}.dragdrop-dragging{zoom:normal;}.GBVTBU-BI{border:1px dashed #1e90ff;margin:0 !important;zoom:1;z-index:100;}.dragdrop-flow-panel-positioner{color:#1e90ff;display:inline;text-align:center;vertical-align:middle;}.dragdrop-proxy{background-color:#7af;}.dragdrop-selected,.dragdrop-dragging,.dragdrop-proxy{filter:alpha(opacity \\= 30);opacity:0.3;}.dragdrop-movable-panel{z-index:200;margin:0 !important;border:none !important;}");
|
|
94
|
+
yq();0!=Bq.length&&(a=Bq.join(l),b=(Cq(),Dq),a=Fq(a),Gq(b).insertBefore(a,b.b.firstChild),Bq.length=0);0!=zq.length&&(a=zq.join(l),b=(Cq(),Dq),a=Fq(a),Gq(b).appendChild(a),zq.length=0);0!=Aq.length&&(a=Aq.join(l),b=(Cq(),Dq),a=Fq(a),Gq(b).appendChild(a),Aq.length=0);$stats&&Yt("export.client.JSME_export");new $t;new au;0<bu(null)?io((fo(),go),new cu):du()}function aj(a){return A(a,87)?a:new Ln(a)}function eu(a){return fu(a&4194303,~~a>>22&4194303,0>a?1048575:0)}
|
|
95
|
+
function gu(a){return fu(a.l,a.m,a.h)}function fu(a,b,c){return _=new hu,_.l=a,_.m=b,_.h=c,_}
|
|
96
|
+
function iu(a,b){var c,d,e,f,g;if(0==b.l&&0==b.m&&0==b.h)throw new ju;if(0==a.l&&0==a.m&&0==a.h)return ku=fu(0,0,0),fu(0,0,0);if(524288==b.h&&0==b.m&&0==b.l)return c=a,524288==c.h&&0==c.m&&0==c.l?(ku=fu(0,0,0),c=gu((lu(),mu))):(ku=fu(c.l,c.m,c.h),c=fu(0,0,0)),c;g=!1;0!=~~b.h>>19&&(b=nu(b),g=!0);e=b.l;0!=(e&e-1)?f=-1:(d=b.m,0!=(d&d-1)?f=-1:(c=b.h,f=0!=(c&c-1)||0==c&&0==d&&0==e?-1:0==c&&0==d&&0!=e?ou(e):0==c&&0!=d&&0==e?ou(d)+22:0!=c&&0==d&&0==e?ou(c)+44:-1));c=d=e=!1;if(524288==a.h&&0==a.m&&0==a.l)if(e=
|
|
97
|
+
d=!0,-1==f)a=gu((lu(),pu)),c=!0,g=!g;else return c=qu(a,f),g&&ru(c),ku=fu(0,0,0),c;else 0!=~~a.h>>19&&(e=!0,a=nu(a),c=!0,g=!g);if(-1!=f){c=a;d=f;f=g;g=e;e=qu(c,d);f&&ru(e);var j;22>=d?(f=c.l&(1<<d)-1,j=c=0):44>=d?(f=c.l,j=c.m&(1<<d-22)-1,c=0):(f=c.l,j=c.m,c=c.h&(1<<d-44)-1);c=fu(f,j,c);g?ku=nu(c):ku=fu(c.l,c.m,c.h);return e}if(!su(a,b))return e?ku=nu(a):ku=fu(a.l,a.m,a.h),fu(0,0,0);c=c?a:fu(a.l,a.m,a.h);var h,n,o,r;f=tu(b)-tu(c);h=f&63;22>h?(j=b.l<<h,n=b.m<<h|~~b.l>>22-h,h=b.h<<h|~~b.m>>22-h):44>
|
|
98
|
+
h?(j=0,n=b.l<<h-22,h=b.m<<h-22|~~b.l>>44-h):(n=j=0,h=b.l<<h-44);j=fu(j&4194303,n&4194303,h&1048575);for(n=fu(0,0,0);0<=f;){h=c;var q=r=o=void 0,q=h.h-j.h;0>q?h=!1:(o=h.l-j.l,r=h.m-j.m+(~~o>>22),q+=~~r>>22,0>q?h=!1:(h.l=o&4194303,h.m=r&4194303,h.h=q&1048575,h=!0));if(h&&(22>f?n.l|=1<<f:44>f?n.m|=1<<f-22:n.h|=1<<f-44,0==c.l&&0==c.m&&0==c.h))break;h=j.m;o=j.h;r=j.l;j.h=~~o>>>1;j.m=~~h>>>1|(o&1)<<21;j.l=~~r>>>1|(h&1)<<21;--f}g&&ru(n);e?(ku=nu(c),d&&(ku=uu(ku,(lu(),mu)))):ku=fu(c.l,c.m,c.h);return n}
|
|
99
|
+
function ru(a){var b,c,d;b=~a.l+1&4194303;c=~a.m+(0==b?1:0)&4194303;d=~a.h+(0==b&&0==c?1:0)&1048575;a.l=b;a.m=c;a.h=d}function tu(a){var b;b=vu(a.h);return 32==b?(b=vu(a.m),32==b?vu(a.l)+32:b+20-10):b-12}var ku=null;function wu(a,b){var c,d;c=a.l+b.l;d=a.m+b.m+(~~c>>22);return fu(c&4194303,d&4194303,a.h+b.h+(~~d>>22)&1048575)}function xu(a,b){return fu(a.l&b.l,a.m&b.m,a.h&b.h)}function yu(a,b){return a.l==b.l&&a.m==b.m&&a.h==b.h}
|
|
100
|
+
function N(a){var b,c,d;if(isNaN(a))return lu(),zu;if(-9223372036854775E3>a)return lu(),Au;if(9223372036854775E3<=a)return lu(),pu;d=!1;0>a&&(d=!0,a=-a);c=0;17592186044416<=a&&(c=Wt(a/17592186044416),a-=17592186044416*c);b=0;4194304<=a&&(b=Wt(a/4194304),a-=4194304*b);a=Wt(a);b=fu(a,b,c);d&&ru(b);return b}function Bu(a){var b,c;return-129<a&&128>a?(b=a+128,null==Cu&&(Cu=y(Du,m,17,256,0)),c=Cu[b],!c&&(c=Cu[b]=eu(a)),c):eu(a)}
|
|
101
|
+
function Eu(a){var b=Bh,c,d;c=~~a.h>>19;d=~~b.h>>19;return 0==c?0!=d||a.h>b.h||a.h==b.h&&a.m>b.m||a.h==b.h&&a.m==b.m&&a.l>b.l:!(0==d||a.h<b.h||a.h==b.h&&a.m<b.m||a.h==b.h&&a.m==b.m&&a.l<=b.l)}function su(a,b){var c,d;c=~~a.h>>19;d=~~b.h>>19;return 0==c?0!=d||a.h>b.h||a.h==b.h&&a.m>b.m||a.h==b.h&&a.m==b.m&&a.l>=b.l:!(0==d||a.h<b.h||a.h==b.h&&a.m<b.m||a.h==b.h&&a.m==b.m&&a.l<b.l)}
|
|
102
|
+
function Fu(a,b){var c,d,e,f,g,j,h,n,o,r,q,u,v,D;c=a.l&8191;d=~~a.l>>13|(a.m&15)<<9;e=~~a.m>>4&8191;f=~~a.m>>17|(a.h&255)<<5;g=~~(a.h&1048320)>>8;j=b.l&8191;h=~~b.l>>13|(b.m&15)<<9;n=~~b.m>>4&8191;o=~~b.m>>17|(b.h&255)<<5;r=~~(b.h&1048320)>>8;q=c*j;v=d*j;u=e*j;D=f*j;g*=j;0!=h&&(v+=c*h,u+=d*h,D+=e*h,g+=f*h);0!=n&&(u+=c*n,D+=d*n,g+=e*n);0!=o&&(D+=c*o,g+=d*o);0!=r&&(g+=c*r);c=(q&4194303)+((v&511)<<13);q=(~~q>>22)+(~~v>>9)+((u&262143)<<4)+((D&31)<<17)+(~~c>>22);u=(~~u>>18)+(~~D>>5)+((g&4095)<<8)+(~~q>>
|
|
103
|
+
22);return fu(c&4194303,q&4194303,u&1048575)}function nu(a){var b,c;b=~a.l+1&4194303;c=~a.m+(0==b?1:0)&4194303;return fu(b,c,~a.h+(0==b&&0==c?1:0)&1048575)}function qu(a,b){var c,d,e,b=b&63;c=a.h;(d=0!=(c&524288))&&(c|=-1048576);22>b?(e=~~c>>b,d=~~a.m>>b|c<<22-b,c=~~a.l>>b|a.m<<22-b):44>b?(e=d?1048575:0,d=~~c>>b-22,c=~~a.m>>b-22|c<<44-b):(e=d?1048575:0,d=d?4194303:0,c=~~c>>b-44);return fu(c&4194303,d&4194303,e&1048575)}
|
|
104
|
+
function uu(a,b){var c,d;c=a.l-b.l;d=a.m-b.m+(~~c>>22);return fu(c&4194303,d&4194303,a.h-b.h+(~~d>>22)&1048575)}function O(a){return a.l|a.m<<22}function Gu(a){var b,c,d;if(0==a.l&&0==a.m&&0==a.h)return ab;if(524288==a.h&&0==a.m&&0==a.l)return"-9223372036854775808";if(0!=~~a.h>>19)return Ba+Gu(nu(a));for(c=l;!(0==a.l&&0==a.m&&0==a.h);){b=Bu(1E9);a=iu(a,b);b=l+O(ku);if(!(0==a.l&&0==a.m&&0==a.h))for(d=9-b.length;0<d;--d)b=ab+b;c=b+c}return c}var Cu=null;
|
|
105
|
+
function lu(){lu=x;pu=fu(4194303,4194303,524287);Au=fu(0,0,524288);mu=Bu(1);Bu(2);zu=Bu(0)}var pu,Au,mu,zu;function hu(){}t(264,1,{17:1},hu);function Yt(a){$stats({moduleName:$moduleName,sessionId:$sessionId,subSystem:"startup",evtGroup:"moduleStartup",millis:(new Date).getTime(),type:"onModuleLoadStart",className:a})}function Hu(a,b,c){this.d=this.c=0;this.b=c;this.f=b;this.e=a}t(269,1,{},Hu);_.b=0;_.c=0;_.d=0;_.e=null;_.f=0;function Iu(a,b){Hn(a.b.b,b.b);return a}function Ju(){this.b=new Ku}
|
|
106
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function By(a,b,c){var d;Cy(a,b);c&&b.b?(Cy(a,null),a=b.b,b=(fo(),go),b.d=jo(b.d,[new Dy(a),!1])):null!=b.d&&(a.k=new Ey(a,b),c=(fx(),nx),a.k.M=c,a.k.U=a.i,a.k.pd()[Gd]=Se,d=mw(a.hb),H(Re,d)||oj(a.k,d+"Popup"),qw(a.k,new zy(a),Ik?Ik:Ik=new Jk),a.o=b.d,d=a.k,a=new Fy(a,b),d.hb.style[mh]=Ve,cx(d),a.b.p?bx(a.b.k,mk(a.b.hb)+G(a.b.hb,Yf)-1,ok(a.c.hb)):bx(a.b.k,mk(a.c.hb),ok(a.b.hb)+G(a.b.hb,Xf)-1),d.hb.style[mh]=nh)}function Gy(a,b){if(b||!(a.n&&a.o==a.n.d))Cy(a,b),Hy(a.hb),b&&a.e&&By(a,b,!1)}
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_.f=!1;_.i=0;_.j=0;_.k=0;_.n=!1;_.o=null;function SD(a,b){var c,d,e,f,g;c=l;if(null!=b){d=0;for(f=0,g=b.length;f<g;++f){e=b[f];if(A(e,1)&&(e=Yn(e),!(Wn(),!/[^,:{}\[\]0-9.\-+Eaeflnr-u \n\r\t]/.test(e.replace(/"(\\.|[^"\\])*"/g,l)))))return;c+=e;d<b.length-1&&(c+=ya);++d}}typeof a==Ce?($wnd.alert("A JavaScript function name is expected, not a the function itself"),c=$wnd.eval(Uc+c+Xc),a.apply(c)):(evalString=a+ua+c+");",$wnd.eval(evalString))}
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263
|
+
function TD(a){var b;if(null==a||0==a.length){try{$wnd.console.log('JSME installation warning: invalid size or not specified size of DOM element: "'+a+'", Using "100%".')}catch(c){}return db}b=a.charCodeAt(a.length-1);return null!=String.fromCharCode(b).match(/\d/)||46==b?a+kg:a}function bu(a){var a=new UD(a),b,c,d,e,f;b=$doc.getElementsByTagName(he);f=b.length;a.d=[];for(d=0;d<f;++d)e=b[d],c=e.getAttribute(Kd)||l,c==a.b&&(c=a.d,c[c.length]=e);for(a.c=0;VD(a););return a.c}t(477,1,{});t(476,477,{});
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264
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_.c=null;_.d=1;_.e=-1;function WD(a){this.b=a;this.c=new XD(this.b);this.d=this.e=1}t(475,476,{},WD);_.b=null;function Er(a,b){var c=a.b;c.wb&&(null!=b&&0<b.length?(!c.xb&&(c.xb=new bs(c)),YD(c.xb,b)):(c.lb=!0,c.K="ERROR - empty or null structure",ZD(c)))}function XD(a){this.b=a}t(478,1,{},XD);_.Ne=function(a){Er(this,a)};_.b=null;function $D(a){this.b=a}t(479,1,{},$D);_.b=null;function aE(a,b,c,d,e){this.f=a;this.c=b;this.e=c;this.d=d;this.b=e}t(480,1,{},aE);
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265
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_.Oe=function(){Qw(this.f.i,this.c,G(this.f.hb,Yf)-this.e-this.d,G(this.f.hb,Xf)-(this.b-this.d))};_.b=0;_.c=null;_.d=0;_.e=0;_.f=null;function bE(a,b,c,d,e){this.f=a;this.c=b;this.e=c;this.d=d;this.b=e}t(481,1,{},bE);_.Oe=function(){Qw(this.f.i,this.c,G(this.f.hb,Yf)-this.e-this.d,G(this.f.hb,Xf)-(this.b-this.d))};_.b=0;_.c=null;_.d=0;_.e=0;var cE=_.f=null;
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266
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+
function dE(){dE=x;cE=new Hu((Wu(),new Vu("data:image/png;base64,iVBORw0KGgoAAAANSUhEUgAAAB0AAAAQCAYAAADqDXTRAAAAo0lEQVR42rWVQQ7AIAgEib33KV4b//+bfoK2h0ZUIKxGkz00AZdRoUTEqYrKKw6qtLmIuo/YZn9xy6ZyI29DGTNLq1KGTBdoVUqPwIqFFkLp0WKr4Pek5YCoGKVGe9xG3BeTu7zBFHiNMsc17YyH4517iUTnJQwsZWG60nNNwRwzrqaTtE2xDBijI9AchSip2gaO1CKDd7p/4LPRNlt/bYohpwcTQ8BgJmw3MgAAAABJRU5ErkJggg==")),29,16)}
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267
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function eE(){eE=x;fE=K(Zt,m,1,["Copyright (c) 2013, Novartis Institutes for BioMedical Research Inc. and Bruno Bienfait.","All rights reserved."]);gE=(qB(),tB);hE=FB(gE);iE=y(jE,m,44,23,0);kE=y(Zt,m,1,23,0);lE=y(jE,m,44,7,0);mE=null!=(hD(),iD[Ze]);nE=y(oE,m,48,100,0);pE=y(qE,m,49,100,0)}function rE(a){var b;if(a.Gb)b=sE(a,1)+rb+sE(a,2)+rb+sE(a,3);else if(b=sE(a,0),0<b.length){var c=new tE(a.$);jj(a.ab.b,c)}return b}
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268
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+
function uE(a,b){var c,d;c=b.b;if(H(c,(vE(),wE).c))$r(xE(a));else if(H(c,yE.c))$r(zr(a));else if(H(c,zE.c))a.wb&&as(a.v,(!a.xb&&(a.xb=new bs(a)),a.xb));else if(H(c,vg)){7!=a.P&&(a.Q=Bh);d=b.d;d=Fu(d,th);c=uu(d,a.Q);var e=!su(c,Bh)?nu(c):c;!su(e,Hh)&&AE(a.$,O(c));BE(a);a.nb=!0;ZD(a);a.P=7;a.Q=d}else H(c,Cg)||(H(c,qe)?CE(a):DE(a,c))}
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269
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+
function EE(a,b,c,d){var e,f,g,j,h,n,o,r,q;if(!a.rb&&(j=c-b+1,!(0>=j||b>a.vb||c>a.vb))){h=a.C;e=y(FE,m,-1,4,1);o=y(FE,m,-1,99,1);g=q=r=0;for(f=b;f<=c;++f)GE(a.gb[f],e),r+=e[2],q+=e[3],e[3]>g&&(g=e[3]),o[f]=e[2],2==d&&(o[f]=e[3]);a.A&&(r+=25*(j+1),q+=25*(j+1),g+=25);(0==a.D.c||0==a.D.b)&&(a.D=DA(a));0==a.D.c&&(a.D.c=400);0==a.D.b&&(a.D.b=300);n=f=1;e=a.D.c;j=a.D.b;a.A||(e-=a.Z,j-=3*a.Z);1==d||3==d?e=~~((e-48)/2):2==d&&(j=~~(j/2));r>=e&&(f=e/r);g>=j&&(n=j/g);g=0;a.A&&(a.C=f<n?f:n,g=25*e/r,2==d&&(g=
|
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270
|
+
25*j/q));for(f=b;f<=c;++f)2==d?o[f]=o[f]*j/q:o[f]=o[f]*e/r;r=-e/2;q=0;1==d?r=-e-24:3==d?r=24:2==d&&(r=0,q=-j);for(f=b;f<=c;++f){if(a.A){for(b=1;b<=a.gb[f].u;++b)a.gb[f].K[b]*=a.C,a.gb[f].N[b]*=a.C;HE(a.gb[f])}2==d?q+=o[f]/2+g:r+=o[f]/2+g;for(b=1;b<=a.gb[f].u;++b)a.gb[f].K[b]+=r,a.gb[f].N[b]+=q;2==d?q+=o[f]/2:r+=o[f]/2;a.A||IE(a.gb[f])}a.C*=h}}
|
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271
|
+
function JE(a){var b;a.nb=!0;a.d=202;a.qb=!1;if(0!=a.vb){a.nb=!0;a.i=!0;for(b=a.f;b<a.vb;++b)a.gb[b]=a.gb[b+1];--a.vb;a.f=a.vb;0<a.vb?a.$=a.gb[a.f]:(a.$=new KE(a),a.$.s=0);null!=a.tb&&SD(a.tb,null)}}function LE(a,b){var c,d,e,f;f=new yC;d=Gc;c="MOL";e="MOL or SDF";b&&(d="SMIRKS",e=c=Bc);d=new rC(Qb+d);var g=(vE(),wE).c;d.d=g;xC(f,d);KA(d.e,a);d=new rC(Qb+c);d.d=yE.c;KA(d.e,a);xC(f,d);a.wb&&(xC(f,new rC(Ba)),c=a.yb,null==c&&(c="Paste "+e),d=new rC(c),d.d=zE.c,KA(d.e,a),xC(f,d));Hz(a,f);return f}
|
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272
|
+
function ME(a,b,c,d){var e,f,g,j,h,n,o;f=100*d+c;h=(c-1)*(a.Z+a.T);g=(d-1)*(a.Z+a.T);1==c&&2<d&&(g-=2*a.Z);T(b,gE);a.pb?(f==a.d&&T(b,GB(gE)),fC(b,h,g,a.Z,a.Z),T(b,(qB(),vB)),NE(b,h,g,a.Z-1,a.Z-1)):f==a.d?eC(b,h+1,g+1,a.Z,a.Z,!1):eC(b,h,g,a.Z,a.Z,!0);if(!(1301==f&&!a.Fb||107==f&&!a.Db))if(201!=f||a.Pb)if(103!=f||a.kb)if(!(105==f&&!a.ub&&!a.r)&&(109!=f||a.Gb))if(c=~~(a.Z/4),3>d)switch(T(b,(qB(),xB)),f){case 101:T(b,AB);f=h+3;d=g+3;c=a.Z-6;e=a.Z-6;OE(b,!0);PE(b,QE(b,f,d,c,e));T(b,xB);f=h+3;d=g+3;c=a.Z-
|
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273
|
+
6;e=a.Z-6;b.o&&(OE(b,!1),PE(b,QE(b,f,d,c,e)));RE(b,h+6,g+6,a.Z-12,a.Z-12,-35,-110);fC(b,h+9,g+9,2,4);fC(b,h+a.Z-10,g+9,2,4);0.04>Math.random()&&(T(b,yB),fC(b,h+10,g+18,4,4));0.96<Math.random()&&(T(b,AB),fC(b,h+a.Z-10,g+8,2,3));break;case 112:d=h+c;e=h+a.Z-c;j=h+~~(a.Z/2);U(b,d,g+a.Z-c,j,g+~~(a.Z/2));U(b,h+~~(a.Z/2),g+~~(a.Z/2),e,g+a.Z-c);n=g+a.Z-c;f=~~(a.Z/24);U(b,j-f,n,j-2*f,n);U(b,j+f,n,j+2*f,n);T(b,BB);U(b,d,g+c,j,g+~~(a.Z/2));U(b,h+~~(a.Z/2),g+~~(a.Z/2),e,g+c);n=g+c;U(b,j-f,n,j-2*f,n);U(b,j+f,
|
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274
|
+
n,j+2*f,n);T(b,xB);break;case 107:T(b,zB);fC(b,h+4,g+4,a.Z-8,a.Z-8);T(b,xB);NE(b,h+4,g+4,a.Z-8,a.Z-8);RE(b,h+6,g+6,a.Z-11,a.Z-12,-35,-110);fC(b,h+9,g+9,2,4);fC(b,h+a.Z-10,g+9,2,4);break;case 108:f=~~(a.Z/4);U(b,h+f,g+a.Z-f,h+a.Z-f,g+f);f=~~(a.Z/2)-f;d=g+~~(2*a.Z/3);h+=~~(a.Z/2);U(b,h,d,h+f,d);g+=~~(a.Z/3);a=h-f;U(b,a,g,h,g);h=~~((a+h)/2);g-=~~(f/2);U(b,h,g,h,g+f);break;case 113:a.Jb&&(f=~~(c/2),d=a.Z-2*c-2*f,c=h+f+c,e=g+(c-h),T(b,DB),NE(b,c,e,d,d),T(b,wB),j=h+~~(a.Z/2),a=g+~~(a.Z/2),n=c+d,o=g+f,g=
|
|
275
|
+
o+f,U(b,c,g,j,o),U(b,j,o,n,g),g=e+d+f,o=g+f,U(b,c,g,j,o),U(b,j,o,n,g),h+=f,n=h+f,g=e+d,U(b,n,e,h,a),U(b,h,a,n,g),h=c+d+f,n=h+f,U(b,h,e,n,a),U(b,n,a,h,g));break;case 110:SE(b,h,g,a.Z,!0);break;case 111:SE(b,h,g,a.Z,!1);break;case 109:U(b,h+c,g+~~(a.Z/2),h+a.Z-c,g+~~(a.Z/2));U(b,h+a.Z-c,g+~~(a.Z/2),h+a.Z-~~(3*c/2),g+~~(a.Z/2)+~~(c/2));U(b,h+a.Z-c,g+~~(a.Z/2),h+a.Z-~~(3*c/2),g+~~(a.Z/2)-~~(c/2));break;case 102:T(b,rB);fC(b,h+3,g+5,a.Z-7,a.Z-11);T(b,xB);NE(b,h+3,g+5,a.Z-7,a.Z-11);break;case 103:T(b,gE);
|
|
276
|
+
a.qb&&eC(b,h+1,g+1,a.Z,a.Z,!1);T(b,xB);TE(a,b,h,g,"NEW");break;case 106:T(b,yB);U(b,h+7,g+7,h+a.Z-7,g+a.Z-7);U(b,h+8,g+7,h+a.Z-6,g+a.Z-7);U(b,h+7,g+a.Z-7,h+a.Z-7,g+7);U(b,h+8,g+a.Z-7,h+a.Z-6,g+7);T(b,xB);U(b,h+c,g+~~(a.Z/2),h+12,g+~~(a.Z/2));TE(a,b,h+6,g,vc);break;case 104:T(b,yB);U(b,h+7,g+7,h+a.Z-7,g+a.Z-7);U(b,h+8,g+7,h+a.Z-6,g+a.Z-7);U(b,h+7,g+a.Z-7,h+a.Z-7,g+7);U(b,h+8,g+a.Z-7,h+a.Z-6,g+7);T(b,xB);break;case 105:a.Ob?(T(b,CB),U(b,h+11,g+5,h+9,g+9),U(b,h+9,g+9,h+4,g+9),U(b,h+4,g+9,h+8,g+12),U(b,
|
|
277
|
+
h+8,g+12,h+6,g+18),U(b,h+6,g+18,h+11,g+15),U(b,h+12,g+5,h+14,g+9),U(b,h+14,g+9,h+19,g+9),U(b,h+19,g+9,h+15,g+12),U(b,h+15,g+12,h+17,g+18),U(b,h+17,g+18,h+12,g+15),T(b,xB)):TE(a,b,h,g,"123");break;case 114:T(b,EB);f=a.Z-8;d=h+~~((a.Z-f)/2);c=g+~~((a.Z-f)/2);fC(b,d,c,f,f);T(b,xB);UE(a,b,h,g,rB,"i");break;case 201:U(b,h+c,g+~~(a.Z/2),h+a.Z-c,g+~~(a.Z/2)+2);U(b,h+c,g+~~(a.Z/2),h+a.Z-c,g+~~(a.Z/2)-2);U(b,h+a.Z-c,g+~~(a.Z/2)+2,h+a.Z-c,g+~~(a.Z/2)-2);break;case 202:U(b,h+c,g+~~(a.Z/2),h+a.Z-c,g+~~(a.Z/2));
|
|
278
|
+
break;case 203:U(b,h+c,g+~~(a.Z/2)-2,h+a.Z-c,g+~~(a.Z/2)-2);U(b,h+c,g+~~(a.Z/2)+2,h+a.Z-c,g+~~(a.Z/2)+2);break;case 204:U(b,h+c,g+~~(a.Z/2),h+a.Z-c,g+~~(a.Z/2));U(b,h+c,g+~~(a.Z/2)-3,h+a.Z-c,g+~~(a.Z/2)-3);U(b,h+c,g+~~(a.Z/2)+3,h+a.Z-c,g+~~(a.Z/2)+3);break;case 205:U(b,h+~~(c/2),g+2*c+~~(c/3),h+3*~~(c/2),g+2*c-~~(c/3));U(b,h+3*~~(c/2),g+2*c-~~(c/3),h+5*~~(c/2),g+2*c+~~(c/3));U(b,h+5*~~(c/2),g+2*c+~~(c/3),h+7*~~(c/2),g+2*c-~~(c/3));break;case 206:VE(a,b,h,g+2,3);break;case 207:VE(a,b,h,g,4);break;
|
|
279
|
+
case 208:VE(a,b,h,g,5);break;case 209:VE(a,b,h,g,1);break;case 210:VE(a,b,h,g,6);break;case 211:VE(a,b,h,g,7);break;case 212:VE(a,b,h,g,8);break;case 213:TE(a,b,h,g,"FG"),a.G=new uC(h,g)}else d=3,301==f?d=3:401==f?d=4:501==f?d=5:601==f?d=8:701==f?d=9:801==f?d=10:901==f?d=11:1001==f?d=12:1101==f?d=7:1201==f?d=18:1301==f&&(d=19),(a.Sb||1201!=f)&&null!=kE[d]&&UE(a,b,h,g,iE[d],kE[d])}
|
|
280
|
+
function WE(a){var b,c,d;a.lb&&(null==a.K&&(a.K=l),d=a.J.b,c=a.D.c-a.Z,b=a.Z,T(d,gE),fC(d,0,0,c,b),a.pb?(T(d,(qB(),vB)),NE(d,-1,0,c,b-1)):(T(d,hE),U(d,0,0,c-1-2,0),T(d,GB(gE)),U(d,0,b-1,c-1,b-1),U(d,c-1,0,c-1,b-1)),XE(d,a.Y),T(d,(qB(),xB)),-1!=a.K.toLowerCase().indexOf(re)&&T(d,yB),YE(d,a.K,10,15),ZE(a.Vb,a.J,a.Z,a.D.b-a.Z))}
|
|
281
|
+
function $E(a){var b,c,d,e;if(a.mb){d=a.R.b;c=a.Z;b=a.D.b-2*a.Z-a.T;T(d,gE);fC(d,0,0,c,b);a.pb?(T(d,(qB(),vB)),U(d,0,b-1,c,b-1),e=aF*(a.Z+a.T)+2,U(d,0,e,c,e),U(d,0,e,0,b),U(d,a.Z-1,e,a.Z-1,b-a.Z)):(T(d,hE),U(d,0,0,0,b-1),U(d,0,aF*a.Z,b-1,aF*a.Z),T(d,GB(gE)),U(d,c-1,0,c-1,b-1-a.Z),U(d,0,b-1,c-1,b-1));for(b=3;b<=aF+2;++b)ME(a,d,1,b);ZE(a.Vb,a.R,0,2*a.Z+a.T)}}
|
|
282
|
+
function bF(a){var b,c,d,e;if(a.nb){e=a.db.b;c=a.D.c-a.Z;b=a.D.b-3*a.Z-a.T;T(e,a.u);fC(e,0,0,c,b);d=a.eb?(BC(),EC):(BC(),GC);if((BC(),CC)==(BC(),CC))d==EC?e.b=l:e.b=Ig;d=new PA(a.fb);(e.o=d)&&d&&(e.c='stroke-width="'+d.f+fa);for(d=1;d<=a.vb;++d){var f=a.gb[d],g=e,j=void 0,h=void 0,n=void 0,o=void 0,r=void 0,q=n=void 0,u=void 0,v=void 0,D=void 0,E=D=r=o=void 0,J=void 0,Q=void 0,tb=o=v=r=j=void 0,X=o=j=void 0,L=h=r=h=void 0,ea=D=Q=void 0,J=h=q=r=r=E=u=L=j=X=X=v=L=J=q=X=L=u=ea=q=J=n=Q=o=v=v=E=J=void 0,
|
|
283
|
+
D=Q=1,n=2,ea=3;f.x&&(HE(f),EE(f.o,1,f.o.vb,0),f.x=!1);n*=f.o.C;ea*=f.o.C;j=1;0.7>f.o.C&&(j=1.2);j=O(N(cF(13*f.o.C*j)));dF(f.o,j);f.o.B&&(T(g,(qB(),xB)),NE(g,0,0,f.o.D.c-1,f.o.D.b-1));if(0!=f.u){if(-1==f.k){o=O(N(Math.round(12*n)));for(j=1;j<=f.u;++j)0<f.e[j]&&7>f.e[j]&&(T(g,(eE(),lE)[f.e[j]]),h=g,r=Wt(f.K[j]-o/2),X=Wt(f.N[j]-o/2),L=u=o,OE(h,!0),PE(h,QE(h,r,X,u,L)));for(j=1;j<=f.v;++j)h=f.I[j],o=f.J[j],0!=f.e[h]&&f.e[h]==f.e[o]&&(T(g,(eE(),lE)[f.e[h]]),J=f.K[o]-f.K[h],Q=f.N[o]-f.N[h],D=Math.sqrt(J*
|
|
284
|
+
J+Q*Q),1>D&&(D=1),Q/=D,D=J/D,q=3*ea*Q,J=3*ea*D,X=y(M,s,-1,4,1),r=y(M,s,-1,4,1),X[0]=Wt(f.K[h]+q),r[0]=Wt(f.N[h]-J),X[1]=Wt(f.K[o]+q),r[1]=Wt(f.N[o]-J),X[2]=Wt(f.K[o]-q),r[2]=Wt(f.N[o]+J),X[3]=Wt(f.K[h]-q),r[3]=Wt(f.N[h]+J),o=g,h=X,OE(o,!0),PE(o,eF(o,h,r,4,!0)))}for(j=1;j<=f.v;++j){T(g,(qB(),xB));h=f.I[j];o=f.J[j];1==f.k&&0!=f.e[h]&&f.e[h]==f.e[o]&&T(g,(eE(),lE)[f.e[h]]);if(3==f.C[j]||4==f.C[j])r=h,h=o,o=r;L=f.K[h];u=f.N[h];X=f.K[o];r=f.N[o];if(1!=f.t[j]||0!=f.C[j])J=X-L,Q=r-u,D=Math.sqrt(J*J+Q*Q),
|
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285
|
+
1>D&&(D=1),Q/=D,D=J/D;switch(f.t[j]){case 2:10<=f.C[j]&&T(g,BB);q=n*Q;J=n*D;U(g,O(N(Math.round(L+q))),O(N(Math.round(u-J))),O(N(Math.round(X+q))),O(N(Math.round(r-J))));U(g,O(N(Math.round(L-q))),O(N(Math.round(u+J))),O(N(Math.round(X-q))),O(N(Math.round(r+J))));T(g,xB);break;case 3:o=O(N(Math.round(L)));h=O(N(Math.round(u)));X=O(N(Math.round(X)));r=O(N(Math.round(r)));U(g,o,h,X,r);L=O(N(Math.round(ea*Q)));u=O(N(Math.round(ea*D)));U(g,o+L,h-u,X+L,r-u);U(g,o-L,h+u,X-L,r+u);break;case 9:case 0:for(h=
|
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286
|
+
0;10>h;++h)v=L-(L-X)/10*h,E=u-(u-r)/10*h,U(g,O(N(Math.round(v))),O(N(Math.round(E))),O(N(Math.round(v))),O(N(Math.round(E))));XE(g,f.o.n);o=fF(f.o.o);J=f.f[j];h=sb;null!=J&&(h=J);J=JC(f.o.o,h);L=O(N(Math.round((L+X)/2-J/2)));q=O(N(Math.round((u+r)/2+~~(o/2)-1)));T(g,BB);YE(g,h,L,q);T(g,xB);break;default:if(1==f.C[j]||3==f.C[j])q=ea*Q,J=ea*D,E=y(M,s,-1,3,1),v=y(M,s,-1,3,1),E[0]=O(N(Math.round(X+q))),v[0]=O(N(Math.round(r-J))),E[1]=O(N(Math.round(L))),v[1]=O(N(Math.round(u))),E[2]=O(N(Math.round(X-
|
|
287
|
+
q))),v[2]=O(N(Math.round(r+J))),o=g,h=E,r=v,OE(o,!0),PE(o,eF(o,h,r,3,!0));else if(2==f.C[j]||4==f.C[j]){q=ea*Q;J=ea*D;for(h=0;10>h;++h)v=L-(L-X)/10*h,E=u-(u-r)/10*h,o=h/10,U(g,O(N(Math.round(v+q*o))),O(N(Math.round(E-J*o))),O(N(Math.round(v-q*o))),O(N(Math.round(E+J*o))))}else U(g,O(N(Math.round(L))),O(N(Math.round(u))),O(N(Math.round(X))),O(N(Math.round(r))))}}D=y(FE,m,-1,f.u+1,1);Q=y(M,s,-1,f.u+1,1);for(j=1;j<=f.v;++j)h=f.I[j],o=f.J[j],n=f.K[h],r=f.K[o],++Q[h],++Q[o],D[h]=D[h]/Q[h]+r/Q[h],D[o]=
|
|
288
|
+
D[o]/Q[o]+n/Q[o];XE(g,f.o.n);o=fF(f.o.o);J=y(Zt,m,1,f.u+1,0);X=y(M,s,-1,f.u+1,1);r=y(M,s,-1,f.u+1,1);n=y(gF,m,55,f.u+1,0);u=2;1!=f.o.C&&(u=O(N(cF(2*f.o.C))));for(j=1;j<=f.u;++j)h=hF(f,j),(null==h||1>h.length)&&(h=wa),3==f.c[j]&&0<f.A[j]&&0==f.B[j]?(J[j]=h,X[j]=r[j]=JC(f.o.o,h),n[j]=iF(f,u,j,X[j],X[j],o,!1)):(L=D[j]<f.K[j],E=!0,1<Q[j]&&(0>=D[j]-f.K[j]?0-(D[j]-f.K[j]):D[j]-f.K[j])<25*f.o.C/3&&(E=!1),2<Q[j]&&(E=!1),1==Q[j]&&(0>=D[j]-f.K[j]?0-(D[j]-f.K[j]):D[j]-f.K[j])<25*f.o.C/10&&(L=!0),q=h,tb=l,f.o.Lb&&
|
|
289
|
+
0<f.y[j]&&(tb+=Yb,1<f.y[j]&&(tb+=f.y[j])),v=l,0!=f.B[j]&&(1<hk(f.B[j])&&(v+=hk(f.B[j])),0<f.B[j]?v+=xa:v+=Ba),L||!E?h=h+tb+v+l:h=v+tb+l+h,E||(q=h),J[j]=h,q=JC(f.o.o,q),v=JC(f.o.o,h),X[j]=q,r[j]=v,v=n[j]=iF(f,u,j,q,v,o,L),L=v.d+u+1,q=v.e+o+u,T(g,f.o.u),-1==f.k&&0!=f.e[j]&&T(g,(eE(),lE)[f.e[j]]),fC(g,v.d,v.e,v.c,v.b),1==f.k?0!=f.e[j]?T(g,(eE(),lE)[f.e[j]]):T(g,(qB(),xB)):T(g,(eE(),iE)[f.c[j]]),YE(g,h,L,q));for(h=1;h<=f.z;++h)j=f.r[h][0],q=X[j],v=r[j],L=O(N(cF(f.K[j]-q/2))),q=O(N(cF(f.N[j]+~~(o/2)-1))),
|
|
290
|
+
T(g,(qB(),BB)),YE(g,ba+f.r[h][1],L+v,q);if(0<f.E||0<f.F)if(T(g,104==f.o.d?(qB(),yB):(qB(),EB)),0<f.E&&106!=f.o.d&&(v=n[f.E],NE(g,v.d,v.e,v.c,v.b)),0<f.F&&(h=f.I[f.F],o=f.J[f.F],J=f.K[o]-f.K[h],Q=f.N[o]-f.N[h],D=Math.sqrt(J*J+Q*Q),1>D&&(D=1),Q/=D,D=J/D,q=(ea+1)*Q,J=(ea+1)*D,E=y(M,s,-1,5,1),v=y(M,s,-1,5,1),E[0]=O(N(cF(f.K[h]+q))),E[1]=O(N(cF(f.K[o]+q))),v[0]=O(N(cF(f.N[h]-J))),v[1]=O(N(cF(f.N[o]-J))),E[3]=O(N(cF(f.K[h]-q))),E[2]=O(N(cF(f.K[o]-q))),v[3]=O(N(cF(f.N[h]+J))),v[2]=O(N(cF(f.N[o]+J))),E[4]=
|
|
291
|
+
E[0],v[4]=v[0],106!=f.o.d&&(ea=g,j=E,Q=v,ea.o&&(OE(ea,!1),PE(ea,eF(ea,j,Q,5,!0)))),106==f.o.d&&jF(f,f.I[f.F],f.J[f.F]))){ea=0;for(j=1;j<=f.u;++j)0<f.b[j]&&++ea;if(ea>~~(f.u/2))for(j=1;j<=f.u;++j)0<f.b[j]?f.b[j]=0:f.b[j]=1;T(g,(qB(),yB));for(j=1;j<=f.u;++j)0<f.b[j]&&(v=n[j],NE(g,v.d,v.e,v.c,v.b))}}}a.A||(a.pb?(T(e,(qB(),vB)),U(e,c-1,0,c-1,b-1)):(T(e,GB(gE)),U(e,c-1,0,c-1,b-1),T(e,gE),U(e,c-2,0,c-2,b-1),T(e,hE),U(e,c-3,0,c-3,b-1)));a.Gb&&(d=~~((c-48)/2),T(e,(qB(),BB)),U(e,d,~~(b/2),d+48,~~(b/2)),U(e,
|
|
292
|
+
d+48,~~(b/2),d+48-6,~~(b/2)+6),U(e,d+48,~~(b/2),d+48-6,~~(b/2)-6));a.A&&(a.U=new TB(Zb,0,13),a.X=new IC(a.U),null!=a.cb&&(d=JC(a.X,a.cb),c=O(N(Math.round((c-d)/2))),b-=13,T(e,(qB(),xB)),XE(e,a.U),YE(e,a.cb,c,b)));ZE(a.Vb,a.db,a.Z,2*a.Z+a.T)}}
|
|
293
|
+
function VE(a,b,c,d,e){var f,g,j,h,n;f=~~(a.Z/4);g=!1;h=y(M,s,-1,9,1);n=y(M,s,-1,9,1);c+=~~(a.Z/2);d+=~~(a.Z/2);a=~~(a.Z/2)-~~(f/2);1==e&&(e=6,g=!0);for(f=0;f<=e;++f)j=6.283185307179586/e*(f-0.5),h[f]=Wt(c+a*Math.sin(j)),n[f]=Wt(d+a*Math.cos(j));f=e+1;b.o&&(OE(b,!1),PE(b,eF(b,h,n,f,2<f)));if(g){for(f=0;f<=e;++f)j=6.283185307179586/e*(f-0.5),h[f]=Wt(c+(a-3)*Math.sin(j)),n[f]=Wt(d+(a-3)*Math.cos(j));U(b,h[0],n[0],h[1],n[1]);U(b,h[2],n[2],h[3],n[3]);U(b,h[4],n[4],h[5],n[5])}}
|
|
294
|
+
function kF(a){var b,c,d;if(a.ob){d=a.Rb.b;b=a.D.c;c=2*a.Z+a.T;T(d,gE);fC(d,0,0,b,c);a.pb?(T(d,(qB(),vB)),c=14*(a.Z+a.T),NE(d,c,0,b-c-1,2*a.Z+a.T-1)):(T(d,GB(gE)),U(d,b-1,0,b-1,c-1),U(d,0,c-1,b-1-2,c-1),T(d,hE),U(d,0,0,b-1,0));c=a.d;233<=a.d&&262>=a.d&&(a.d=213);for(b=1;14>=b;++b)ME(a,d,b,1),ME(a,d,b,2);a.d=c;ZE(a.Vb,a.Rb,0,0)}}
|
|
295
|
+
function SE(a,b,c,d,e){var f,g,j,h,n,o,r,q;n=~~(d/4);o=2+~~(n/2);g=2+n;q=c+~~(10*d/24);h=q+n;r=b+d;e?(j=2+b,f=o+b,g+=b):(f=r-o,j=r-2,g=r-g);U(a,j,q,f,h);U(a,g,q,f,h);j=~~(n/3);U(a,f,q+j,f,h);f=d-o-4;h=270;e?(b+=o,e=270):(b=r-f-o,h*=-1,e=-90);RE(a,b,c+o-j,f,d-4-j-1,e,h)}
|
|
296
|
+
function lF(a,b,c){var d,e,f,g,j,h;mF(a,c);if(0==b.indexOf("$RXN")){a.Gb=!0;a.kb=!0;j=nF(b);b=new QD(b,j,!0);e=l;for(d=1;5>=d;++d)e=oF(b,j);d=pF(vD(so(e.substr(0,3)),10)).b;g=pF(vD(so(e.substr(3,3)),10)).b;oF(b,j);for(e=1;e<=d+g;++e){for(f=l;!(h=oF(b,j),null==h||H(h,"$MOL"));)f+=h+j;a.gb[++a.vb]=new qF(a,f)}EE(a,1,d,1);EE(a,d+1,d+g,3)}else{a.Gb=!1;a.$=new qF(a,b);if(!a.$||0==a.$.u)return a.lb=!0,a.K="ERROR - problems in reading/processing MOL input",ZD(a),!1;null!=a.j&&a.$&&rF(a.$,a.j,!0);null!=a.k&&
|
|
297
|
+
a.$&&rF(a.$,a.k,!1);j=sF(a.$,!1);if(1==j)a.gb[++a.vb]=a.$;else{a.kb=!0;for(e=1;e<=j;++e)a.gb[++a.vb]=new tF(a,a.$,e)}a.f=1;a.$=a.gb[a.f];EE(a,1,j,0)}c&&ZD(a);return!0}function cs(a,b){a.lb=!0;a.K=b}function dF(a,b){100>b&&(!nE[b]&&(nE[b]=new TB(Zb,0,b)),!pE[b]&&Tt(pE,b,new IC(nE[b])),a.n=nE[b],a.o=pE[b])}
|
|
298
|
+
function gs(a,b){var c,d;if(0==b)return!1;BE(a);c=a.d;a.d=b;if(300>=b)switch(a.ob=!0,a.mb=!0,b){case 102:JE(a);break;case 110:a.nb=!0;a.d=c;a._.b!=a._.c&&a._.b.c!=a._.c?a.i&&(++a.vb,a.f=a.vb,a.i=!1):(a.lb=!0,a.K="No more undo");if(!(a._.b!=a._.c&&a._.b.c!=a._.c))break;uF(a,vF(a._));a.nb=!0;break;case 111:a.d=c;if(a._.b.d)a.i&&(++a.vb,a.f=a.vb,a.i=!1);else{a.lb=!0;a.K="No more redo";break}if(!a._.b.d)break;d=a._;if(!d.b.d)throw new sw("Cannot redo. Index is out of range.");if(!d.b.d)throw new sw(cc);
|
|
299
|
+
d.b=d.b.d;uF(a,d.b.b);a.nb=!0;break;case 152:a.d=c;d=a.Ib;d.b<d.d-1?(++d.b,d=lv(d,d.b)):d=null;null==d?(a.lb=!0,a.K=lc):(cs(a,hc+(a.Ib.b+1)+ca+a.Ib.d),d=wF(d),xF(a,d,!1,!0),null!=a.tb&&SD(a.tb,null));break;case 151:a.d=c;d=a.Ib;0<d.b?(--d.b,d=lv(d,d.b)):d=null;null==d?(a.lb=!0,a.K=lc):(cs(a,hc+(a.Ib.b+1)+ca+a.Ib.d),d=wF(d),xF(a,d,!1,!0),null!=a.tb&&SD(a.tb,null));break;case 101:a.Mb&&yF(a.Mb);a.Mb=new zF(1,a);a.d=c;break;case 107:!a.Eb?a.Eb=new AF(a):a.Eb.hc.d._?BF(a.Eb.hc.d):CF(a.Eb);break;case 114:a.c&&
|
|
300
|
+
yF(a.c);a.c=new zF(0,a);a.d=c;break;case 103:a.nb=!0;a.qb=!0;a.d=c;break;case 105:a.nb=!0;a.r&&a.hb&&(a.hb=!1,DF(a.$),a.d=c);a.z=1;break;case 109:a.d=c;d=EF(a.$);if(2==d){a.lb=!0;a.K="Copying the agent not possible !";break}d=y(FE,m,-1,4,1);GE(a.$,d);a.nb=!0;a.$=new tE(a.$);d=Wt(~~((a.D.c-a.Z)/2)-d[0]);for(c=1;c<=a.$.u;++c)a.$.K[c]+=2*d;FF(a.$);a.gb[++a.vb]=a.$;a.f=a.vb;break;case 104:0<a.$.E?(a.nb=!0,GF(a.$,a.$.E),a.$.E=0,CE(a)):0<a.$.F&&(a.nb=!0,HF(a.$,a.$.F),a.$.F=0,CE(a));IF(a.$);break;case 213:a.d=
|
|
301
|
+
c;if(!a.F){var e,f,g,j;j=new yC;for(d=a.H,e=0,f=d.length;e<f;++e)c=d[e],g=new rC(c),xC(j,g),g.d=c,KA(g.e,a);Hz(a,j);a.F=j}JF(a.F.b,a,a.G.b,a.G.c)}else{a.mb=!0;a.ob=!0;switch(b){case 301:a.e=3;break;case 401:a.e=4;break;case 501:a.e=5;break;case 701:a.e=9;break;case 801:a.e=10;break;case 901:a.e=11;break;case 1001:a.e=12;break;case 601:a.e=8;break;case 1101:a.e=7;break;case 1300:a.e=1;break;case 1201:a.p&&(yF(a.p),a.p=null);0==a.$.E&&(a.p=new zF(2,a));a.e=18;break;case 1301:a.e=19;break;case 1302:a.e=
|
|
302
|
+
20;break;case 1303:a.e=21;break;case 1304:a.e=22}0<a.$.E&&(a.nb=!0,a.e!=a.$.c[a.$.E]&&18!=a.e&&(a.$.c[a.$.E]=a.e,a.$.B[a.$.E]=0,a.$.y[a.$.E]=0,CE(a)),18==a.e&&(d=Eo((ds(),es).hc.b.hb,kh),KF(a.$,a.$.E,d),CE(a)),IF(a.$))}ZD(a);return!0}
|
|
303
|
+
function zr(a){var b,c,d;d=xE(a);c=l;if(a.Gb){var e,f,g;g=Nt([4,a.vb+1]);for(f=1;3>=f;++f){e=0;for(b=1;b<=a.vb;++b)EF(a.gb[b])==f&&(g[f][++e]=b);g[f][0]=e}c=c+"$RXN\n\n\nJME Molecular Editor\n"+(LF(g[1][0],3)+LF(g[3][0],3)+aa);for(b=1;b<=g[1][0];++b)c+=ma+MF(a.gb[g[1][b]],d);for(b=1;b<=g[3][0];++b)c+=ma+MF(a.gb[g[3][b]],d)}else 1<a.vb&&(a.$=new NF(a,a.gb,a.vb)),c=MF(a.$,d),1<a.vb&&(a.$=a.gb[a.f]);return c}
|
|
304
|
+
function OF(a,b,c,d){var e;e=c;var f=d,g,j;(g=PF(b),j=0!=(b.f&2),g||j)?(g=a.Gb?(!a.x&&(a.x=LE(a,!0)),a.x):(!a.w&&(a.w=LE(a,!1)),a.w),JF(g.b,a,e,f),e=!0):e=!1;if(e)return!0;if(a.A)return!1;e=!0;a.lb=!1;a.Tb=c-a.Z;a.Ub=d-(2*a.Z+a.T);a.lb=!0;a.K=l;a.hb=QF(b);a.ib=!1;if(c<a.Z||d<2*a.Z+a.T){e=0;for(b=1;14>=b;++b)if(c<b*(a.Z+a.T)){e=b;break}c=0;for(b=1;b<=aF+2;++b)if(d<b*(a.Z+a.T)){c=b;break}if(0==e||0==c)return!1;d=100*c+e;if(112==d)return a.Nb=!0,a.lb=!0,a.K="Next ring will be added as spiro",ZD(a),!0;
|
|
305
|
+
if(113==d)if(a.Jb)a.lb=!0,a.K="Move one atom",ZD(a);else return!0;if(!a.Sb&&1201==d||!a.Db&&107==d||!a.Pb&&201==d||!a.kb&&103==d||!a.ub&&!a.r&&105==d||!a.Gb&&109==d||214==d)return!1;e=gs(a,d)}else{if(d>a.D.b-a.Z-1)return!1;a.ib=!0;c-=a.Z;d-=2*a.Z+a.T;if(0<a.$.E)if(104==a.d)GF(a.$,a.$.E),a.$.E=0,CE(a);else{if(106==a.d)return!0;if(108==a.d)RF(a.$,a.$.E,0),CE(a);else if(157==a.d)RF(a.$,a.$.E,1),CE(a);else if(158==a.d)RF(a.$,a.$.E,-1),CE(a);else if(202==a.d||203==a.d||204==a.d||201==a.d||205==a.d)a.P=
|
|
306
|
+
1,W(a.$,0),a.$.G=a.$.E,205==a.d?(a.$.w=1,a.$.j[1]=a.$.u,a.$.j[0]=a.$.E,a.$.F=0):CE(a);else if(206<=a.d&&229>=a.d)a.P=2,SF(a.$),CE(a);else if(230==a.d)a.P=3,CE(a);else if(233<=a.d&&262>a.d)TF(a.$,!1),CE(a),a.P=3;else if(107==a.d){if(a.Eb.c)return!0;KF(a.$,a.$.E,Eo(a.Eb.f.hc.b.hb,kh));a.$.n=!0;CE(a)}else if(105==a.d)UF(a.$),CE(a);else if(113!=a.d)if(300<a.d){if(a.e!=a.$.c[a.$.E]||18==a.e)a.$.c[a.$.E]=a.e,a.$.B[a.$.E]=0,a.$.y[a.$.E]=0,18==a.e&&(d=Eo((ds(),es).hc.b.hb,kh),1>d.length&&(d=Tc),KF(a.$,a.$.E,
|
|
307
|
+
d)),CE(a)}else e=!1}else if(0<a.$.E&&206<=a.d&&229>=a.d)a.P=2,SF(a.$),CE(a);else if(0<a.$.F)if(104==a.d)HF(a.$,a.$.F),a.$.F=0,CE(a);else if(106==a.d){d=a.$;c=a.$.F;if(0<d.b[d.I[c]]&&0<d.b[d.J[c]])cs(d.o,"Removal of substituent not possible.");else for(;;){c=0;for(b=d.u;1<=b;--b)0<d.b[b]&&b>c&&(c=b);if(0==c)break;GF(d,c);d.b[c]=0}a.$.F=0;CE(a)}else if(201==a.d)VF(a.$,a.$.F),CE(a);else if(202==a.d||205==a.d)1==a.$.t[a.$.F]&&0==a.$.C[a.$.F]?a.$.t[a.$.F]=2:(a.$.t[a.$.F]=1,a.$.C[a.$.F]=0),CE(a),a.$.C[a.$.F]=
|
|
308
|
+
0;else if(203==a.d)a.$.t[a.$.F]=2,a.$.C[a.$.F]=0,CE(a);else if(204==a.d)a.$.t[a.$.F]=3,a.$.C[a.$.F]=0,CE(a);else if(206<=a.d&&229>=a.d)a.P=2,SF(a.$),CE(a);else if(107==a.d){if(!a.Eb.c)return!0;d=Eo(a.Eb.f.hc.b.hb,kh);a.$.t[a.$.F]=9;a.$.f[a.$.F]=d;CE(a)}else 105==a.d?(a.lb=!0,a.K="Only atoms may be marked !"):e=!1;else if(0==a.vb||a.qb){if(201>=a.d)return!1;++a.vb;a.f=a.vb;a.gb[a.vb]=new KE(a);a.$=a.gb[a.vb];a.qb=!1;202<=a.d&&204>=a.d||205==a.d?(WF(a.$),a.$.v=0,a.$.A[1]=0,a.$.K[1]=c,a.$.N[1]=d,a.$.E=
|
|
309
|
+
1,a.$.G=1,a.P=1,W(a.$,0),205==a.d&&(a.$.K[2]=c+21.65,a.$.N[2]=d-12.5,a.$.j[0]=1,a.$.j[1]=2,a.$.w=1)):206<=a.d&&229>=a.d?(a.$.M=c,a.$.P=d,a.P=2,SF(a.$)):300<a.d?(WF(a.$),a.$.c[1]=a.e,a.$.v=0,a.$.A[1]=0,a.$.K[1]=c,a.$.N[1]=d,a.$.E=1,18==a.e&&(d=Eo((ds(),es).hc.b.hb,kh),1>d.length&&(d=Tc),KF(a.$,1,d))):230==a.d?XF(a,null,!0):233<=a.d&&262>a.d?(WF(a.$),a.$.v=0,a.$.A[1]=0,a.$.K[1]=c,a.$.N[1]=d,a.$.E=1,TF(a.$,!0)):hD();CE(a)}else e=!1;e&&(IF(a.$),a.mb=!1,a.ob=!1,a.nb=!0,ZD(a))}return e}
|
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310
|
+
function YF(a,b,c,d){var e,f;if(a.A||!a.ib||PF(b))return!0;a.lb=!1;c-=a.Z;d-=2*a.Z;e=c-a.Tb;f=d-a.Ub;if(2==a.P||3==a.P||9==a.P)return!0;if(1==a.P){a:{b=a.$;e=c;f=d;var g,j,h,n,o,r,q;b.E=0;b.K[0]=e;b.N[0]=f;g=ZF(b,0);if(0<g&&205!=b.o.d)b.E=g,g!=b.G?(b.K[b.u]=b.K[g],b.N[b.u]=b.N[g]):(b.K[b.u]=b.M,b.N[b.u]=b.P);else if(205==b.o.d){b.F=0;g=b.j[b.w];n=b.j[b.w-1];j=b.K[g]-b.K[n];h=b.N[g]-b.N[n];g=Math.sqrt(j*j+h*h);1>g&&(g=1);h/=g;j/=g;o=g/2/Math.tan(0.5235987755982988);r=e-b.K[n];q=f-b.N[n];n=-g/2+r*j+
|
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311
|
+
q*h;h=q*j-r*h;if(0>n)if(1<b.w)GF(b,b.u),--b.w,b.D=!1;else if(2==b.u)0>b.N[2]-b.N[1]&&0<f-b.N[1]?b.N[2]=b.N[1]+g/2:0<b.N[2]-b.N[1]&&0>f-b.N[1]&&(b.N[2]=b.N[1]-g/2),0>b.K[2]-b.K[1]&&0<e-b.K[1]?b.K[2]=b.K[1]+0.866*g:0<b.K[2]-b.K[1]&&0>e-b.K[1]&&(b.K[2]=b.K[1]-0.866*g);else{if(2==b.A[b.j[0]]&&(o=b.H[b.j[0]][1],o==b.j[1]&&(o=b.H[b.j[0]][2]),j=b.K[b.j[0]]-b.K[o],h=b.N[b.j[0]]-b.N[o],g=Math.sqrt(j*j+h*h),1>g&&(g=1),h/=g,j/=g,r=e-b.K[o],q=f-b.N[o],e=q*j-r*h,r=b.K[b.j[1]]-b.K[o],q=b.N[b.j[1]]-b.N[o],f=q*j-
|
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312
|
+
r*h,0<e&&0>f||0>e&&0<f))e=b.v,b.E=b.j[0],W(b,0),HF(b,e),0<ZF(b,b.u)&&(b.D=!0)}else{if(b.D)break a;e=-1;n<1.5*g&&(e=(1.5*g-n)*o/(1.5*g));if((0>=h?0-h:h)>e){++b.w;if(100<b.w){cs(b.o,"You are too focused on chains, enough of it for now !");--b.w;break a}b.E=b.u;W(b,O(N(Math.round(h))));b.j[b.w]=b.u;0<ZF(b,b.u)&&(b.D=!0)}}b.E=0;e=b.w;cs(b.o,e+l)}else j=e-b.K[b.G],h=f-b.N[b.G],g=Math.sqrt(j*j+h*h),1>g&&(g=1),b.K[b.u]=b.K[b.G]+25*(j/g),b.N[b.u]=b.N[b.G]+25*(h/g)}a.s=!0}else if(113==a.d&&0<a.$.E)a.jb||(a.jb=
|
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313
|
+
!0),b=a.$,0<b.E&&(e=b.E,b.K[e]=c,b.N[e]=d);else if(QF(b)||PF(b))AE(a.$,e),a.P=5;else if(0==a.$.E&&0==a.$.F){5!=a.P&&(e=f=0);b=a.$;for(g=1;g<=b.u;++g)b.K[g]+=e,b.N[g]+=f;h=y(FE,m,-1,4,1);GE(b,h);g=h[0];h=h[1];if(!(0<g&&g<b.o.D.c-b.o.Z&&0<h&&h<b.o.D.b-3*b.o.Z))for(g=1;g<=b.u;++g)b.K[g]-=e,b.N[g]-=f;a.P=5}a.E=!1;BE(a);a.nb=!0;ZD(a);a.Tb=c;a.Ub=d;return!0}
|
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314
|
+
function $F(a,b,c,d){var e,f,g;if(!(a.A&&null==a.sb||PF(b))){c-=a.Z;d-=2*a.Z;g=!1;f=0;b=1;a:for(;b<=a.vb;++b){e=a.gb[b];for(var j=c,h=d,n=void 0,o=void 0,r=void 0,q=void 0,u=void 0,n=void 0,r=0,u=((eE(),mE)?350:170)+1,q=1;q<=e.v;++q)n=j-e.L[q],o=h-e.O[q],n=n*n+o*o,n<u&&(u=n,r=q);r*=-1;for(q=1;q<=e.u;++q)n=j-e.K[q],o=h-e.N[q],n=n*n+o*o,n<u&&(u=n,r=q);e=r;if(0!=e){a.gb[b].E=0<e?e:0;a.gb[b].F=0>e?-e:0;f=b;g=!0;aG(a,a.gb[b].E);113==a.d&&0>e&&(g=!1,a.gb[b].F=0);break a}else if(aG(a,0),0<a.gb[b].E||0<a.gb[b].F)a.gb[b].E=
|
|
315
|
+
0,a.gb[b].F=0,g=!0}if(g){for(b=a.f+1;b<=a.vb;++b)a.gb[b].E=0,a.gb[b].F=0;a.E=!1;BE(a);a.nb=!0;ZD(a)}!a.A&&0!=f&&f!=a.f&&(a.f=f,a.$=a.gb[a.f])}}
|
|
316
|
+
function bG(a){if(a.A)return!0;a.jb&&(a.jb=!1,CE(a));a.lb=!1;a.Q=Bh;if(1==a.P){if(205==a.d){var b=a.$,c,d;b.D&&(c=ZF(b,b.u),6>b.A[c]&&(cG(b),d=b.j[b.w-1],b.I[b.v]=c,b.J[b.v]=d,b.H[c][++b.A[c]]=d,b.H[d][++b.A[d]]=c),GF(b,b.u));b.D=!1;CE(a)}else a:{var b=a.$,e,f;c=ZF(b,b.u);if(0!=c){--b.u;for(f=1;f<b.v;++f)if(d=b.I[f],e=b.J[f],d==c&&e==b.G||d==b.G&&e==c){--b.v;--b.A[b.G];3>b.t[f]?(++b.t[f],b.C[f]=0):cs(b.o,"Maximum allowed bond order is 3 !");break a}6==b.A[c]?(--b.v,--b.A[b.G],cs(b.o,"Not possible connection !")):
|
|
317
|
+
(b.J[b.v]=c,b.H[c][++b.A[c]]=b.G,b.H[b.G][b.A[b.G]]=c,b.L[b.v]=O(N(cF((b.K[b.G]+b.K[c])/2))),b.O[b.v]=O(N(cF((b.N[b.G]+b.N[c])/2))))}}IE(a.$);a.s&&(b=a._,b.b!=b.c&&b.b.c!=b.c&&(c=b.b.d,vF(b),b.b.d=c),CE(a),a.s=!1)}else 5==a.P&&(IE(a.$),CE(a));0<a.P&&(a.E=!1,BE(a),a.nb=!0,IF(a.$),dG(a.$),ZD(a),a.P=0,a.i=!1);if(mE&&(0!=a.$.F||0!=a.$.E))a.$.F=0,a.$.E=0,BE(a),a.nb=!0,ZD(a);return!0}function BE(a){a.mb=!1;a.ob=!1;a.nb=!1}
|
|
318
|
+
function aG(a,b){if(null!=a.sb&&!(0>=b&&0==a.Cb||b==a.Cb&&a.f==a.Bb))0>=b&&0<a.Cb&&(b=0),a.Cb=b,a.Bb=a.f,SD(a.sb,K(eG,m,82,[new S(a.f),new S(b)]))}
|
|
319
|
+
function fG(a,b,c){var d,b=b.toLowerCase();-1<b.indexOf("norbutton")?a.Fb=!1:-1<b.indexOf("rbutton")&&(a.Fb=!0);-1<b.indexOf("nohydrogens")?a.Lb=!1:-1<b.indexOf("hydrogens")&&(a.Lb=!0);-1<b.indexOf("keephs")&&(a.O=!0);-1<b.indexOf("removehs")&&(a.O=!1);-1<b.indexOf("noquery")?a.Db=!1:-1<b.indexOf("query")&&(a.Db=!0);-1<b.indexOf(Rf)?a.Gb=!1:-1<b.indexOf(pg)&&(a.Gb=!0);-1<b.indexOf("noautoez")?a.q=!1:-1<b.indexOf("autoez")&&(a.q=!0);-1<b.indexOf("nostereo")?a.Pb=!1:-1<b.indexOf("stereo")&&(a.Pb=!0);
|
|
320
|
+
-1<b.indexOf("nocanonize")?a.t=!1:-1<b.indexOf("canonize")&&(a.t=!0);-1<b.indexOf("nomultipart")?a.kb=!1:-1<b.indexOf(Mf)&&(a.kb=!0);-1<b.indexOf("nonumber")?(a.ub=!1,a.r=!1):-1<b.indexOf(Vf)&&(a.ub=!0,a.r=!1);-1<b.indexOf("newlook")?(a.pb=!0,a.T=1):-1<b.indexOf("oldlook")&&(a.pb=!1,a.T=0);-1<b.indexOf("autonumber")&&(a.r=!0,a.ub=!0);-1<b.indexOf("star")&&(a.Ob=!0,a.ub=!0);-1<b.indexOf("nostar")&&(a.Ob=!1,a.ub=!1);-1<b.indexOf("polarnitro")&&(a.zb=!0);-1<b.indexOf("nopolarnitro")&&(a.zb=!1);-1<b.indexOf("depict")&&
|
|
321
|
+
(a.A=!0,a.Z=0,a.db=null,EE(a,1,a.vb,0));if(-1<b.indexOf("nodepict")){a.A=!1;for(d=1;d<=a.vb;++d)gG(a.gb[d]),HE(a.gb[d]);a.C=1;a.Z=24;a.$&&(a.$.x=!0)}-1<b.indexOf("xbutton")&&(a.Sb=!0);-1<b.indexOf("noxbutton")&&(a.Sb=!1);d=a.wb;-1<b.indexOf("nopaste")?a.wb=!1:-1<b.indexOf(eg)&&(a.wb=!0);d!=a.wb&&(a.w=null,a.x=null);-1<b.indexOf(sd)&&(a.B=!0);-1<b.indexOf("noborder")&&(a.B=!1);b.indexOf("writesmi");b.indexOf("writemi");b.indexOf("writemol");-1<b.indexOf("nocenter")&&(a.rb=!0);-1<b.indexOf("jmeh")&&
|
|
322
|
+
(a.N=!0);-1<b.indexOf("showan")&&(a.Kb=!0);-1<b.indexOf("atommovebutton")&&(a.Jb=!0);-1<b.indexOf("noatommovebutton")&&(a.Jb=!1);a.Gb&&(a.r=!0,a.kb=!0);a.A||(a.B=!1);a.Fb&&++aF;c&&ZD(a)}
|
|
323
|
+
function ZD(a){var b,c,d,e;b=DA(a);!a.D||b.c!=a.D.c||b.b!=a.D.b||!a.db||!a.J?(e=!1,a.D&&(e=b.c!=a.D.c||b.b!=a.D.b),a.D=b,d=b.c-a.Z,c=b.b-3*a.Z-a.T,1>d&&(d=1),1>c&&(c=1),a.db=a.Pe(a.db,d,c),a.A&&e&&EE(a,1,a.vb,0),bF(a),a.A||(a.Rb=a.Pe(a.Rb,b.c,2*a.Z+a.T),kF(a),c=b.b-2*a.Z+a.T,1>c&&(c=1),a.R=a.Pe(a.R,a.Z,c),$E(a),a.J=a.Pe(a.J,d,a.Z),WE(a))):(bF(a),a.A||(WE(a),a.E&&(kF(a),$E(a)),a.E=!0));a.mb=!0;a.ob=!0;a.nb=!0;a.lb=!0}
|
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324
|
+
function hG(a,b){var c,d,e;e=l;for(d=1;d<=a.vb;++d){if(0<b&&(c=EF(a.gb[d]),c!=b))continue;c=a.gb[d];for(var f=void 0,g=void 0,j=void 0,h=void 0,n=g=f=void 0,o=void 0,j=void 0,o=l+c.u+ba+c.v,h=1;h<=c.u;++h){j=hF(c,h);c.o.N&&0<c.y[h]&&(j+=Yb,1<c.y[h]&&(j+=c.y[h]));0!=c.B[h]&&(0<c.B[h]?j+=xa:j+=Ba,1<hk(c.B[h])&&(j+=hk(c.B[h])));g=-1;for(f=1;f<=c.z;++f)if(c.r[f][0]==h){g=c.r[f][1];break}c.o.Ob&&0<c.e[h]&&(g=1);-1<g&&(j+=lb+g);o+=ba+j+ba+iG(0.055999999999999994*c.K[h],0,2)+ba+iG(0.055999999999999994*-c.N[h],
|
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325
|
+
0,2)}for(h=1;h<=c.v;++h)f=c.I[h],g=c.J[h],n=c.t[h],1==c.C[h]?n=-1:2==c.C[h]?n=-2:3==c.C[h]?(n=-1,j=f,f=g,g=j):4==c.C[h]?(n=-2,j=f,f=g,g=j):10==c.C[h]&&(n=-5),9==c.t[h]&&(n=c.C[h]),o+=ba+f+ba+g+ba+n;c=o;0<c.length&&(0<e.length&&(e+=sh),e+=c)}return e}function sE(a,b){var c,d,e;e=l;for(c=1;c<=a.vb;++c){if(0<b&&(d=EF(a.gb[c]),d!=b))continue;d=void 0;d=jG(a.gb[c]);d=kG(d);0<d.length&&(0<e.length&&(e+=Wa),e+=d)}return e}
|
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326
|
+
function CE(a){var b;switch(a.P){case 5:case 7:case 9:break;default:null!=a.tb&&SD(a.tb,null)}var c,d,e;e=new lG;e.b=a.f;e.i=a.vb;c=!1;for(b=1;99>b;++b)if(d=a.gb[b])0<d.u&&(c=!0),e.e[b]=jG(d);else break;e.j=a.Gb;e.f=a.kb;e.c=a.C;e.d=a.P;if(b=c?e:null)a=a._,b=new mG(b),c=a.b.d,a.b.d=b,b.c=a.b,c&&(b.d=c,c.c=b),a.b=b}function xF(a,b,c,d){try{lF(a,b,d)?c&&CE(a):ZD(a)}catch(e){if(e=aj(e),A(e,79))ZD(a);else throw e;}}
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327
|
+
function XF(a,b,c){try{var d;a:{var e,f,g,j,h,n,o,r;mF(a,c);e=j=0;r=new QD(b,"|>",!0);g=-1<b.indexOf(rb);n=1;h=JD(r);a.vb=0;for(f=1;f<=h;++f)if(o=ND(r),so(o),!H(o,sh))if(H(o,rb))++n,2==n?j=a.vb:3==n&&(e=a.vb+1);else{a.$=new nG(a,o);if(0==a.$.u){oG(a,"ERROR - problems in reading/processing molecule !");hD();d=!1;break a}++a.vb;a.f=a.vb;a.gb[a.vb]=a.$}2==n?(oG(a,"ERROR - strange reaction - fixing !"),hD(),d=!1):3<n?(oG(a,"ERROR - strange reaction !"),hD(),d=!1):(1<a.vb&&!g&&fG(a,Mf,!0),g&&!a.Gb&&fG(a,
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328
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+
pg,!0),!g&&a.Gb&&fG(a,Rf,!0),g?(EE(a,1,j,1),EE(a,j+1,e-1,2),EE(a,e,a.vb,3)):EE(a,1,a.vb,0),c&&ZD(a),d=!0)}d?CE(a):ZD(a)}catch(q){if(q=aj(q),A(q,79))ZD(a);else throw q;}}function pG(a){BE(a);a.nb=!0;ZD(a)}function mF(a,b){a.d=202;a.qb=!1;a.vb=0;a.f=0;a.$=new KE(a);a.$.s=0;a.cb=null;a.C=1;a.nb=!0;b&&ZD(a);null!=a.tb&&SD(a.tb,null)}
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329
|
+
function uF(a,b){var c,d;a.f=b.b;a.vb=b.i;for(c=1;99>c;++c)(d=b.e[c])?a.gb[c]=jG(d):a.gb[c]=null;a.$=a.gb[a.f];a.Gb=b.j;a.kb=b.f;a.C=b.c;switch(b.d){case 5:case 7:case 9:break;default:null!=a.tb&&SD(a.tb,null)}}function qG(a,b){a.lb=!0;a.K=l;return 1>b||b>a.vb?(a.lb=!0,a.K="ERROR - invalid mol index: "+b,ZD(a),null):a.gb[b]}
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330
|
+
function DE(a,b){var c;c=-1;H(b,"Select substituent")?(c=202,b=l):H(b,Ha)?c=235:H(b,Ia)?c=240:H(b,Ga)?c=260:H(b,Ma)?c=261:H(b,Sa)?c=241:H(b,La)?c=233:H(b,Ka)?c=236:H(b,Ja)?c=237:H(b,Ra)?c=234:H(b,Qa)?c=243:H(b,Ta)?c=252:H(b,Oa)?c=244:H(b,Ua)?c=239:H(b,"-PO3H2")?c=251:H(b,Fa)?c=242:H(b,Ca)?c=245:H(b,Ea)&&(c=238);0<c?gs(a,c):b="Not known group!";a.lb=!0;a.K=b;ZD(a)}function oG(a,b){a.lb=!0;a.K=b;ZD(a)}function xE(a){var b;b=rE(a);BE(a);ZD(a);return b}
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331
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function TE(a,b,c,d,e){var f,g,j,h;f=a.X;h=JC(f,e);if(h>=a.Z-1)for(g=f.c.c;h>=a.Z-1&&1<g;)--g,j=new TB(f.c.b,f.c.d,g),f=new IC(j),h=JC(f,e),b.f=j,b.j=rG(j);else XE(b,a.U);f=VB(f.c).b-VB(f.c).c;YE(b,e,c+~~((a.Z-h)/2),d+~~((a.Z-f)/2)+f)}function UE(a,b,c,d,e,f){var g,j;g=fF(a.W);j=JC(a.W,f);XE(b,a.V);(b.e=e)&&(b.i=rg+(~~e.b>>16&255)+ya+(~~e.b>>8&255)+ya+(e.b&255)+va);YE(b,f,c+~~((a.Z-j)/2),d+~~((a.Z-g)/2)+g)}function fF(a){return VB(a.c).b-VB(a.c).c}
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332
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function fs(a,b){a.r?0==b&&(a.z=-1,a.lb=!0,a.K=Id,ZD(a)):(a.S?a.z=b:-1<a.z&&10>a.z?a.z=10*a.z+b:a.z=b,a.S=!1,0==a.z?(a.z=-1,a.lb=!0,a.K=Id):cs(a,a.z+ba),ZD(a))}t(485,396,wi);_.Be=function(a){uE(this,a)};_.Pe=function(a,b,c){return zA(this,b,c)};_.Qe=function(){};_.ie=function(){ZD(this)};_.c=null;_.d=0;_.e=0;_.f=0;_.i=!1;_.j=null;_.k=null;_.n=null;_.o=null;_.p=null;_.q=!1;_.r=!1;_.s=!1;_.t=!0;_.w=null;_.x=null;_.z=1;_.A=!1;_.B=!1;_.C=1;_.D=null;_.E=!0;_.F=null;_.G=null;_.I="http://peter-ertl.com/jsme/2013_03/help.html";
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396
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function iI(a,b,c){a.b+=b;a.c+=c;a.b=0>a.b?0:a.b;a.c=0>a.c?0:a.c}function CF(a){var b=a.k;jI(a.hc.d,b.b,b.c);!Mz(a)&&qA(a);aA(a)}function kI(){aC.call(this,l);this.j=new kB(this.Sf());KA(this.r,new lI(this))}t(555,421,Ii);_.Td=function(a,b){return Vt(a.i)===Vt(this.j)?(hI(this),!0):this.Tf(a,b)};_.Sf=function(){return"Close"};_.Tf=function(){return!1};_.Md=function(){hI(this)};_.j=null;_.k=null;
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|
397
|
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function RG(a,b,c){kI.call(this);this.hc&&cC(this.hc,!1);$B(this,!1);tA(this,new kC(0));a=new oC(a,1);R(this,a,null);a=new xA;R(a,this.j,null);R(this,a,null);b&&(this.k=Nz(b),ZB(this),iI(this.k,~~(G(b.Vb.hb,Yf)/2)-~~(this.mc/2),~~(G(b.Vb.hb,Xf)/2)-~~(this.cc/2)));c&&P(this,c)}t(554,555,Ii,RG);_.Sf=function(){return"OK"};function vF(a){if(!(a.b!=a.c&&a.b.c!=a.c))throw new sw("Cannot undo. Index is out of range.");if(!a.b.c)throw new sw(cc);a.b=a.b.c;return a.b.b}
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398
|
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function GG(){this.b=this.c=new mI}t(556,1,{},GG);_.b=null;function mI(){this.b=null}function mG(a){this.b=a}t(557,1,{},mI,mG);_.b=null;_.c=null;_.d=null;function lI(a){this.b=a}t(558,456,Bi,lI);_.b=null;
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|
399
|
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function YD(a,b){var c,d,e;d=!1;if(null!=b){if(null!=a.b.Ab){SD(a.b.Ab,K(Zt,m,1,[b]));return}e=l;c=a.b.Ib;var f,g,j,h;if(null==b)c=0;else if(f=yo(b,"\\$\\$\\$\\$\r?\n?"),1>=f.length)c=0;else{for(j=0,h=f.length;j<h;++j)g=f[j],Tt(c.c,c.d++,g);c=f.length}0<c&&(e=". Use Page Up/Down for SDF access ("+c+va);try{lF(a.b,b,!0)?(cs(a.b,"Structure pasted"+e),CE(a.b),CA(a.b),d=!0):(CF(new RG(a.b.K,a.b,gE)),mF(a.b,!0),CA(a.b))}catch(n){if(n=aj(n),A(n,79))e=a.b,e.lb=!0,e.K="ERROR - invalid MOL ",ZD(e),CF(new RG(a.b.K,
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|
400
|
+
a.b,gE)),CA(a.b);else throw n;}}d&&a.b.Qe(b)}function bs(a){this.b=a}t(559,1,{},bs);_.b=null;function vE(){vE=x;wE=new nI("COPY_SMILES",0);yE=new nI("COPY_MOL",1);zE=new nI("PASTE",2);oI=K(pI,m,94,[wE,yE,zE])}function nI(a,b){I.call(this,a,b)}t(560,146,{72:1,76:1,78:1,94:1},nI);var oI,yE,wE,zE;function lG(){this.e=y(uG,m,95,99,0)}t(561,1,{},lG);_.b=0;_.c=1;_.d=0;_.f=!1;_.i=0;_.j=!1;
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|
401
|
+
function qI(a){a.c=y(M,s,-1,20,1);a.B=y(M,s,-1,20,1);a.K=y(FE,m,-1,20,1);a.N=y(FE,m,-1,20,1);a.H=Nt([20,7]);a.e=y(M,s,-1,20,1);a.d=y(Zt,m,1,20,0);a.p=y(Zt,m,1,20,0);a.y=y(M,s,-1,20,1);a.A=y(M,s,-1,20,1);a.I=y(M,s,-1,20,1);a.J=y(M,s,-1,20,1);a.t=y(M,s,-1,20,1);a.C=y(M,s,-1,20,1);a.L=y(M,s,-1,20,1);a.O=y(M,s,-1,20,1);a.f=y(Zt,m,1,20,0);a.r=Nt([10,2]);a.j=y(M,s,-1,101,1)}
|
|
402
|
+
function rI(a,b,c,d){var e,f,g,j,h,n,o,r,q;h=y(M,s,-1,4,1);f=a.K[c]-a.K[b];g=a.N[c]-a.N[b];o=Math.sqrt(f*f+g*g);0.001>o&&(o=0.001);q=g/o;e=f/o;n=y(M,s,-1,4,1);for(j=0;4>j;++j)d[j]==c||0>=d[j]||(0==n[1]?n[1]=d[j]:0==n[2]?n[2]=d[j]:0==n[3]&&(n[3]=d[j]));r=y(FE,m,-1,4,1);d=y(FE,m,-1,4,1);for(j=1;3>=j;++j)3==j&&0==n[3]||(f=(a.K[n[j]]-a.K[b])*e+(a.N[n[j]]-a.N[b])*q,g=(a.N[n[j]]-a.N[b])*e-(a.K[n[j]]-a.K[b])*q,o=Math.sqrt(f*f+g*g),0.001>o&&(o=0.001),r[j]=g/o,d[j]=f/o);a=sI(r[1],d[1],r[2],d[2]);0<n[3]?(b=
|
|
403
|
+
sI(r[2],d[2],r[3],d[3]),d=sI(r[1],d[1],r[3],d[3]),0<a&&0<b?(h[1]=n[1],h[2]=n[2],h[3]=n[3]):0<d&&0>b?(h[1]=n[1],h[2]=n[3],h[3]=n[2]):0>a&&0<d?(h[1]=n[2],h[2]=n[1],h[3]=n[3]):0<b&&0>d?(h[1]=n[2],h[2]=n[3],h[3]=n[1]):0>d&&0<a?(h[1]=n[3],h[2]=n[1],h[3]=n[2]):0>b&&0>a&&(h[1]=n[3],h[2]=n[2],h[3]=n[1])):0<a?(h[1]=n[1],h[2]=n[2]):(h[1]=n[2],h[2]=n[1]);h[0]=c;return h}
|
|
404
|
+
function W(a,b){var c,d,e,f,g,j,h,n;WF(a);switch(a.A[a.E]){case 0:a.K[a.u]=a.K[a.E]+21.65*a.o.C;a.N[a.u]=a.N[a.E]+12.5*a.o.C;break;case 1:c=a.H[a.E][1];d=0;2==a.A[c]&&(a.H[c][1]==a.E?d=a.H[c][2]:d=a.H[c][1]);e=a.K[a.E]-a.K[c];f=a.N[a.E]-a.N[c];j=Math.sqrt(e*e+f*f);0.001>j&&(j=0.001);f/=j;e/=j;h=j+25*a.o.C*Math.cos(1.0471975511965976);n=25*a.o.C*Math.sin(1.0471975511965976);g=tI(a,a.E,c);if(3==a.t[g]||204==a.o.d||1!=a.t[g]&&(203==a.o.d||204==a.o.d)||a.q)h=j+25*a.o.C,n=0;0<d&&0<(a.N[d]-a.N[c])*e-(a.K[d]-
|
|
405
|
+
a.K[c])*f&&(n=-n);0<b&&0>n?n=-n:0>b&&0<n&&(n=-n);a.K[a.u]=a.K[c]+h*e-n*f;a.N[a.u]=a.N[c]+n*e+h*f;break;case 2:c=y(FE,m,-1,2,1);uI(a,a.E,25*a.o.C,c);a.K[a.u]=c[0];a.N[a.u]=c[1];break;case 3:case 4:case 5:for(g=1;g<=a.A[a.E]&&!(c=a.H[a.E][g],e=a.K[a.E]-a.K[c],f=a.N[a.E]-a.N[c],j=Math.sqrt(e*e+f*f),0.001>j&&(j=0.001),a.K[a.u]=a.K[a.E]+25*a.o.C*e/j,a.N[a.u]=a.N[a.E]+25*a.o.C*f/j,0==ZF(a,a.u)||g==a.A[a.E]);++g);break;default:--a.u;cs(a.o,"Are you trying to draw an hedgehog ?");a.o.P=9;return}a.A[a.u]=
|
|
406
|
+
1;++a.A[a.E];cG(a);a.t[a.v]=1;203==a.o.d&&(a.t[a.v]=2);204==a.o.d&&(a.t[a.v]=3);a.I[a.v]=a.E;a.J[a.v]=a.u;201==a.o.d&&VF(a,a.v);a.H[a.u][1]=a.E;a.H[a.E][a.A[a.E]]=a.u;a.L[a.v]=O(N(cF((a.K[a.E]+a.K[a.u])/2)));a.O[a.v]=O(N(cF((a.N[a.E]+a.N[a.u])/2)));a.M=a.K[a.u];a.P=a.N[a.u]}
|
|
407
|
+
function TF(a,b){var c;a.G=a.E;c=0;if(233==a.o.d||237==a.o.d||236==a.o.d||239==a.o.d||251==a.o.d||252==a.o.d)W(a,0),a.E=a.u,a.q=!0,W(a,0),a.q=!1,a.E=a.u-1,W(a,0),a.E=a.u-2,W(a,0),237==a.o.d&&(a.c[a.u]=10,a.c[a.u-1]=10,a.c[a.u-2]=10),236==a.o.d&&(a.c[a.u]=9,a.c[a.u-1]=9,a.c[a.u-2]=9),239==a.o.d&&(a.c[a.u]=5,a.c[a.u-1]=5,a.c[a.u-2]=5,a.c[a.u-3]=8,a.t[a.v]=2,a.t[a.v-1]=2),252==a.o.d&&(a.c[a.u]=5,a.c[a.u-1]=5,a.c[a.u-2]=4,a.c[a.u-3]=8,a.t[a.v]=2,a.t[a.v-1]=2),251==a.o.d&&(a.c[a.u]=5,a.c[a.u-1]=5,a.c[a.u-
|
|
408
|
+
2]=5,a.c[a.u-3]=7,a.t[a.v]=2),c=4;else if(244==a.o.d)W(a,0),a.c[a.u]=4,a.E=a.u,W(a,0),a.c[a.u]=8,a.E=a.u,a.q=!0,W(a,0),a.q=!1,a.E=a.u-1,W(a,0),a.c[a.u]=5,a.t[a.v]=2,a.E=a.u-2,W(a,0),a.c[a.u]=5,a.t[a.v]=2,c=5;else if(234==a.o.d)W(a,0),a.c[a.u]=4,a.E=a.u,a.o.zb&&RF(a,a.E,1),W(a,0),a.c[a.u]=5,a.t[a.v]=2,a.E=a.u-1,W(a,0),a.c[a.u]=5,a.o.zb?(a.t[a.v]=1,RF(a,a.u,-1)):a.t[a.v]=2,c=3;else if(235==a.o.d)W(a,0),a.E=a.u,W(a,0),a.c[a.u]=5,a.E=a.u-1,W(a,0),a.c[a.u]=5,a.t[a.v]=2,c=3;else if(240==a.o.d)W(a,0),a.E=
|
|
409
|
+
a.u,W(a,0),a.c[a.u]=5,a.E=a.u,W(a,0),a.E=a.u-2,W(a,0),a.c[a.u]=5,a.t[a.v]=2,c=4;else if(260==a.o.d)W(a,0),a.E=a.u,W(a,0),a.c[a.u]=4,a.E=a.u-1,W(a,0),a.c[a.u]=5,a.t[a.v]=2,c=3;else if(261==a.o.d)W(a,0),a.c[a.u]=4,a.E=a.u,W(a,0),a.E=a.u,W(a,0),a.c[a.u]=5,a.t[a.v]=2,c=3;else if(241==a.o.d)W(a,0),a.c[a.u]=5,a.E=a.u,W(a,0),a.E=a.u,W(a,0),a.E=a.u-1,W(a,0),a.t[a.v]=2,a.c[a.u]=5,c=4;else if(243==a.o.d)W(a,0),a.c[a.u]=4,a.E=a.u,W(a,0),a.E=a.u-1,W(a,0),c=3;else if(238==a.o.d)W(a,0),a.E=a.u,a.q=!0,W(a,0),a.t[a.v]=
|
|
410
|
+
3,a.q=!1,c=2;else if(249==a.o.d)W(a,0),a.E=a.u,W(a,0),a.t[a.v]=2,a.c[a.u]=5,c=2;else if(250==a.o.d)W(a,0),a.t[a.v]=2,a.c[a.u]=5,c=1;else if(245==a.o.d)W(a,0),a.E=a.u,a.q=!0,W(a,0),a.E=a.u,a.t[a.v]=3,W(a,0),a.q=!1,c=3;else if(242==a.o.d)W(a,0),a.E=a.u,a.q=!0,W(a,0),a.t[a.v]=3,a.c[a.u]=4,a.q=!1,c=2;else if(254==a.o.d)W(a,0),a.c[a.u]=9,c=1;else if(255==a.o.d)W(a,0),a.c[a.u]=10,c=1;else if(256==a.o.d)W(a,0),a.c[a.u]=11,c=1;else if(257==a.o.d)W(a,0),a.c[a.u]=12,c=1;else if(258==a.o.d)W(a,0),a.c[a.u]=4,
|
|
411
|
+
c=1;else if(259==a.o.d)W(a,0),a.c[a.u]=5,c=1;else if(246==a.o.d)W(a,0),a.E=a.u,W(a,0),c=2;else if(247==a.o.d)W(a,0),a.E=a.u,W(a,0),a.E=a.u,W(a,0),c=3;else if(248==a.o.d)W(a,0),a.E=a.u,W(a,0),a.E=a.u,W(a,0),a.E=a.u,W(a,0),c=4;else if(253==a.o.d){var d,e,f,g,j,h,n,o,r,q,u;if(a.o.Qb){c=0;o=a.o.Qb;for(n=1;n<=o.z;++n)d=o.r[n][0],1==o.r[n][1]&&(c=d);d=a.u;n=a.E;W(a,0);e=a.K[a.u];g=a.N[a.u];GF(a,a.u);e=a.K[n]-e;g=a.N[n]-g;h=Math.sqrt(e*e+g*g);g/=h;e/=h;for(h=1;h<=o.u;++h)WF(a),a.c[a.u]=o.c[h],a.B[a.u]=o.B[h],
|
|
412
|
+
a.y[a.u]=o.y[h],a.K[a.u]=o.K[h],a.N[a.u]=o.N[h];for(h=1;h<=o.v;++h)cG(a),a.I[a.v]=o.I[h]+d,a.J[a.v]=o.J[h]+d,a.t[a.v]=o.t[h];FF(a);a.E=c+d;W(a,0);o=a.K[a.u];q=a.N[a.u];GF(a,a.u);f=a.K[c+d]-o;j=a.N[c+d]-q;h=Math.sqrt(f*f+j*j);j/=h;f/=h;for(h=d+1;h<=a.u;++h)a.K[h]-=o,a.N[h]-=q,r=a.K[h]*f+a.N[h]*j,u=a.N[h]*f-a.K[h]*j,a.K[h]=r,a.N[h]=u,r=-a.K[h]*e+a.N[h]*g,u=-a.N[h]*e-a.K[h]*g,a.K[h]=r,a.N[h]=u,a.K[h]+=a.K[n],a.N[h]+=a.N[n];cG(a);a.I[a.v]=n;a.J[a.v]=c+d;FF(a);b&&(GF(a,n),HE(a))}c=4}vI(a,c);a.E=a.G;b&&
|
|
413
|
+
(a.E=0)}
|
|
414
|
+
function uI(a,b,c,d){var e,f,g,j,h;e=a.H[b][1];f=a.H[b][2];g=a.K[f]-a.K[e];j=-(a.N[f]-a.N[e]);h=Math.sqrt(g*g+j*j);0.001>h&&(h=0.001);j/=h;g/=h;1>(0>=(a.N[b]-a.N[e])*g+(a.K[b]-a.K[e])*j?0-((a.N[b]-a.N[e])*g+(a.K[b]-a.K[e])*j):(a.N[b]-a.N[e])*g+(a.K[b]-a.K[e])*j)?(g=a.K[b]-a.K[e],j=a.N[b]-a.N[e],h=Math.sqrt(g*g+j*j),0.001>h&&(h=0.001),j/=h,g/=h,d[0]=a.K[e]+h*g-c*j,d[1]=a.N[e]+c*g+h*j):(g=(a.K[e]+a.K[f])/2,e=(a.N[e]+a.N[f])/2,g=a.K[b]-g,j=a.N[b]-e,h=Math.sqrt(g*g+j*j),0.001>h&&(h=0.001),d[0]=a.K[b]+
|
|
415
|
+
c*g/h,d[1]=a.N[b]+c*j/h)}
|
|
416
|
+
function SF(a){var b,c,d,e,f,g,j,h,n,o,r,q,u;n=-1;j=6;switch(a.o.d){case 206:j=3;break;case 207:j=4;break;case 208:case 221:case 223:j=5;break;case 210:case 209:j=6;break;case 211:j=7;break;case 212:j=8;break;case 229:j=9}f=6.283185307179586/j;h=625*a.o.C*a.o.C/2/(1-Math.cos(f));h=Math.sqrt(h);if(0<a.E)if(2>a.A[a.E])wI(a,j,f,h);else if(!a.o.hb&&!a.o.Nb)n=a.E,W(a,0),a.E=a.u,wI(a,j,f,h);else{a.o.Nb=!1;if(209==a.o.d||221==a.o.d||223==a.o.d){cs(a.o,"ERROR - cannot add aromatic spiro ring !");a.o.P=9;
|
|
417
|
+
return}for(d=1;d<=a.A[a.E];++d)if(b=a.t[tI(a,a.E,a.H[a.E][d])],2<d||1!=b){cs(a.o,"ERROR - spiro ring not possible here !");a.o.P=9;return}b=y(FE,m,-1,2,1);uI(a,a.E,h,b);e=a.K[a.E]-b[0];g=a.N[a.E]-b[1];o=Math.sqrt(e*e+g*g);0.001>o&&(o=0.001);g/=o;e/=o;for(d=1;d<=j;++d)WF(a),r=f*d+1.5707963267948966,a.K[a.u]=b[0]+h*(Math.sin(r)*e-Math.cos(r)*g),a.N[a.u]=b[1]+h*(Math.cos(r)*e+Math.sin(r)*g)}else if(0<a.F){b=a.I[a.F];c=a.J[a.F];d=0;2==a.A[b]?a.H[b][1]!=c?d=a.H[b][1]:d=a.H[b][2]:2==a.A[c]&&(a.H[c][1]!=
|
|
418
|
+
b?d=a.H[c][1]:d=a.H[c][2],o=b,b=c,c=o);0==d&&(a.H[b][1]!=c?d=a.H[b][1]:d=a.H[b][2]);e=a.K[c]-a.K[b];g=a.N[c]-a.N[b];o=Math.sqrt(e*e+g*g);0.001>o&&(o=0.001);g/=o;e/=o;r=o/2;u=h*Math.sin(0.5*(3.141592653589793-f));o=1;0<(a.N[d]-a.N[b])*e-(a.K[d]-a.K[b])*g&&(u=-u,o=0);q=a.K[b]+r*e-u*g;u=a.N[b]+u*e+r*g;for(d=1;d<=j;++d)WF(a),r=f*(d+0.5)+3.141592653589793*o,a.K[a.u]=q+h*(Math.sin(r)*e-Math.cos(r)*g),a.N[a.u]=u+h*(Math.cos(r)*e+Math.sin(r)*g),1==o?(d==j&&(a.K[a.u]=a.K[b],a.N[a.u]=a.N[b]),d==j-1&&(a.K[a.u]=
|
|
419
|
+
a.K[c],a.N[a.u]=a.N[c])):(d==j-1&&(a.K[a.u]=a.K[b],a.N[a.u]=a.N[b]),d==j&&(a.K[a.u]=a.K[c],a.N[a.u]=a.N[c]))}else{b=0.5;6==j&&(b=0);for(d=1;d<=j;++d)WF(a),r=f*(d-b),a.K[a.u]=a.M+h*Math.sin(r),a.N[a.u]=a.P+h*Math.cos(r)}b=j;h=0;for(f=1;f<=b;++f)cG(a),a.t[a.v]=1,h=a.u-b+f,a.A[h]=2,a.I[a.v]=h,a.J[a.v]=h+1;a.J[a.v]=a.u-b+1;if(209==a.o.d){if(a.t[a.v-4]=2,a.t[a.v-2]=2,a.t[a.v]=2,0<a.F)if(1==a.t[a.F]){if(b=0,1<a.A[a.I[a.F]]&&(b=a.H[a.I[a.F]][1],h=a.I[a.F],b==a.J[a.F]&&(b=a.H[a.I[a.F]][2])),0==b&&1<a.A[a.J[a.F]]&&
|
|
420
|
+
(b=a.H[a.J[a.F]][1],h=a.J[a.F],b==a.J[a.F]&&(b=a.H[a.J[a.F]][2])),0<b)for(f=1;f<=a.v;++f)if(a.I[f]==b&&a.J[f]==h||a.I[f]==h&&a.J[f]==b){1!=a.t[f]&&(a.t[a.v-4]=1,a.t[a.v-2]=1,a.t[a.v]=1,a.t[a.v-5]=2,a.t[a.v-3]=2,a.t[a.v-1]=3);break}}else a.t[a.v-4]=1,a.t[a.v-2]=1,a.t[a.v]=1,a.t[a.v-5]=2,a.t[a.v-3]=2,a.t[a.v-1]=2}else if(221==a.o.d||223==a.o.d)if(0<a.F){if(1==a.t[a.F]){b=!1;for(f=1;f<=a.A[a.I[a.F]];++f)if(h=a.H[a.I[a.F]][f],1<a.t[tI(a,a.I[a.F],h)]){b=!0;break}for(f=1;f<=a.A[a.J[a.F]];++f)if(h=a.H[a.J[a.F]][f],
|
|
421
|
+
1<a.t[tI(a,a.J[a.F],h)]){b=!0;break}b||(a.t[a.F]=2)}a.t[a.v-4]=2;a.c[a.u-2]=5}else 0<a.E?221==a.o.d?(a.t[a.v-4]=1,a.t[a.v-2]=1,a.t[a.v-1]=1,a.t[a.v-3]=2,a.t[a.v]=2,a.c[a.u-1]=5):(a.t[a.v-3]=1,a.t[a.v-2]=1,a.t[a.v]=1,a.t[a.v-4]=2,a.t[a.v-1]=2,a.c[a.u-2]=5):(a.t[a.v-3]=1,a.t[a.v-2]=1,a.t[a.v]=1,a.t[a.v-4]=2,a.t[a.v-1]=2,a.c[a.u-2]=5);h=y(M,s,-1,a.u+1,1);for(f=1;f<=j;++f)b=a.u-j+f,c=a.v-j+f,a.H[b][1]=b-1,a.H[b][2]=b+1,b=a.I[c],e=a.J[c],a.L[c]=O(N(cF((a.K[b]+a.K[e])/2))),a.O[c]=O(N(cF((a.N[b]+a.N[e])/
|
|
422
|
+
2)));a.H[a.u-j+1][1]=a.u;a.H[a.u][2]=a.u-j+1;for(f=a.u-j+1;f<=a.u;++f){h[f]=0;g=51;c=0;for(b=1;b<=a.u-j;++b)e=a.K[f]-a.K[b],d=a.N[f]-a.N[b],e=e*e+d*d,50>e&&e<g&&(g=e,c=b);0<c&&(0==a.E||c==a.E)&&(h[f]=c)}g=a.v-j;f=g+1;a:for(;f<=g+j;++f)if(b=a.I[f],e=a.J[f],0<h[b]&&0<h[e]){for(c=1;c<=g;++c)if(a.I[c]==h[b]&&a.J[c]==h[e]||a.J[c]==h[b]&&a.I[c]==h[e])continue a;cG(a);a.t[a.v]=a.t[f];a.I[a.v]=h[b];a.H[h[b]][++a.A[h[b]]]=h[e];a.J[a.v]=h[e];a.H[h[e]][++a.A[h[e]]]=h[b];a.L[a.v]=O(N(cF((a.K[a.I[a.v]]+a.K[a.J[a.v]])/
|
|
423
|
+
2)));a.O[a.v]=O(N(cF((a.N[a.I[a.v]]+a.N[a.J[a.v]])/2)))}else 0<h[b]?(cG(a),a.t[a.v]=a.t[f],a.I[a.v]=h[b],a.H[h[b]][++a.A[h[b]]]=e,a.J[a.v]=e,a.H[e][++a.A[e]]=h[b],a.L[a.v]=O(N(cF((a.K[a.I[a.v]]+a.K[a.J[a.v]])/2))),a.O[a.v]=O(N(cF((a.N[a.I[a.v]]+a.N[a.J[a.v]])/2)))):0<h[e]&&(cG(a),a.t[a.v]=a.t[f],a.I[a.v]=h[e],a.H[h[e]][++a.A[h[e]]]=b,a.J[a.v]=b,a.H[b][++a.A[b]]=h[e],a.L[a.v]=O(N(cF((a.K[a.I[a.v]]+a.K[a.J[a.v]])/2))),a.O[a.v]=O(N(cF((a.N[a.I[a.v]]+a.N[a.J[a.v]])/2))));d=a.u-j;for(f=a.u;f>d;--f)if(0<
|
|
424
|
+
h[f]&&(GF(a,f),3==a.c[h[f]])){o=0;for(b=1;b<=a.A[h[f]];++b){e=a.H[h[f]][b];for(c=1;c<=a.v;++c)(a.I[c]==h[f]&&a.J[c]==e||a.I[c]==e&&a.J[c]==h[f])&&(o+=a.t[c])}if(4<o)for(c=g+1;c<=g+j;++c)a.t[c]=1}0<a.E&&vI(a,j);-1<n&&(a.E=n)}
|
|
425
|
+
function wI(a,b,c,d){var e,f,g,j,h,n;0==a.A[a.E]?(e=0,f=1):(e=a.H[a.E][1],f=a.K[a.E]-a.K[e],e=a.N[a.E]-a.N[e],g=Math.sqrt(f*f+e*e),0.001>g&&(g=0.001),e/=g,f/=g);h=a.K[a.E]+d*f;n=a.N[a.E]+d*e;for(g=1;g<=b;++g)WF(a),j=c*g-1.5707963267948966,a.K[a.u]=h+d*(Math.sin(j)*f-Math.cos(j)*e),a.N[a.u]=n+d*(Math.cos(j)*f+Math.sin(j)*e)}function vI(a,b){var c,d;0==b&&(b=a.u);for(c=a.u;c>a.u-b;--c)d=ZF(a,c),0!=d&&(a.K[c]+=6,a.N[c]+=6)}
|
|
426
|
+
function tI(a,b,c){var d;for(d=1;d<=a.v;++d)if(a.I[d]==b&&a.J[d]==c||a.I[d]==c&&a.J[d]==b)return d;return 0}function xI(a,b,c){var d,e,f,g;e=Bh;for(f=g=0;;){++g;for(d=1;d<=a.u;++d)if(Eu(c[d])){e=c[d];break}for(d=1;d<=a.u;++d)Eu(c[d])&&!su(c[d],e)&&(e=c[d]);for(d=1;d<=a.u;++d)yu(c[d],e)&&(b[d]=g,c[d]=Bh,++f);if(f==a.u)break}return g==a.u}
|
|
427
|
+
function HE(a){var b,c,d;b=y(FE,m,-1,4,1);d=c=0;a.o&&a.o.D&&0<a.o.D.c&&(c=a.o.D.c-a.o.Z,d=a.o.D.b-3*a.o.Z);if(0>=c||0>=d)a.x=!0;else{GE(a,b);c=~~(c/2)-O(N(Math.round(b[0])));d=~~(d/2)-O(N(Math.round(b[1])));if(!a.o.rb)for(b=1;b<=a.u;++b)a.K[b]+=c,a.N[b]+=d;IE(a)}}
|
|
428
|
+
function GE(a,b){var c,d,e,f,g;f=9999;d=-9999;g=9999;e=-9999;for(c=1;c<=a.u;++c)a.K[c]<f&&(f=a.K[c]),a.K[c]>d&&(d=a.K[c]),a.N[c]<g&&(g=a.N[c]),a.N[c]>e&&(e=a.N[c]);b[0]=f+(d-f)/2;b[1]=g+(e-g)/2;b[2]=d-f;b[3]=e-g;25>b[2]&&(b[2]=25);25>b[3]&&(b[3]=25)}
|
|
429
|
+
function RF(a,b,c){var d;if(1==c)++a.B[b];else if(-1==c)--a.B[b];else switch(d=yI(a,b),-1==d&&0==c&&(0==a.B[b]?a.B[b]=1:1==a.B[b]?a.B[b]=-1:-1==a.B[b]&&(a.B[b]=0)),a.c[b]){case 2:2<d&&cs(a.o,"Charge change not possible on this boron !");0==a.B[b]?a.B[b]=1:1==a.B[b]&&(a.B[b]=0);break;case 3:3<d?cs(a.o,"Charge change not possible on this carbon !"):4>d&&(0==a.B[b]?a.B[b]=-1:-1==a.B[b]?a.B[b]=1:1==a.B[b]&&(a.B[b]=0));break;case 4:case 7:3<d?cs(a.o,"Charge change not possible on multibonded N or P !"):
|
|
430
|
+
3==d&&0==a.B[b]?a.B[b]=1:3==d&&1==a.B[b]?a.B[b]=0:3>d&&0==a.B[b]?a.B[b]=1:3>d&&1==a.B[b]?a.B[b]=-1:3>d&&-1==a.B[b]&&(a.B[b]=0);break;case 5:case 8:case 13:2<d?cs(a.o,"Charge change not possible on multibonded O or S !"):2==d&&0==a.B[b]?a.B[b]=1:2==d&&1==a.B[b]?a.B[b]=0:2>d&&0==a.B[b]?a.B[b]=-1:2>d&&-1==a.B[b]?a.B[b]=1:2>d&&1==a.B[b]&&(a.B[b]=0);break;case 9:case 10:case 11:case 12:0==d&&0==a.B[b]?a.B[b]=-1:0==d&&-1==a.B[b]?a.B[b]=0:cs(a.o,"Charge change not possible on the halogen !");break;case 18:cs(a.o,
|
|
431
|
+
"Use X button to change charge on the X atom !")}}
|
|
432
|
+
function sF(a,b){var c,d,e,f,g;f=0;g=!1;for(a.b=y(M,s,-1,a.u+1,1);;){for(e=1;e<=a.u;++e)if(0==a.b[e]){a.b[e]=++f;g=!0;break}if(!g)break;for(;g;){g=!1;for(e=1;e<=a.v;++e)c=a.I[e],d=a.J[e],0<a.b[c]&&0==a.b[d]?(a.b[d]=f,g=!0):0<a.b[d]&&0==a.b[c]&&(a.b[c]=f,g=!0)}}if(2>f||!b)return f;g=y(M,s,-1,f+1,1);for(c=1;c<=a.u;++c)++g[a.b[c]];e=0;for(c=d=1;c<=f;++c)g[c]>e&&(e=g[c],d=c);for(c=a.u;1<=c;--c)a.b[c]!=d&&GF(a,c);HE(a);cs(a.o,"Smaller part(s) removed !");return 1}
|
|
433
|
+
function ZF(a,b){var c,d,e,f,g;f=51;g=0;for(e=1;e<a.u;++e)b!=e&&(c=a.K[b]-a.K[e],d=a.N[b]-a.N[e],c=c*c+d*d,50>c&&c<f&&(f=c,g=e));return g}
|
|
434
|
+
function dG(a){var b,c,d;for(d=1;d<=a.v;++d){b=a.I[d];c=a.J[d];if(1==a.B[b]&&-1==a.B[c]||-1==a.B[b]&&1==a.B[c])if(1==a.t[d]||2==a.t[d]){if(3!=a.c[b]&&3!=a.c[c]&&a.o.zb)continue;if(1==a.c[b]||1==a.c[c])continue;if(2==a.c[b]||2==a.c[c])continue;if(9==a.c[b]||10==a.c[b]||11==a.c[b]||12==a.c[b]||9==a.c[c]||10==a.c[c]||11==a.c[c]||12==a.c[c])continue;a.B[b]=0;a.B[c]=0;++a.t[d];IF(a)}1==a.B[b]&&1==a.B[c]&&(2==a.t[d]?a.t[d]=1:3==a.t[d]&&(a.t[d]=2),IF(a));4==a.t[d]&&(a.t[d]=1)}}
|
|
435
|
+
function sI(a,b,c,d){var e,f;f=e=0;0<=a&&0<=b?e=1:0<=a&&0>b?e=2:0>a&&0>b?e=3:0>a&&0<=b&&(e=4);0<=c&&0<=d?f=1:0<=c&&0>d?f=2:0>c&&0>d?f=3:0>c&&0<=d&&(f=4);if(e<f)return 1;if(e>f)return-1;switch(e){case 1:case 4:return a<c?1:-1;case 2:case 3:return a>c?1:-1}return 0}function FF(a){var b;zI(a);b=a.t.length;a.L=y(M,s,-1,b,1);a.O=y(M,s,-1,b,1);IE(a);IF(a)}
|
|
436
|
+
function WF(a){var b,c;++a.u;a.u>a.c.length-1&&(c=a.c.length+10,b=y(M,s,-1,c,1),NH(a.c,b,a.c.length),a.c=b,b=y(M,s,-1,c,1),NH(a.B,b,a.B.length),a.B=b,b=y(M,s,-1,c,1),NH(a.y,b,a.y.length),a.y=b,b=y(M,s,-1,c,1),NH(a.e,b,a.e.length),a.e=b,b=y(Zt,m,1,c,0),NH(a.d,b,a.d.length),a.d=b,b=y(Zt,m,1,c,0),NH(a.p,b,a.p.length),a.p=b,b=y(FE,m,-1,c,1),NH(a.K,b,a.K.length),a.K=b,b=y(FE,m,-1,c,1),NH(a.N,b,a.N.length),a.N=b,b=Nt([c,7]),NH(a.H,b,a.H.length),a.H=b,c=y(M,s,-1,c,1),NH(a.A,c,a.A.length),a.A=c);a.c[a.u]=
|
|
437
|
+
3;a.B[a.u]=0;a.e[a.u]=0;a.d[a.u]=null;a.y[a.u]=0}function iF(a,b,c,d,e,f,g){var j;j=O(N(cF(a.K[c]-d/2)));g||(j-=e-d);a=O(N(cF(a.N[c]-~~(f/2))));return new pA(j-1-b,a-b,e+1+2*b,f+2*b)}
|
|
438
|
+
function cG(a){var b,c;++a.v;a.v>a.t.length-1&&(b=a.t.length+10,c=y(M,s,-1,b,1),NH(a.I,c,a.I.length),a.I=c,c=y(M,s,-1,b,1),NH(a.J,c,a.J.length),a.J=c,c=y(M,s,-1,b,1),NH(a.t,c,a.t.length),a.t=c,c=y(M,s,-1,b,1),NH(a.C,c,a.C.length),a.C=c,c=y(M,s,-1,b,1),NH(a.L,c,a.L.length),a.L=c,c=y(M,s,-1,b,1),NH(a.O,c,a.O.length),a.O=c,b=y(Zt,m,1,b,0),NH(a.f,b,a.f.length),a.f=b);a.t[a.v]=1;a.C[a.v]=0;a.f[a.v]=null}
|
|
439
|
+
function MF(a,b){var c,d,e,f,g,j,h;if(0==a.u)return l;j=b;79<b.length&&(j=b.substr(0,76)+"...");j+=(eE(),aa);j+="JME 2013-10-12 "+new aI+"\n \n";j+=LF(a.u,3)+LF(a.v,3);j+=" 0 0 0 0 0 0 0 0999 V2000\n";g=-1.7976931348623157E308;c=1.7976931348623157E308;for(e=1;e<=a.u;++e)a.N[e]>g&&(g=a.N[e]),a.K[e]<c&&(c=a.K[e]);for(e=1;e<=a.u;++e){j+=iG(0.055999999999999994*(a.K[e]-c),10,4)+iG(0.055999999999999994*(g-a.N[e]),10,4)+iG(0,10,4);h=hF(a,e);1==h.length?h+=" ":2==h.length?h+=ba:3<h.length&&(h="Q ");
|
|
440
|
+
j+=ba+h;d=0;0<a.B[e]&&4>a.B[e]?d=4-a.B[e]:0>a.B[e]&&-4<a.B[e]&&(d=4-a.B[e]);h=" 0"+LF(d,3)+" 0 0 0 0 0 0 0";f=-1;for(d=1;d<=a.z;++d)if(a.r[d][0]==e){f=a.r[d][1];break}-1<f?h+=LF(f,3):h+=" 0";j+=h+" 0 0\n"}for(e=1;e<=a.v;++e)g=a.t[e],1==a.t[e]?g=1:AI(a,e)&&(g=2),c=LF(a.I[e],3)+LF(a.J[e],3),d=0,1==a.t[e]&&1==a.C[e]?d=1:1==a.t[e]&&2==a.C[e]&&(d=6),1==a.t[e]&&3==a.C[e]&&(d=1,c=LF(a.J[e],3)+LF(a.I[e],3)),1==a.t[e]&&4==a.C[e]&&(d=6,c=LF(a.J[e],3)+LF(a.I[e],3)),j+=c+LF(g,3)+LF(d,3)+" 0 0 0\n";
|
|
441
|
+
for(e=1;e<=a.u;++e)0!=a.B[e]&&(j+="M CHG 1"+LF(e,4)+LF(a.B[e],4)+aa);return j+"M END\n"}
|
|
442
|
+
function kG(a){var b,c,d,e,f,g,j,h,n,o,r,q,u,v,D,E,J,Q,tb,X,L,ea,Hc,ig,xb,Pd,Qd,Rd,Za,Ic;r=y(M,s,-1,a.u+10,1);q=y(M,s,-1,a.u+10,1);n=y(M,s,-1,a.u+1,1);o=y(M,s,-1,7,1);xb=y(M,s,-1,a.u+1,1);v=y(BI,m,-1,a.u+1,2);D=y(BI,m,-1,a.v+1,2);ea=0;if(0==a.u)return l;sF(a,!0);ig=!0;for(h=1;h<=a.v;++h)if(9==a.t[h]){ig=!1;break}if(a.o.t&&ig){CI(a);dG(a);DI(a,D);EI(a,v,D);var Fb,td,kf,ac,Ae,ud,vd,ib,yJ,Wd,w,Aa,Mm,Nm,bt,qf,Pa,Om,Pm,Lc,Qm;Fb=y(M,s,-1,a.u+1,1);td=y(M,s,-1,a.u+1,1);ib=y(FI,m,-1,a.u+1,3);var ct=a.u,Rm,
|
|
443
|
+
uh,dt,ug,Ej,Ie,rf;Ej=y(FI,m,-1,ct+2,3);Ie=y(M,s,-1,100,1);rf=5;ug=0;Ie[0]=3;Ej[1]=Dh;Ej[2]=Eh;dt=2;if(!(3>ct))for(;rf<Ie[ug]*Ie[ug];){uh=0;for(Rm=!0;Rm&&uh<=ug&&rf>=Ie[uh]*Ie[uh];)0==rf%Ie[uh]?Rm=!1:++uh;if(Rm){Ej[++dt]=Bu(rf);if(dt>=ct)break;ug<Ie.length-1&&(++ug,Ie[ug]=rf)}rf+=2}for(w=1;w<=a.u;++w){for(Aa=Pm=1;Aa<=a.v;++Aa)(a.I[Aa]==w||a.J[Aa]==w)&&(Pm*=a.i[Aa]);Om=a.c[w];18==Om&&(Qm=a.p[w],ud=Qm.charCodeAt(0)-65+1,vd=0,1<Qm.length&&(vd=Qm.charCodeAt(1)-97),0>ud&&(ud=0),0>vd&&(vd=0),Om=28*ud+vd);
|
|
444
|
+
qf=0;-2>a.B[w]?qf=1:-2==a.B[w]?qf=2:-1==a.B[w]?qf=3:1==a.B[w]?qf=4:2==a.B[w]?qf=5:2<a.B[w]&&(qf=6);Lc=1;ib[w]=Bu(Pm);Lc*=126;ib[w]=wu(ib[w],Bu(a.y[w]*Lc));Lc*=7;ib[w]=wu(ib[w],Bu(qf*Lc));Lc*=7;ib[w]=wu(ib[w],Bu(Om*Lc));Lc*=783;ib[w]=wu(ib[w],Bu(a.A[w]*Lc))}for(Ae=0;!xI(a,Fb,ib);){bt=!1;for(w=1;w<=a.u;++w)Fb[w]!=td[w]&&(td[w]=Fb[w],bt=!0);if(bt){for(w=1;w<=a.u;++w){ib[w]=Ch;for(Aa=1;Aa<=a.A[w];++Aa)ib[w]=Fu(ib[w],Ej[Fb[a.H[w][Aa]]])}Ae=0}else if(0<Ae){for(w=1;w<=a.u;++w)ib[w]=Ch;w=1;a:for(;w<=a.u-
|
|
445
|
+
1;++w)for(Aa=w+1;Aa<=a.u;++Aa)if(Fb[w]==Fb[Aa]){ib[w]=Dh;break a}}else{for(w=1;w<=a.u;++w){ib[w]=Ch;for(Aa=1;Aa<=a.A[w];++Aa)kf=a.H[w][Aa],ib[w]=Fu(ib[w],Bu(a.c[kf]*a.i[tI(a,w,kf)]))}Ae=1}xI(a,Fb,ib);for(w=1;w<=a.u;++w)ib[w]=Bu(td[w]*a.u+Fb[w])}for(w=1;w<=a.u;++w)td[w]=Fb[w];for(Pa=1;Pa<=a.u;++Pa)for(w=1;w<=a.u;++w)if(td[w]==Pa){a.c[0]=a.c[w];a.B[0]=a.B[w];a.K[0]=a.K[w];a.N[0]=a.N[w];a.A[0]=a.A[w];a.c[w]=a.c[Pa];a.B[w]=a.B[Pa];a.K[w]=a.K[Pa];a.N[w]=a.N[Pa];a.A[w]=a.A[Pa];a.c[Pa]=a.c[0];a.B[Pa]=a.B[0];
|
|
446
|
+
a.K[Pa]=a.K[0];a.N[Pa]=a.N[0];a.A[Pa]=a.A[0];td[w]=td[Pa];td[Pa]=Pa;a.p[0]=a.p[w];a.p[w]=a.p[Pa];a.p[Pa]=a.p[0];a.e[0]=a.e[w];a.e[w]=a.e[Pa];a.e[Pa]=a.e[0];a.d[0]=a.d[w];a.d[w]=a.d[Pa];a.d[Pa]=a.d[0];a.y[0]=a.y[w];a.y[w]=a.y[Pa];a.y[Pa]=a.y[0];break}for(w=1;w<=a.z;++w)a.r[w][0]=Fb[a.r[w][0]];for(w=1;w<=a.v;++w)a.I[w]=Fb[a.I[w]],a.J[w]=Fb[a.J[w]],a.I[w]>a.J[w]&&(Wd=a.I[w],a.I[w]=a.J[w],a.J[w]=Wd,1==a.C[w]?a.C[w]=3:2==a.C[w]?a.C[w]=4:3==a.C[w]?a.C[w]=1:4==a.C[w]&&(a.C[w]=2));for(w=1;w<a.v;++w){Nm=Mm=
|
|
447
|
+
a.u;ac=0;for(Aa=w;Aa<=a.v;++Aa)a.I[Aa]<Mm?(Mm=a.I[Aa],Nm=a.J[Aa],ac=Aa):a.I[Aa]==Mm&&a.J[Aa]<Nm&&(Nm=a.J[Aa],ac=Aa);Wd=a.I[w];a.I[w]=a.I[ac];a.I[ac]=Wd;Wd=a.J[w];a.J[w]=a.J[ac];a.J[ac]=Wd;Wd=a.t[w];a.t[w]=a.t[ac];a.t[ac]=Wd;Wd=a.C[w];a.C[w]=a.C[ac];a.C[ac]=Wd;yJ=a.f[w];a.f[w]=a.f[ac];a.f[ac]=yJ}FF(a);IF(a);DI(a,D);EI(a,v,D)}else{DI(a,D);a.i=y(M,s,-1,a.v+1,1);for(u=1;u<=a.v;++u)a.i[u]=a.t[u]}c=1;a.b=y(M,s,-1,a.u+1,1);Ic=1;a.b[1]=1;for(X=0;;){L=0;for(u=1;u<=a.A[c];++u)if(g=a.H[c][u],0<a.b[g]){if(!(a.b[g]>
|
|
448
|
+
a.b[c])&&g!=xb[c]){Hc=!0;for(J=1;J<=ea;++J)if(r[J]==c&&q[J]==g||r[J]==g&&q[J]==c){Hc=!1;break}Hc&&(++ea,r[ea]=c,q[ea]=g)}}else o[++L]=g;if(0==L){if(Ic==a.u)break;c=n[X--]}else if(1==L)xb[o[1]]=c,c=o[1],a.b[c]=++Ic;else{n[++X]=c;e=0;for(u=1;u<=L;++u)if(h=tI(a,o[u],c),!D[h]){e=o[u];break}if(0==e)for(u=1;u<=L;++u)if(h=tI(a,o[u],c),2==a.i[h]||3==a.i[h]){e=o[u];break}0==e&&(e=o[1]);xb[e]=c;c=e;a.b[e]=++Ic}}xb=y(M,s,-1,a.u+1,1);b=y(M,s,-1,a.u+1,1);Q=y(BI,m,-1,a.u+1,2);Pd=y(BI,m,-1,a.u+1,2);f=Ic=X=0;for(u=
|
|
449
|
+
1;u<=a.u;++u)if(1==a.b[u]){c=u;break}a:for(;;){0<f&&(xb[c]=f);b[++Ic]=c;for(a.b[c]=0;;){L=e=0;tb=a.u+1;u=1;b:for(;u<=a.A[c];++u){g=a.H[c][u];for(E=1;E<=ea;++E)if(r[E]==g&&q[E]==c||r[E]==c&&q[E]==g)continue b;0<a.b[g]&&(++L,a.b[g]<tb&&(e=g,tb=a.b[g]))}if(0==e){if(0==X)break a;Pd[c]=!0;c=n[X--]}else break}f=c;c=e;1<L&&(n[++X]=f,Q[e]=!0)}Qd=y(M,s,-1,a.v+1,1);Rd=y(M,s,-1,a.u+1,1);if(a.o.Pb){var AJ=xb,CN=ea,et,BJ,vh,Je,ft,gt,Na,Fj,ht;vh=y(M,s,-1,a.u+1,1);for(Na=1;Na<=a.u;++Na)vh[b[Na]]=Na;ft=y(BI,m,-1,
|
|
450
|
+
a.v+1,2);for(Na=1;Na<=a.u;++Na)et=b[Na],BJ=AJ[et],Je=tI(a,et,BJ),0!=Je&&(GI(a,Je,vh,Qd,D),ft[Je]=!0);for(Na=1;Na<=a.v;++Na)ft[Na]||GI(a,Na,vh,Qd,D);Na=1;a:for(;Na<=a.u;++Na)if(!(2>a.A[Na]||4<a.A[Na])){gt=ht=0;for(Fj=1;Fj<=a.A[Na];++Fj){Je=tI(a,Na,a.H[Na][Fj]);if(5==a.i[Je])continue a;1==a.t[Je]&&0!=HI(a,Je,Na)&&++ht;2==a.t[Je]&&(gt=a.H[Na][Fj])}if(0!=ht)if(0<gt){var ja=a,DJ=Na,sf=vh,Yc=Rd,nc=void 0,Gj=void 0,Mc=void 0,Ke=void 0,Nc=void 0,Sm=void 0,Tm=void 0,Um=void 0,Xd=void 0,Zc=void 0,$c=void 0,
|
|
451
|
+
it=void 0,Hj=void 0,Yd=void 0,Ij=void 0,Le=void 0,Jj=void 0,jt=void 0,Kj=void 0,Me=void 0,EJ=void 0,tf=void 0,FJ=void 0,kt=void 0,Lj=void 0,uf=void 0,$c=1,Gj=DJ,nc=y(M,s,-1,ja.u+1,1);for(nc[1]=DJ;;){it=!1;for(Zc=1;Zc<=ja.A[Gj];++Zc)if(Mc=ja.H[Gj][Zc],!(Mc==nc[1]||Mc==nc[$c-1]))if(Ke=tI(ja,Gj,Mc),2==ja.t[Ke]&&5!=ja.i[Ke]){Gj=nc[++$c]=Mc;it=!0;break}if(!it)break}if(!(0==$c%2||2>ja.A[nc[$c]]||3<ja.A[nc[$c]])){uf=nc[1];Nc=nc[~~(($c+1)/2)];Xd=nc[$c];tf=Me=Le=Yd=0;kt=jt=!1;for(Zc=1;Zc<=ja.A[uf];++Zc)Mc=
|
|
452
|
+
ja.H[uf][Zc],Ke=tI(ja,uf,Mc),1!=ja.t[Ke]||5==ja.i[Ke]||(0==Yd?Yd=Mc:Le=Mc);0<sf[Le]&&sf[Yd]>sf[Le]&&(Sm=Yd,Yd=Le,Le=Sm);Hj=Yd;0==Yd&&(Hj=Le,jt=!0);for(Zc=1;Zc<=ja.A[Xd];++Zc)Mc=ja.H[Xd][Zc],Ke=tI(ja,Xd,Mc),1!=ja.t[Ke]||5==ja.i[Ke]||(0==Me?Me=Mc:tf=Mc);0<sf[tf]&&sf[Me]>sf[tf]&&(Sm=Me,Me=tf,tf=Sm);Kj=Me;0==Me&&(Kj=tf,kt=!0);Ij=HI(ja,tI(ja,uf,Yd),uf);Jj=HI(ja,tI(ja,uf,Le),uf);EJ=HI(ja,tI(ja,Xd,Me),Xd);FJ=HI(ja,tI(ja,Xd,tf),Xd);1<(0>Ij+Jj?-(Ij+Jj):Ij+Jj)||0!=EJ||0!=FJ?cs(ja.o,"Bad stereoinfo on allene !"):
|
|
453
|
+
(Tm=ja.K[nc[$c-1]]-ja.K[Xd],Um=ja.N[nc[$c-1]]-ja.N[Xd],Lj=Math.sqrt(Tm*Tm+Um*Um),0.001>Lj&&(Lj=0.001),0<(ja.N[Kj]-ja.N[nc[$c-1]])*(Tm/Lj)-(ja.K[Kj]-ja.K[nc[$c-1]])*(Um/Lj)?Yc[Nc]=1:Yc[Nc]=-1,jt&&(Yc[Nc]*=-1),kt&&(Yc[Nc]*=-1),Hj==Yd&&0>Ij&&(Yc[Nc]*=-1),Hj==Le&&0>Jj&&(Yc[Nc]*=-1),sf[Hj]>sf[Kj]&&(Yc[Nc]*=-1))}}else b:{var oc=a,pc=Na,DN=AJ,EN=vh,FN=r,GN=q,HN=CN,Vm=Rd,Wm=void 0,ad=void 0,lt=void 0,wh=void 0,Da=void 0,xh=void 0,xd=void 0,Mj=void 0,Zd=void 0,Pb=void 0,ia=void 0,Hb=void 0,Ne=void 0,Xm=void 0,
|
|
454
|
+
bd=void 0,oa=void 0,Ym=void 0,Hb=y(M,s,-1,4,1),Xm=y(M,s,-1,4,1),yh=oc,$d=pc,GJ=EN,mt=DN,HJ=FN,IJ=GN,IN=HN,Ib=Hb,Nj=void 0,cd=void 0,Zm=void 0,$m=void 0,nt=void 0,Oj=void 0,Oj=-1;0<mt[$d]&&(Ib[++Oj]=mt[$d]);for(cd=1;cd<=IN;++cd)HJ[cd]==$d&&(Ib[++Oj]=IJ[cd]),IJ[cd]==$d&&(Ib[++Oj]=HJ[cd]);for(cd=Oj+1;cd<yh.A[$d];++cd){nt=yh.u+1;Zm=1;c:for(;Zm<=yh.A[$d];++Zm){Nj=yh.H[$d][Zm];for($m=0;$m<cd;++$m)if(Nj==Ib[$m])continue c;GJ[Nj]<nt&&(nt=GJ[Nj],Ib[cd]=Nj)}}0==mt[$d]&&0<yh.y[$d]?(Ib[3]=Ib[2],Ib[2]=Ib[1],Ib[1]=
|
|
455
|
+
Ib[0],Ib[0]=-1):0<yh.y[$d]&&(Ib[3]=Ib[2],Ib[2]=Ib[1],Ib[1]=-1);for(Da=Mj=xh=wh=Ym=xd=Pb=0;4>Da;++Da)0>=Hb[Da]||(Wm=tI(oc,pc,Hb[Da]),Xm[Da]=HI(oc,Wm,pc),0<Xm[Da]?(++Pb,Ym=Hb[Da],xh=Hb[Da]):0>Xm[Da]?(++xd,wh=Hb[Da],xh=Hb[Da]):Mj=Hb[Da]);Zd=Pb+xd;oa=y(M,s,-1,4,1);bd=0;if(3==oc.A[pc]){if(1==Pb&&1==xd||3==Zd&&0<Pb&&0<xd){cs(oc.o,"Error in C3H stereospecification !");break b}Ne=Hb[0];1==Zd?Ne=xh:2==Zd&&(Ne=Mj);ia=rI(oc,pc,Ne,Hb);oa[0]=xh;oa[1]=-1;oa[2]=ia[2];oa[3]=ia[1];0<Pb?bd=1:bd=-1}else if(4==oc.A[pc])if(1==
|
|
456
|
+
Zd)ia=rI(oc,pc,xh,Hb),oa[0]=ia[0],oa[1]=ia[3],oa[2]=ia[2],oa[3]=ia[1],0<Pb?bd=1:bd=-1;else{Ne=Hb[0];1<Mj&&(Ne=Mj);1==Pb?Ne=Ym:1==xd&&(Ne=wh);ia=rI(oc,pc,Ne,Hb);ad=y(M,s,-1,4,1);for(Da=0;4>Da;++Da)Wm=tI(oc,pc,ia[Da]),ad[Da]=HI(oc,Wm,pc);if(4==Zd){if(0==Pb||0==xd){cs(oc.o,"Error in C4 stereospecification !");break b}if(1==Pb||1==xd)oa[0]=ia[0],oa[1]=ia[3],oa[2]=ia[2],oa[3]=ia[1],bd=ad[0];else{for(Da=0;4>Da;++Da)-1==ad[Da]&&(ad[Da]=0);Zd=2}}else if(3==Zd)if(3==Pb||3==xd)oa[0]=ia[0],oa[1]=ia[3],oa[2]=
|
|
457
|
+
ia[2],oa[3]=ia[1],0<Pb?bd=-1:bd=1;else{1==Pb?Pb=lt=1:xd=lt=-1;for(Da=0;4>Da;++Da)ad[Da]==lt&&(ad[Da]=0);Zd=2}if(2==Zd)if(1==Pb&&1==xd)ia[1]==wh?(ia[1]=ia[2],ia[2]=ia[3]):ia[2]==wh&&(ia[2]=ia[3]),oa[0]=Ym,oa[1]=wh,oa[2]=ia[2],oa[3]=ia[1],bd=1;else{if(ad[0]==ad[1]||ad[1]==ad[2]){cs(oc.o,"Error in C4 stereospecification ! 2/0r");break b}0!=ad[0]?(oa[0]=ia[0],oa[1]=ia[2],oa[2]=ia[1],oa[3]=ia[3]):(oa[0]=ia[1],oa[1]=ia[3],oa[2]=ia[2],oa[3]=ia[0]);1<Pb?bd=1:bd=-1}}var Z=oa,Pj=Hb,qb=void 0;Pj[0]==Z[1]?(qb=
|
|
458
|
+
Z[0],Z[0]=Z[1],Z[1]=qb,qb=Z[2],Z[2]=Z[3],Z[3]=qb):Pj[0]==Z[2]?(qb=Z[2],Z[2]=Z[0],Z[0]=qb,qb=Z[1],Z[1]=Z[3],Z[3]=qb):Pj[0]==Z[3]&&(qb=Z[3],Z[3]=Z[0],Z[0]=qb,qb=Z[1],Z[1]=Z[2],Z[2]=qb);Pj[1]==Z[2]?(qb=Z[1],Z[1]=Z[2],Z[2]=qb,qb=Z[2],Z[2]=Z[3],Z[3]=qb):Pj[1]==Z[3]&&(qb=Z[1],Z[1]=Z[3],Z[3]=qb,qb=Z[2],Z[2]=Z[3],Z[3]=qb);oa[2]==Hb[2]?Vm[pc]=1:oa[2]==Hb[3]?Vm[pc]=-1:cs(oc.o,"Error in stereoprocessing ! - t30");Vm[pc]*=bd}}}Za=new MH;j=y(M,s,-1,a.u+1,1);for(u=1;u<=a.u;++u)j[b[u]]=u;for(u=1;u<=a.u;++u){c=b[u];
|
|
459
|
+
Q[c]&&(Za.b.b+=ua);0<xb[u]&&II(a,c,xb[c],Za,Qd);var zh=v[c],Jb=void 0,Qj=void 0,Ah=void 0,V=void 0,V=Tc,Jb=!1;0!=a.B[c]&&(Jb=!0);0!=Rd[c]&&(Jb=!0);Ah=-1;for(Qj=1;Qj<=a.z;++Qj)if(a.r[Qj][0]==c){Ah=a.r[Qj][1];break}-1<Ah&&(Jb=!0);a.o.Ob&&0<a.e[c]&&(Jb=!0,Ah=1);switch(a.c[c]){case 2:V=Bb;break;case 3:zh?V="c":V=Gb;break;case 4:zh?(V=Nf,0<a.y[c]&&(Jb=!0)):V=ic;break;case 5:zh?V="o":V=sc;break;case 7:zh?(V="p",0<a.y[c]&&(Jb=!0)):V=uc;break;case 8:zh?V=Ag:V=Fc;break;case 13:zh?V=Eg:V=Jc;Jb=!0;break;case 6:V=
|
|
460
|
+
Kc;Jb=!0;break;case 9:V=Ub;break;case 10:V=Nb;break;case 11:V=Eb;break;case 12:V=$b;break;case 1:V=Yb;Jb=!0;break;case 19:V=vc;Jb=!0;break;case 20:V=wc;Jb=!0;break;case 21:V=xc;Jb=!0;break;case 22:V=yc;Jb=!0;break;case 18:Jb=!0,V=a.p[c],(H(V,wa)||H(V,fd)||H(V,wb))&&(Jb=!1)}Jb&&(V=Uc+V,1==Rd[c]?V+=ub:-1==Rd[c]&&(V+=vb),1==a.y[c]?V+=Yb:1<a.y[c]&&(V+=Yb+a.y[c]),0!=a.B[c]&&(0<a.B[c]?V+=xa:V+=Ba,1<hk(a.B[c])&&(V+=hk(a.B[c]))),-1<Ah&&(V+=lb+Ah),V+=Xc);Hn(Za.b,V);for(E=1;E<=ea;++E)if(r[E]==c||q[E]==c)d=
|
|
461
|
+
q[E],d==c&&(d=r[E]),j[c]<j[d]&&II(a,r[E],q[E],Za,Qd),9<E&&(Za.b.b+="%"),Gn(Za,l+(new S(E)).b);Pd[c]&&(Za.b.b+=va)}return Za.b.b}function jG(a){a=new tE(a);FF(a);return a}
|
|
462
|
+
function GF(a,b){var c,d,e,f;f=0;for(e=1;e<=a.v;++e)c=a.I[e],d=a.J[e],c!=b&&d!=b&&(++f,a.I[f]=c,c>b&&--a.I[f],a.J[f]=d,d>b&&--a.J[f],a.t[f]=a.t[e],a.C[f]=a.C[e],a.L[f]=a.L[e],a.O[f]=a.O[e],a.f[f]=a.f[e]);a.v=f;for(e=b;e<a.u;++e){a.c[e]=a.c[e+1];a.B[e]=a.B[e+1];a.K[e]=a.K[e+1];a.N[e]=a.N[e+1];a.y[e]=a.y[e+1];a.e[e]=a.e[e+1];a.d[e]=a.d[e+1];a.A[e]=a.A[e+1];a.p[e]=a.p[e+1];for(f=1;f<=a.A[e];++f)a.H[e][f]=a.H[e+1][f]}--a.u;if(0==a.u)JE(a.o);else{for(e=1;e<=a.u;++e){d=0;for(f=1;f<=a.A[e];++f)c=a.H[e][f],
|
|
463
|
+
c==b?++a.y[e]:(c>b&&--c,a.H[e][++d]=c);a.A[e]=d}e=1;a:for(;e<=a.z;++e)if(a.r[e][0]==b){for(f=e;f<a.z;++f)a.r[f][0]=a.r[f+1][0],a.r[f][1]=a.r[f+1][1];--a.z;break a}for(e=1;e<=a.z;++e)a.r[e][0]>b&&--a.r[e][0]}}
|
|
464
|
+
function HF(a,b){var c,d,e,f;c=a.I[b];d=a.J[b];for(e=b;e<a.v;++e)a.I[e]=a.I[e+1],a.J[e]=a.J[e+1],a.t[e]=a.t[e+1],a.C[e]=a.C[e+1],a.L[e]=a.L[e+1],a.O[e]=a.O[e+1],a.f[e]=a.f[e+1];--a.v;f=0;for(e=1;e<=a.A[c];++e)a.H[c][e]!=d&&(a.H[c][++f]=a.H[c][e]);a.A[c]=f;f=0;for(e=1;e<=a.A[d];++e)a.H[d][e]!=c&&(a.H[d][++f]=a.H[d][e]);a.A[d]=f;c<d&&(f=c,c=d,d=f);0==a.A[c]&&GF(a,c);0==a.A[d]&&GF(a,d)}
|
|
465
|
+
function CI(a){var b,c,d;if(!a.o.O){c=a.u;a:for(;1<=c;--c)if(d=a.H[c][1],1==a.c[c]&&1==a.A[c]&&0==a.B[c]&&1!=a.c[d]&&18>a.c[d]){for(b=1;b<=a.z;++b)if(a.r[b][0]==c)continue a;b=tI(a,c,d);1==a.t[b]&&(0==a.C[b]||!a.o.Pb)&&GF(a,c)}}}function zI(a){var b;b=a.c.length;a.H=Nt([b,7]);a.A=y(M,s,-1,b,1);for(b=1;b<=a.u;++b)a.A[b]=0;for(b=1;b<=a.v;++b)6>a.A[a.I[b]]&&(a.H[a.I[b]][++a.A[a.I[b]]]=a.J[b]),6>a.A[a.J[b]]&&(a.H[a.J[b]][++a.A[a.J[b]]]=a.I[b])}
|
|
466
|
+
function EI(a,b,c){var d,e,f,g,j,h,n,o,r;a.i=y(M,s,-1,a.v+1,1);r=y(BI,m,-1,a.u+1,2);for(h=1;h<=a.u;++h){r[h]=!1;b[h]=!1;a:{d=void 0;for(d=1;d<=a.A[h];++d)if(c[tI(a,h,a.H[h][d])]){d=!0;break a}d=!1}if(d&&!(3<a.A[h]+a.y[h]))switch(a.c[h]){case 3:case 4:case 7:case 5:case 8:case 13:r[h]=!0;break;case 18:0==a.p[h].indexOf(wb)?r[h]=!1:r[h]=!0}}if(a.n){var q;d=y(BI,m,-1,a.u+1,2);e=!1;for(h=1;h<=a.v;++h)f=a.I[h],g=a.J[h],d[f]=!0,d[g]=!0,(18==a.c[f]||18==a.c[g])&&(e=!0);if(e){h=1;a:for(;h<=a.v;++h)if(c[h]){f=
|
|
467
|
+
a.I[h];g=a.J[h];e=y(BI,m,-1,a.u+1,2);for(n=1;n<=a.A[f];++n)j=a.H[f][n],j!=g&&d[j]&&(e[j]=!0);for(q=!1;;){for(n=1;n<=a.u;++n){q=!1;if(e[n]&&d[n]&&n!=f)for(o=1;o<=a.A[n];++o){j=a.H[n][o];if(j==g){for(f=1;f<=a.u;++f)e[f]&&(5==a.c[f]&&(a.c[f]=18,a.p[f]="#8"),4==a.c[f]&&(a.c[f]=18,a.p[f]="#7"),8==a.c[f]&&(a.c[f]=18,a.p[f]="#16"));continue a}!e[j]&&d[j]&&(q=e[j]=!0)}if(q)break}if(!q)break}}}}for(j=1;j<=a.v;++j)1==a.t[j]?a.i[j]=1:AI(a,j)?a.i[j]=2:3==a.t[j]&&(a.i[j]=3);j=1;a:for(;j<=a.v;++j)if(c[j]&&(f=a.I[j],
|
|
468
|
+
g=a.J[j],r[f]&&r[g])){d=y(BI,m,-1,a.u+1,2);for(h=1;h<=a.A[f];++h)e=a.H[f][h],e!=g&&r[e]&&(d[e]=!0);for(o=!1;;){for(h=1;h<=a.u;++h){o=!1;if(d[h]&&r[h]&&h!=f)for(n=1;n<=a.A[h];++n){e=a.H[h][n];if(e==g){b[f]=!0;b[g]=!0;a.i[j]=5;continue a}!d[e]&&r[e]&&(o=d[e]=!0)}if(o)break}if(!o)break}}}function IE(a){var b,c,d;for(d=1;d<=a.v;++d)b=a.I[d],c=a.J[d],a.L[d]=O(N(cF((a.K[b]+a.K[c])/2))),a.O[d]=O(N(cF((a.N[b]+a.N[c])/2)))}function DI(a,b){var c;for(c=1;c<=a.v;++c)jF(a,a.I[c],a.J[c])?b[c]=!1:b[c]=!0}
|
|
469
|
+
function hF(a,b){var c;c=(eE(),kE)[a.c[b]];18==a.c[b]&&(c=a.p[b]);return c}function AI(a,b){return 2==a.t[b]?!0:!1}function jF(a,b,c){var d,e,f,g;g=1;a.b=y(M,s,-1,a.u+1,1);for(d=1;d<=a.u;++d)a.b[d]=0;for(d=a.b[b]=1;d<=a.A[b];++d)a.H[b][d]!=c&&(a.b[a.H[b][d]]=++g);for(f=!1;;){for(d=1;d<=a.u;++d){f=!1;if(0<a.b[d]&&d!=b)for(e=1;e<=a.A[d];++e)0==a.b[a.H[d][e]]&&(a.b[a.H[d][e]]=++g,f=!0);if(f)break}if(!f)break}return 0==a.b[c]}
|
|
470
|
+
function UF(a){var b,c;a.o.S=!0;if(a.o.Ob)a.k=-1,0==a.e[a.E]?a.e[a.E]=4:a.e[a.E]=0;else{for(b=1;b<=a.z;++b)if(a.E==a.r[b][0]){if(-1==a.o.z){for(;b<a.z;++b)a.r[b][0]=a.r[b+1][0],a.r[b][1]=a.r[b+1][1];--a.z}else c=a.o.z,a.o.r&&(a.o.hb||++a.s,c=a.s),a.r[b][1]=c;return}b=a.r.length;++a.z>b-1&&(b=Nt([b+5,2]),NH(a.r,b,a.r.length),a.r=b);a.r[a.z][0]=a.E;c=a.o.z;a.o.r&&(a.o.hb||++a.s,c=a.s);a.r[a.z][1]=c}}function DF(a){var b;a.z=0;a.s=0;kG(a);for(b=1;b<=a.u;++b)a.E=b,UF(a);a.E=0}
|
|
471
|
+
function EF(a){var b,c;b=y(FE,m,-1,4,1);GE(a,b);c=a.o.D.c;a.o.A||(c-=a.o.Z);return b[0]<~~(c/2)-24?1:b[0]>~~(c/2)+24?3:2}function AE(a,b){var c,d,e,f,g,j,h,n;c=y(FE,m,-1,4,1);GE(a,c);d=c[0];e=c[1];j=Math.sin(3.141592653589793*b/180);f=Math.cos(3.141592653589793*b/180);for(g=1;g<=a.u;++g)h=a.K[g]*f+a.N[g]*j,n=-a.K[g]*j+a.N[g]*f,a.K[g]=h,a.N[g]=n;GE(a,c);for(g=1;g<=a.u;++g)a.K[g]+=d-c[0],a.N[g]+=e-c[1]}
|
|
472
|
+
function gG(a){var b,c,d,e,f;e=f=0;for(d=1;d<=a.v;++d)b=a.K[a.I[d]]-a.K[a.J[d]],c=a.N[a.I[d]]-a.N[a.J[d]],f+=Math.sqrt(b*b+c*c);0<a.v?(f/=a.v,e=25*a.o.C/f):1<a.u&&(e=75*a.o.C/Math.sqrt((a.K[1]-a.K[2])*(a.K[1]-a.K[2])+(a.N[1]-a.N[2])*(a.N[1]-a.N[2])));for(d=1;d<=a.u;++d)a.K[d]*=e,a.N[d]*=e}
|
|
473
|
+
function KF(a,b,c){var d,e,f,g,j;if(0==c.indexOf(Uc)&&HH(c,Xc))c=c.substr(1,c.length-1-1),a.c[b]=18,a.p[b]=c,a.y[b]=0;else{f=!1;-1<c.indexOf(ya)&&(f=!0);-1<c.indexOf(nb)&&(f=!0);-1<c.indexOf(la)&&(f=!0);-1<c.indexOf("!")&&(f=!0);d=c.indexOf(lb);e=c.indexOf(Yb);g=gk(c.indexOf(xa),c.indexOf(Ba));if(-1<d){j=Ao(c,d+1);try{a.o.z=vD(j,10)}catch(h){if(h=aj(h),A(h,79))a.o.z=0;else throw h;}a.E=b;UF(a);c=c.substr(0,d-0);a.E=0}if(f)a.p[b]=c,a.c[b]=18,a.y[b]=0;else{d=c;0<e?d=c.substr(0,e-0):0<g&&(d=c.substr(0,
|
|
474
|
+
g-0));a.c[b]=H(d,Gb)?3:H(d,Bb)?2:H(d,ic)?4:H(d,sc)?5:H(d,uc)?7:H(d,Fc)?8:H(d,Ub)?9:H(d,Nb)?10:H(d,Eb)?11:H(d,$b)?12:H(d,Yb)?1:H(d,Jc)?13:H(d,Kc)?6:H(d,vc)?19:H(d,wc)?20:H(d,xc)?21:H(d,yc)?22:18;18==a.c[b]&&(a.p[b]=d);c+=ba;d=0;0<e&&(d=1,e=GH(c,++e),48<=e&&57>=e&&(d=e-48));18==a.c[b]&&(a.y[b]=d);d=0;if(0<g&&(e=GH(c,g++),43==e?d=1:45==e&&(d=-1),0!=d&&(e=GH(c,g++),!(48<=e&&57>=e)))){for(;43==e;)++d,e=GH(c,g++);for(;45==e;)--d,e=GH(c,g++)}a.B[b]=d}}}
|
|
475
|
+
function rF(a,b,c){var d,e;a.k=1;c&&(a.k=-1);b=new RD(b);try{for(;b.k=KD(b,b.b),b.k<b.j;)d=pF(vD(ND(b),10)).b,c=e=pF(vD(ND(b),10)).b,(0>c||6<c)&&(c=0),a.e[d]=c}catch(f){if(f=aj(f),A(f,79))En(f);else throw f;}}function II(a,b,c,d,e){b=tI(a,b,c);5!=a.i[b]&&AI(a,b)?d.b.b+=pb:3==a.t[b]?d.b.b+=la:9==a.t[b]?(e=sb,a=a.f[b],null!=a&&(e=a),Hn(d.b,e)):1==e[b]?d.b.b+=Xa:-1==e[b]&&(d.b.b+=Wc)}
|
|
476
|
+
function VF(a,b){var c,d;if(1==a.t[b])if(c=a.I[b],d=a.J[b],2>a.A[c]&&2>a.A[d])a.C[b]=0,cs(a.o,"Stereomarking meaningless on this bond !");else switch(a.C[b]){case 0:a.A[d]<=a.A[c]?a.C[b]=1:a.C[b]=3;break;case 1:a.C[b]=2;break;case 2:2<a.A[d]?a.C[b]=3:a.C[b]=1;break;case 3:a.C[b]=4;break;case 4:2<a.A[c]?a.C[b]=1:a.C[b]=3}else 2==a.t[b]?10==a.C[b]?a.C[b]=0:a.C[b]=10:cs(a.o,"Stereomarking allowed only on single and double bonds!")}
|
|
477
|
+
function GI(a,b,c,d,e){var f,g,j,h,n,o,r,q,u;if(!(2!=a.t[b]||5==a.i[b])&&(10==a.C[b]||a.o.q&&!e[b]))if(e=a.I[b],f=a.J[b],!(2>a.A[e]||2>a.A[f]||3<a.A[e]||3<a.A[f])){c[e]>c[f]&&(g=e,e=f,f=g);r=o=b=0;q=!1;for(n=1;n<=a.A[e];++n)g=a.H[e][n],g!=f&&(0==o?o=g:r=g);0<r&&c[o]>c[r]&&(g=o,o=r,r=g);h=tI(a,e,o);0!=d[h]?b=o:1==a.t[h]&&5!=a.i[h]&&(b=o);0==b&&(h=tI(a,e,r),0!=d[h]?b=r:1==a.t[h]&&5!=a.i[h]&&(b=r));c[b]>c[e]&&(q=!0);j=r=o=0;for(n=1;n<=a.A[f];++n)g=a.H[f][n],g!=e&&(0==r?r=g:j=g);0<j&&c[r]<c[j]&&(g=r,
|
|
478
|
+
r=j,j=g);h=tI(a,f,r);1==a.t[h]&&5!=a.i[h]&&0==d[h]&&(o=r);0==o&&(h=tI(a,f,j),1==a.t[h]&&5!=a.i[h]&&(o=j));if(!(0==b||0==o))if(h=a.K[f]-a.K[e],g=a.N[f]-a.N[e],n=Math.sqrt(h*h+g*g),0.001>n&&(n=0.001),g/=n,h/=n,r=(a.N[b]-a.N[e])*h-(a.K[b]-a.K[e])*g,u=(a.N[o]-a.N[e])*h-(a.K[o]-a.K[e])*g,2>(0>=r?0-r:r)||2>(0>=u?0-u:u))cs(a.o,"Not unique E/Z geometry !");else{j=tI(a,b,e);f=tI(a,o,f);o=1;if(0==d[j]){for(n=1;n<=a.A[b];++n)if(g=a.H[b][n],g!=e&&(h=tI(a,b,g),0!=d[h])){c[g]>c[b]?o=-d[h]:o=d[h];break}d[j]=o}0==
|
|
479
|
+
d[f]&&(0<r&&0<u||0>r&&0>u?d[f]=-d[j]:d[f]=d[j],q&&(d[f]=-d[f]))}}}function yI(a,b){var c,d,e;e=0;for(d=1;d<=a.A[b];++d)if(c=tI(a,b,a.H[b][d]),1==a.t[c])e+=1;else if(AI(a,c))e+=2;else if(3==a.t[c])e+=3;else if(9==a.t[c])return-1;return e}function HI(a,b,c){var d;d=a.C[b];return 1>d||4<d?0:1==d&&a.I[b]==c?1:2==d&&a.I[b]==c?-1:3==d&&a.J[b]==c?1:4==d&&a.J[b]==c?-1:0}
|
|
480
|
+
function IF(a){var b;for(b=1;b<=a.u;++b){var c=a,d=b,e=void 0,e=yI(c,d);if(-1==e)c.y[d]=0;else{switch(c.c[d]){case 1:2==e?c.B[d]=1:c.B[d]=0;c.y[d]=0;break;case 2:3==e||5==e?(c.y[d]=0,c.B[d]=0):3>e?c.y[d]=3-e-c.B[d]:4==e?(c.B[d]=-1,c.y[d]=0):5<e&&(c.B[d]=e-5,c.y[d]=0);break;case 3:case 6:4>e?0<c.B[d]?c.y[d]=2-e+c.B[d]:0>c.B[d]?c.y[d]=2-e-c.B[d]:c.y[d]=4-e:(c.B[d]=e-4,c.y[d]=4-e+c.B[d]);break;case 4:case 7:3>e?c.y[d]=3-e+c.B[d]:3==e?0>c.B[d]?(c.B[d]=0,c.y[d]=0):0<c.B[d]?c.y[d]=c.B[d]:c.y[d]=0:(c.B[d]=
|
|
481
|
+
4==e?1:6==e?-1:e-5,c.y[d]=0);break;case 5:2==e&&(0>c.B[d]?(c.B[d]=0,c.y[d]=0):0<c.B[d]?c.y[d]=c.B[d]:c.y[d]=0);2<e&&(c.B[d]=e-2);c.y[d]=2-e+c.B[d];break;case 8:case 13:2>e?c.y[d]=2-e+c.B[d]:2==e?0>c.B[d]?(c.B[d]=0,c.y[d]=0):0<c.B[d]?c.y[d]=c.B[d]:c.y[d]=0:3==e?2==c.A[d]?(c.B[d]=0,c.y[d]=1):(c.B[d]=1,c.y[d]=0):4==e?(c.B[d]=0,c.y[d]=0):5==e?(c.B[d]=0,c.y[d]=1):(c.B[d]=e-6,c.y[d]=0);break;case 9:case 10:case 11:case 12:1<=e&&(c.B[d]=e-1);c.y[d]=1-e+c.B[d];2<e&&(c.B[d]=0,c.y[d]=0);break;case 19:case 18:c.y[d]=
|
|
482
|
+
0}0>c.y[d]&&(c.y[d]=0)}}}function KE(a){qI(this);this.o=a;this.z=this.v=this.u=0}
|
|
483
|
+
function qF(a,b){var c,d,e,f,g,j,h;KE.call(this,a);f=l;j=nF(b);if(null!=j){h=new QD(b,j,!0);for(e=1;4>=e;++e)f=oF(h,j);g=pF(vD(so(f.substr(0,3)),10)).b;c=pF(vD(so(f.substr(3,3)),10)).b;for(e=1;e<=g;++e)WF(this),f=oF(h,j),this.K[e]=(new DH(AH(so(f.substr(0,10))))).b,this.N[e]=-(new DH(AH(so(f.substr(10,10))))).b,d=34,34>f.length&&(d=f.length),d=so(f.substr(31,d-31)),KF(this,e,d),62<=f.length&&(f=so(f.substr(60,3)),0<f.length&&(f=pF(vD(f,10)).b,0<f&&(this.E=e,a.z=f,UF(this),this.E=0)));for(e=1;e<=c;++e)cG(this),
|
|
484
|
+
f=oF(h,j),this.I[e]=pF(vD(so(f.substr(0,3)),10)).b,this.J[e]=pF(vD(so(f.substr(3,3)),10)).b,g=pF(vD(so(f.substr(6,3)),10)).b,1==g?this.t[e]=1:2==g?this.t[e]=2:3==g?this.t[e]=3:this.t[e]=9,d=0,11<f.length&&(d=pF(vD(so(f.substr(9,3)),10)).b),1==g&&1==d&&(this.t[e]=1,this.C[e]=1),1==g&&6==d&&(this.t[e]=1,this.C[e]=2);zI(this);gG(this);HE(this);for(FF(this);(h.k=KD(h,h.b),h.k<h.j)&&!(null==(f=ND(h)));){if(0==f.indexOf("M END"))break;if(0==f.indexOf("M CHG")){g=new PD(f);ND(g);ND(g);j=pF(vD(ND(g),10)).b;
|
|
485
|
+
for(e=1;e<=j;++e)c=pF(vD(ND(g),10)).b,this.B[c]=pF(vD(ND(g),10)).b}if(0==f.indexOf("M APO")){g=new PD(f);ND(g);ND(g);j=pF(vD(ND(g),10)).b;for(e=1;e<=j;++e)c=pF(vD(ND(g),10)).b,f=pF(vD(ND(g),10)).b,this.E=c,W(this,0),KF(this,this.u,vc+f),this.E=0}}CI(this);FF(this)}}
|
|
486
|
+
function nG(a,b){var c,d,e,f,g;KE.call(this,a);0==b.indexOf(da)&&(b=b.substr(1,b.length-1));HH(b,da)&&(b=b.substr(0,b.length-1-0));if(1>b.length)this.u=0;else{try{f=new PD(b);d=pF(vD(ND(f),10)).b;e=pF(vD(ND(f),10)).b;for(c=1;c<=d;++c)g=ND(f),WF(this),KF(this,this.u,g),this.K[c]=(new DH(AH(ND(f)))).b,this.N[c]=-(new DH(AH(ND(f)))).b;for(c=1;c<=e;++c)if(cG(this),this.I[c]=pF(vD(ND(f),10)).b,this.J[c]=pF(vD(ND(f),10)).b,this.t[c]=pF(vD(ND(f),10)).b,-1==this.t[c])this.t[c]=1,this.C[c]=1;else if(-2==this.t[c])this.t[c]=
|
|
487
|
+
1,this.C[c]=2;else if(-5==this.t[c])this.t[c]=2,this.C[c]=10;else if(11==this.t[c]||12==this.t[c]||13==this.t[c]||14==this.t[c])this.C[c]=this.t[c],this.t[c]=9;zI(this);gG(this);HE(this)}catch(j){j=aj(j);if(A(j,79)){j.Ic();this.u=0;return}throw j;}CI(this);FF(this)}}
|
|
488
|
+
function tF(a,b,c){var d,e,f;KE.call(this,a);f=y(M,s,-1,b.u+1,1);for(a=1;a<=b.u;++a)b.b[a]==c&&(WF(this),this.c[this.u]=b.c[a],this.K[this.u]=b.K[a],this.N[this.u]=b.N[a],this.B[this.u]=b.B[a],this.y[this.u]=b.y[a],this.e[this.u]=b.e[a],this.d[this.u]=b.d[a],this.p[this.u]=b.p[a],f[a]=this.u);for(a=1;a<=b.v;++a)if(d=b.I[a],e=b.J[a],!(b.b[d]!=c&&b.b[e]!=c)&&!(b.b[d]!=c||b.b[e]!=c))cG(this),this.t[this.v]=b.t[a],this.C[this.v]=b.C[a],this.I[this.v]=f[d],this.J[this.v]=f[e],this.f[this.v]=b.f[a];for(a=
|
|
489
|
+
1;a<=b.z;++a)d=b.r[a][0],d==c&&(++this.z,this.r[this.z][0]=f[d],this.r[this.z][1]=b.r[a][1]);this.k=b.k;FF(this);HE(this)}
|
|
490
|
+
function NF(a,b,c){var d,e,f,g,j;KE.call(this,a);for(a=1;a<=c;++a)this.u+=b[a].u,this.v+=b[a].v,this.z+=b[a].z;this.c=y(M,s,-1,this.u+1,1);this.B=y(M,s,-1,this.u+1,1);this.y=y(M,s,-1,this.u+1,1);this.e=y(M,s,-1,this.u+1,1);this.d=y(Zt,m,1,this.u+1,0);this.K=y(FE,m,-1,this.u+1,1);this.N=y(FE,m,-1,this.u+1,1);this.p=y(Zt,m,1,this.u+1,0);this.I=y(M,s,-1,this.v+1,1);this.J=y(M,s,-1,this.v+1,1);this.t=y(M,s,-1,this.v+1,1);this.f=y(Zt,m,1,this.v+1,0);this.C=y(M,s,-1,this.v+1,1);this.r=Nt([this.z+1,2]);
|
|
491
|
+
f=j=g=e=0;for(a=1;a<=c;++a){for(d=1;d<=b[a].u;++d)++e,this.c[e]=b[a].c[d],this.K[e]=b[a].K[d],this.N[e]=b[a].N[d],this.B[e]=b[a].B[d],this.y[e]=b[a].y[d],this.e[e]=b[a].e[d],this.d[e]=b[a].d[d],this.p[e]=b[a].p[d];for(d=1;d<=b[a].v;++d)++g,this.t[g]=b[a].t[d],this.C[g]=b[a].C[d],this.I[g]=b[a].I[d]+f,this.J[g]=b[a].J[d]+f,this.f[g]=b[a].f[d];for(d=1;d<=b[a].z;++d)++j,this.r[j][0]=b[a].r[d][0]+f,this.r[j][1]=b[a].r[d][1];f=e}FF(this);HE(this)}
|
|
492
|
+
function tE(a){var b;qI(this);this.o=a.o;this.u=a.u;this.v=a.v;this.z=a.z;this.c=y(M,s,-1,this.u+1,1);NH(a.c,this.c,this.u+1);this.B=y(M,s,-1,this.u+1,1);NH(a.B,this.B,this.u+1);this.y=y(M,s,-1,this.u+1,1);NH(a.y,this.y,this.u+1);this.e=y(M,s,-1,this.u+1,1);NH(a.e,this.e,this.u+1);this.d=y(Zt,m,1,this.u+1,0);NH(a.d,this.d,this.u+1);this.K=y(FE,m,-1,this.u+1,1);NH(a.K,this.K,this.u+1);this.N=y(FE,m,-1,this.u+1,1);NH(a.N,this.N,this.u+1);this.p=y(Zt,m,1,this.u+1,0);NH(a.p,this.p,this.u+1);this.I=y(M,
|
|
493
|
+
s,-1,this.v+1,1);NH(a.I,this.I,this.v+1);this.J=y(M,s,-1,this.v+1,1);NH(a.J,this.J,this.v+1);this.t=y(M,s,-1,this.v+1,1);NH(a.t,this.t,this.v+1);this.f=y(Zt,m,1,this.v+1,0);NH(a.f,this.f,this.v+1);this.C=y(M,s,-1,this.v+1,1);NH(a.C,this.C,this.v+1);this.r=Nt([this.z+1,2]);for(b=1;b<=this.z;++b)this.r[b][0]=a.r[b][0],this.r[b][1]=a.r[b][1];this.k=a.k}
|
|
494
|
+
function iG(a,b,c){var d,e,f;if(0==c)return LF(Wt(a),b);9.0E-4>(0>=a?0-a:a)&&(a=0);a=O(N(cF(a*Math.pow(10,c))))/Math.pow(10,c);e=l+(new DH(a)).b;d=to(e,uo(46));0>d&&(e+=Wa,d=to(e,uo(46)));f=e.length;for(a=1;a<=c-f+d+1;++a)e+=ab;if(0==b)return e;e.length>b&&(e=sb);c=l;for(a=1;a<=b-e.length;++a)c+=ba;return c+e}function nF(a){var b;b=new QD(a,aa,!0);if(4<JD(b))return aa;b=new QD(a,sh,!0);return 4<JD(b)?sh:null}
|
|
495
|
+
function LF(a,b){var c,d,e;d=l+(new S(a)).b;d.length>b&&(d=sb);e=l;for(c=1;c<=b-d.length;++c)e+=ba;return e+d}function oF(a,b){for(var c,d;a.k=KD(a,a.b),a.k<a.j;){d=ND(a);if(H(d,b))return ba;for(ND(a);;)if(c=d.charCodeAt(d.length-1),124==c||10==c||13==c){if(d=d.substr(0,d.length-1-0),0==d.length)return ba}else break;return d}return null}t(562,1,{95:1},KE,qF,nG,tF,NF,tE);_.b=null;_.i=null;_.k=0;_.n=!1;_.o=null;_.q=!1;_.s=0;_.u=0;_.v=0;_.w=0;_.x=!1;_.z=0;_.D=!1;_.E=0;_.F=0;_.G=0;_.M=0;_.P=0;
|
|
496
|
+
function ds(){ds=x;es=new NC(Yb)}
|
|
497
|
+
function zF(a,b){var c;ds();var d;kI.call(this);this.d=new kB("Help");new kB("Home");this.e=b;P(this,(eE(),gE));this.hc&&cC(this.hc,!1);$B(this,!1);d=Nz(b);if(1==a)this.f||(this.f=new vC(d),iI(this.f,-30,0)),this.k=this.f,c=rE(b),this.hc&&bC(this.hc.d.A.c,Gc),tA(this,new fB(2)),this.i=new NC(c+" "),R(this,this.i,Mb),d=new xA,R(d,this.j,null),this.e.Hb&&(c=new kB("Submit"),R(d,c,null)),R(this,d,Oc),MC(this.i,so(Eo(this.i.hc.b.hb,kh))),this.hc&&cC(this.hc,!0),$B(this,!0);else if(2==a)this.c||(this.c=
|
|
498
|
+
new vC(d),iI(this.c,-50,13*b.Z-80)),this.k=this.c,this.hc&&bC(this.hc.d.A.c,"Nonstandard atom"),tA(this,new fB(2)),c=new xA,R(c,new oC("atomic SMILES",1),null),R(this,c,qc),c=Yb,es&&(c=Eo(es.hc.b.hb,kh)),es=new OC(c,8),R(this,es,Mb),c=new xA,R(c,this.j,null),R(this,c,Oc);else{this.b||(this.b=new vC(d),iI(this.b,5*b.Z,0));var e,f;d="About "+(eE(),sG);this.hc&&bC(this.hc.d.A.c,d);tA(this,new kC(0));P(this,gE);R(this,new oC(sG+" Molecular Editor v2013-10-13",1),null);R(this,new oC("Peter Ertl and Bruno Bienfait",
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|
499
|
+
1),null);for(c=fE,d=0,f=c.length;d<f;++d)e=c[d],e=new oC(e,1),$z(e,this.e.y),R(this,e,null);c=new xA;R(c,this.d,null);R(c,this.j,null);R(this,c,null);this.k=this.b}ZB(this);c=this.k;jI(this.hc.d,c.b,c.c);!Mz(this)&&qA(this);aA(this)}t(563,555,Ii,zF);_.Tf=function(a){var b,c;if(a.i===this.d){try{b=new pD(this.e.I),c=oD(b),$wnd.open(c,"_blank",l)}catch(d){if(d=aj(d),A(d,67))a=this.e,b=d.i,a.lb=!0,a.K="ERROR - "+b,ZD(a);else throw d;}return!0}return!1};_.b=null;_.c=null;_.e=null;_.f=null;_.i=null;var es;
|
|
500
|
+
function JI(a,b){Lz(b)==a.b?P(b,(qB(),zB)):P(b,a.b)}
|
|
501
|
+
function KI(a){var b,c,d,e;e=l;d=!1;Lz(LI)!=a.b?(e=wa,d=!0):Lz(MI)!=a.b?(e="!#6",d=!0):Lz(NI)!=a.b?(P(OI,(qB(),zB)),P(PI,zB),P(QI,zB),P(RI,zB),e="F,Cl,Br,I"):(b=Lz(SI)!=a.b,c=Lz(TI)!=a.b,Lz(UI)!=a.b&&(b?e+="c,":c?e+="C,":e+="#6,"),Lz(VI)!=a.b&&(b?e+="n,":c?e+="N,":e+="#7,"),Lz(WI)!=a.b&&(b?e+="o,":c?e+="O,":e+="#8,"),Lz(XI)!=a.b&&(b?e+="s,":c?e+="S,":e+="#16,"),Lz(YI)!=a.b&&(b?e+="p,":c?e+="P,":e+="#15,"),Lz(OI)!=a.b&&(e+="F,"),Lz(PI)!=a.b&&(e+="Cl,"),Lz(QI)!=a.b&&(e+="Br,"),Lz(RI)!=a.b&&(e+="I,"),
|
|
502
|
+
HH(e,ya)&&(e=e.substr(0,e.length-1-0)),1>e.length&&!a.c&&(b?e=fd:c?e=wb:(P(LI,(qB(),zB)),e=wa)));b=l;d&&Lz(SI)!=a.b&&(b+=";a");d&&Lz(TI)!=a.b&&(b+=";A");Lz(ZI)!=a.b&&(b+=";R");Lz($I)!=a.b&&(b+=";!R");Lz(LI)!=a.b&&0<b.length?e=b.substr(1,b.length-1):e+=b;d=aJ.hc.b.hb.selectedIndex;0<d&&(--d,e+=";H"+d);d=bJ.hc.b.hb.selectedIndex;0<d&&(--d,e+=";D"+d);Lz(cJ)!=a.b&&(e="~");Lz(dJ)!=a.b&&(e=lb);Lz(eJ)!=a.b&&(e=ub);Lz(fJ)!=a.b&&(e="!@");MC(a.f,e)}
|
|
503
|
+
function gJ(a){hJ(a);iJ(a);var b=aJ.hc.b;wy(b,0);b.hb.options[0].selected=!0;b=bJ.hc.b;wy(b,0);b.hb.options[0].selected=!0;P(SI,a.b);P(TI,a.b);P(ZI,a.b);P($I,a.b);P(aJ,a.b);P(bJ,a.b);jJ(a)}function hJ(a){P(UI,a.b);P(VI,a.b);P(WI,a.b);P(XI,a.b);P(YI,a.b);P(OI,a.b);P(PI,a.b);P(QI,a.b);P(RI,a.b)}function iJ(a){P(LI,a.b);P(MI,a.b);P(NI,a.b)}function jJ(a){P(cJ,a.b);P(dJ,a.b);P(eJ,a.b);P(fJ,a.b);a.c=!1}
|
|
504
|
+
function AF(a){aC.call(this,"Atom/Bond Query");this.j=new kB(this.Sf());KA(this.r,new lI(this));this.b=(eE(),gE);this.d=a;this.e||(a=Nz(a),this.e=new vC(a),iI(this.e,-150,10));this.k=this.e;tA(this,new jC);P(this,this.b);a=new xA;tA(a,new PB(0,3,1));R(a,new nC("Atom type :"),null);LI=new kB(zb);MI=new kB("Any except C");NI=new kB("Halogen");R(a,LI,null);R(a,MI,null);R(a,NI,null);R(this,a,null);a=new xA;tA(a,new PB(0,3,1));R(a,new oC("Or select one or more from the list :",0),null);R(this,a,null);
|
|
505
|
+
a=new xA;tA(a,new PB(0,3,1));UI=new kB(Gb);VI=new kB(ic);WI=new kB(sc);XI=new kB(Fc);YI=new kB(uc);OI=new kB(Ub);PI=new kB(Nb);QI=new kB(Eb);RI=new kB($b);R(a,UI,null);R(a,VI,null);R(a,WI,null);R(a,XI,null);R(a,YI,null);R(a,OI,null);R(a,PI,null);R(a,QI,null);R(a,RI,null);R(this,a,null);a=new xA;tA(a,new PB(0,3,1));aJ=new oB;nB(aJ,zb);nB(aJ,ab);nB(aJ,cb);nB(aJ,jb);nB(aJ,kb);R(a,new nC("Number of hydrogens : "),null);R(a,aJ,null);R(this,a,null);a=new xA;tA(a,new PB(0,3,1));bJ=new oB;nB(bJ,zb);nB(bJ,
|
|
506
|
+
ab);nB(bJ,cb);nB(bJ,jb);nB(bJ,kb);nB(bJ,"4");nB(bJ,"5");nB(bJ,"6");R(a,new oC("Number of connections :",0),null);R(a,bJ,null);R(a,new oC(" (H's don't count.)",0),null);R(this,a,null);a=new xA;tA(a,new PB(0,3,1));R(a,new nC("Atom is :"),null);SI=new kB(Ab);R(a,SI,null);TI=new kB("Nonaromatic");R(a,TI,null);ZI=new kB(Ec);R(a,ZI,null);$I=new kB(mc);R(a,$I,null);R(this,a,null);a=new xA;P(a,GB(Lz(this)));tA(a,new PB(0,3,1));R(a,new nC("Bond is :"),null);cJ=new kB(zb);R(a,cJ,null);dJ=new kB(Ab);R(a,dJ,
|
|
507
|
+
null);eJ=new kB(Ec);R(a,eJ,null);fJ=new kB(mc);R(a,fJ,null);R(this,a,null);a=new xA;tA(a,new PB(1,3,1));this.f=new OC(wa,20);R(a,this.f,null);R(a,new kB(Cc),null);R(a,this.j,null);R(this,a,null);this.hc&&cC(this.hc,!1);$B(this,!1);hJ(this);iJ(this);jJ(this);P(SI,this.b);P(TI,this.b);P(ZI,this.b);P($I,this.b);P(aJ,this.b);P(bJ,this.b);JI(this,LI);ZB(this);a=this.k;jI(this.hc.d,a.b,a.c);!Mz(this)&&qA(this);aA(this)}t(564,555,Ii,AF);
|
|
508
|
+
_.Tf=function(a,b){var c;H(b,Cc)?(gJ(this),JI(this,LI),KI(this)):A(a.i,42)?(jJ(this),Vt(a.i)===Vt(LI)?(hJ(this),iJ(this)):Vt(a.i)===Vt(MI)?(hJ(this),iJ(this)):Vt(a.i)===Vt(NI)?(hJ(this),iJ(this)):Vt(a.i)===Vt(ZI)?P($I,this.b):Vt(a.i)===Vt($I)?(P(ZI,this.b),P(SI,this.b)):Vt(a.i)===Vt(SI)?(P(TI,this.b),P($I,this.b)):Vt(a.i)===Vt(TI)?P(SI,this.b):Vt(a.i)===Vt(cJ)||Vt(a.i)===Vt(dJ)||Vt(a.i)===Vt(eJ)||Vt(a.i)===Vt(fJ)?(gJ(this),this.c=!0):iJ(this),JI(this,a.i),KI(this)):A(a.i,43)&&(jJ(this),c=a.i,0==c.hc.b.hb.selectedIndex?
|
|
509
|
+
P(c,this.b):P(c,(qB(),zB)),KI(this));107!=this.d.d&&(this.d.d=107,CA(this.d));return!0};_.c=!1;_.d=null;_.e=null;var LI=_.f=null,cJ=null,MI=null,SI=null,dJ=null,QI=null,UI=null,bJ=null,aJ=null,PI=null,OI=null,NI=null,RI=null,VI=null,TI=null,$I=null,fJ=null,WI=null,YI=null,ZI=null,eJ=null,XI=null;function vG(){YH(this)}t(565,540,ai,vG);_.Ue=function(){this.b=-1;this.c=y(ZH,m,0,0,0);this.d=0};_.b=-1;
|
|
510
|
+
function as(a,b){var c;a.b=b;var d,e;d=null;RC();if(e=c=(e=$wnd.clipboardData.getData(Qc),null!=e?new eD(e):null))e=(UC(),XC),e=YC(e,(UC(),XC))||YC(e,VC);if(e)try{d=bD(c)}catch(f){if(f=aj(f),A(f,60))En(f);else throw f;}c=d;null!=c&&YD(b,c)}function $r(a){a=new eD(a);RC();var b,c;try{b=bD(a),c=Tn(b)?b.tS():b.toString?b.toString():"[JavaScriptObject]",$wnd.clipboardData.setData(Qc,c)}catch(d){if(d=aj(d),A(d,60))En(d);else throw d;}}function wG(){}t(566,1,{61:1,68:1},wG);_.Be=function(a){YD(this.b,a.b)};
|
|
511
|
+
_.b=null;function MG(){this.hb=Ex()}t(568,332,xi,MG);function Xr(){var a;Xr=x;kJ=(a=!1,Zf in $wnd?a=!0:$wnd.navigator.msPointerEnabled&&-1!==navigator.userAgent.toLowerCase().indexOf("touch")&&(a=!0),a);lJ=-1!=$wnd.navigator.userAgent.indexOf("Windows NT");mJ=kJ&!lJ;var b;a=K(M,s,-1,[8,8,127,46,1005,40,1001,35,10,13,27,27,1E3,36,1006,37,1003,34,1002,33,1007,39,1,16,9,9,1004,38]);Yr=y(M,s,-1,1E3,1);for(b=0;b<Yr.length;++b)Yr[b]=-999;for(b=0;b<a.length;b+=2)Yr[a[b+1]]=a[b]}
|
|
512
|
+
function Qq(a,b,c){a=new nJ(b,c,a);if(!b.Td(a,c))for(b=b.gc;b&&!b.Td(a,c);)b=b.gc}function AA(a,b,c){var d;d=new oJ;Cj(d.u,b,c);vj(a.i,d.u,0,0);jj(a.b,d);return d}function FG(a,b){return!a.f?null:b in a.f?a.f[b]:null}function ZE(a,b,c,d){b=b.b;if(b.s!=c||b.t!=d)Qw(a.i,b.u,c,d),b.s=c,b.t=d;pJ(b)}
|
|
513
|
+
function EG(a,b,c,d){Xr();this.hb=Ex();this.b=new pj;this.k=new pj;this.f=d;this.hb.style[dg]=ab;this.hb.style[bg]=ab;this.hb.style[Vg]=ff;this.hb.style[ph]=b;this.hb.style[Ue]=c;this.i=new qJ;this.i.hb.style[ph]=db;this.i.hb.style[Ue]=db;mJ?(b=new rJ,c=new sJ,vj(b,this.i,0,0),vj(b,c,0,0),Uw(this,b)):Uw(this,this.i);this.d=a;a.Vb=this;mJ?(this.n=new tJ(this),this.n.j=new uJ(this),this.n.k=new vJ(this),this.n.o=new wJ(this),this.n.n=new xJ(this),this.d&&(this.n.f=new zJ(this),this.n.i=new CJ(this),
|
|
514
|
+
this.n.b=new JJ(this))):B(this,new KJ(this),(hs(),hs(),is));B(this,this,(Vq(),Vq(),Wq));B(this,new LJ(this),(Sj(),Sj(),Tj));B(this,new MJ(this),(Uj(),Uj(),Vj));B(this,new NJ(this),(Ur(),Ur(),Vr));(Pq(),Pq(),eA).b=this}t(567,568,xi,EG);_.c=!1;_.d=null;_.e=null;_.f=null;_.i=null;_.j=!1;_.n=null;var mJ,lJ,kJ,Yr=null;function qJ(){Sw.call(this);this.hb[Gd]=bf}t(570,310,xi,qJ);function rJ(){qJ.call(this);this.hb.style[ph]=db;this.hb.style[Ue]=db}t(569,570,xi,rJ);function KJ(a){this.b=a}t(571,1,{},KJ);
|
|
515
|
+
_.uc=function(a){var b,c,d,e;d=Yj(a);e=Zj(a);c=$j(a.b);b=new OJ(a);2==c&&(b.f=4);b=OF(this.b.d,b,d,e);this.b.j=!0;b&&a.b.stopPropagation()};_.b=null;function LJ(a){this.b=a}t(572,1,{},LJ);_.vc=function(a){var b,c;b=Yj(a);c=Zj(a);a=new OJ(a);this.b.j?YF(this.b.d,a,b,c):$F(this.b.d,a,b,c);Hy(this.b.hb)};_.b=null;function MJ(a){this.b=a}t(573,1,{},MJ);_.wc=function(a){this.b.j=!1;Yj(a);Zj(a);bG(this.b.d)};_.b=null;function NJ(a){this.b=a}t(574,1,{},NJ);_.b=null;
|
|
516
|
+
function sJ(){qJ.call(this);this.hb.style[ph]=db;this.hb.style[Ue]=db}t(575,570,xi,sJ);function PJ(a,b){var c;c=b.b;c.f=4;return OF(a.b.d,c,b.e,b.f)}function uJ(a){this.b=a}t(576,1,{},uJ);_.Uf=function(a){return PJ(this,a)};_.b=null;function Js(a,b){$F(a.b.d,b.b,b.e,b.f);return OF(a.b.d,b.b,b.e,b.f)}function vJ(a){this.b=a}t(577,1,{},vJ);_.Uf=function(a){return Js(this,a)};_.b=null;function wJ(a){this.b=a}t(578,1,{},wJ);_.Uf=function(a){return YF(this.b.d,a.b,a.e,a.f)};_.b=null;
|
|
517
|
+
function xJ(a){this.b=a}t(579,1,{},xJ);_.Uf=function(){return bG(this.b.d)};_.b=null;function Lr(a,b){var c;c=N(cF(b.c));c=new gD(b,0,vg,c);uE(a.b.d,c);return!0}function zJ(a){this.b=a}t(580,1,{},zJ);_.Uf=function(a){return Lr(this,a)};_.b=null;function Mr(a,b){var c;c=N(cF(100*b.d));c=new gD(b,0,Cg,c);uE(a.b.d,c);return!0}function CJ(a){this.b=a}t(581,1,{},CJ);_.Uf=function(a){return Mr(this,a)};_.b=null;function Qr(a,b){var c;c=new gD(b,0,qe,Bh);uE(a.b.d,c);return!0}function JJ(a){this.b=a}
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|
518
|
+
t(582,1,{},JJ);_.Uf=function(a){return Qr(this,a)};var QJ=_.b=null;function RJ(){RJ=x;QJ=new Hu((Wu(),new Vu("data:image/png;base64,iVBORw0KGgoAAAANSUhEUgAAAAQAAAAECAYAAACp8Z5+AAAAEklEQVR42mM4MzPtPzJmIF0AAOqfLKHtSuV7AAAAAElFTkSuQmCC")),4,4)}function SJ(){SJ=x;TJ={}}function UJ(a,b,c){var d;c&&(b.style[xe]=c.c+kg,d=c.b,d!=Sb&&(b.style[we]=d),0!=(c.d&1)&&(b.style[ze]=rd),0!=(c.d&2)&&(b.style[ye]=$e));a.f.style[oh]=Tf}
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519
|
+
function VB(a){var b=VJ,c,d,e,f,g,j,h,n,o,r,q,u,v;c=Ni(a);c in TJ?a=TJ[c]:(d=$doc.getElementsByTagName("body")[0],e=$doc.createElement(Kg),f=$doc.createElement(Ye),f.width=1,f.height=1,g=(RJ(),QJ),f.src=g.e.b,a=(j=$doc.createTextNode("Q"),UJ(b,e,a),e.appendChild(j),e.appendChild(f),d.appendChild(e),h=ok(e),n=ok(e)+(e.offsetHeight||0),o=n-h,r=ok(f)+(f.offsetHeight||0)+1,q=n-r,u=r-h,d.removeChild(e),v=new WJ,v.b=u,v.c=q,v.d=o,v),TJ[c]=a);return a}
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520
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571
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574
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577
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_.zd=function(){this.i.zd();Kk(this.e);this.d&&(av(Gv,this.d,K(zM,m,14,[(!Qs&&(Qs=new Jk),Qs)])),this.d=null);this.b&&av(yv,this,K(zM,m,14,[(!xv&&(xv=new Jk),xv)]))};_.hd=function(a){switch(tv(a.type)){case 256:if(27==(a.keyCode||0))return kk(this),!1;case 1:if(this.hb.contains(Jo(a)))return kk(this),!1}return!0};_.Ad=function(){};_.b=!1;_.c=null;_.d=null;function wM(a){Dk();this.b=a}t(666,25,{},wM);_.Hc=function(){ev(this.b.hb)};_.b=null;function xM(a){this.b=a}t(667,1,{},xM);_.b=null;
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580
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function yM(){this.hb=Ex();var a;a=new yy(new AM(this));B(this,a,(Iq(),Iq(),Jq));B(this,a,(Fr(),Fr(),Gr))}t(668,332,xi,yM);_.Ad=function(){bk(new BM(this))};function AM(a){this.b=a}t(669,1,{},AM);_.b=null;function BM(a){this.b=a}t(670,1,ji,BM);_.xc=function(){Hy(this.b.hb)};_.b=null;function CM(a){a.hb.style[ph]=nd;a.hb.style[Ue]=nd;if(a.cb){var a=a.gb,b;A(a,104)?a.dg(null):(b=uM(a))&&b.dg(a)}}t(672,313,ii);_.cg=function(){CM(this);return new fr(G(this.hb,Yf),G(this.hb,Xf))};_.dg=function(){CM(this)};
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581
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_.eg=function(){};_.gd=function(){};_.Sd=function(){};function UL(){this.hb=$doc.createElement("label");this.hb[Gd]="mosaic-Label";this.hb.style[oh]=Tf;this.hb[Gd]="mosaic-HTML"}t(671,672,ii,UL);function tL(a){zx(this,new DM(a));this.hb[Gd]="mosaic-ImageButton"}t(673,330,ci,tL);
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582
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function zL(){var a=(jx(),mx);dx.call(this,!0,yf);this.M=a.b;this.b=new EM(this);this.b.e=!0;Uw(this,this.b);this.U=!0;this.b.i=!0;if(-1==this.db){var a=this.hb,b=1|(this.hb.__eventBits||0);zj();ew(a,b)}else this.db|=1;Io(Ho(this.hb))[Gd]=Se;this.hb.style[rh]="2147483647"}t(674,315,xi,zL);_.gd=function(a){tw(this,a);1==tv(a.type)&&Zw(this,!1)};_.b=null;
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583
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function EM(a){this.c=a;this.d=new pj;this.j=new pj;a=(Ry(),Qy);new Dz(a.e,a.c,a.d,a.f,a.b);var b;b=$doc.createElement(Pg);this.f=$doc.createElement(Sg);pv(b,this.f);this.p=!0;a=Ex();b=(qv(),rv(b));a.appendChild(b);this.hb=a;Nl();this.hb.setAttribute(tg,qm.b);-1==this.db?(a=this.hb,b=2225|(this.hb.__eventBits||0),zj(),ew(a,b)):this.db|=2225;this.hb[Gd]=Re;a=mw(this.hb)+"-vertical";Xi(this.pd(),a,!0);this.hb.style[bg]=bb;this.hb.setAttribute("hideFocus",jh);B(this,new Py(this),(Iq(),Iq(),Jq))}
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584
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t(675,353,Ki,EM);_.gd=function(a){switch(tv(a.type)){case 16:this.b=!1;break;case 32:this.b=!0}Iy(this,a)};_.Rd=function(a,b){My(this,a,b);b||this.b&&Zw(this.c,!1)};_.b=!0;_.c=null;
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585
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function DM(a){var b=(Tx(),Ux),c=(ay(),by),d;d=new Lx;d.i[sd]=ab;d.i[Bd]=0;d.i[Cd]=0;this.b=b;this.c=c;var b=d.e,c=this.b,e=this.c;Jx(b.b);b.b.d.rows[0].cells[0][jd]=c.b;Jx(b.b);b.b.d.rows[0].cells[0].style[lh]=e.b;Jx(d);b=Fx(d,0,0,!0);if(a){kk(a);c=d.j;if(c.b){var e=c.b.b,f=c.c,g=e;Hx(g,f.d);Tt(f.c,g,a);c.b=c.b.c}else e=c.c.d,jj(c.c,a);a.hb[ed]=e;pv(b,a.hb);ww(a,d)}zx(this,d);Xi(this.hb,"mosaic-WidgetWrapper",!0)}t(676,330,ci,DM);_.b=null;_.c=null;function lL(a){this.b=a}t(677,1,{},lL);
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586
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587
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function xL(a){this.b=a}t(683,1,{},xL);_.b=null;function gL(a){this.b=a}t(684,1,ji,gL);_.xc=function(){this.b.G==(cr(),dr)?Ck(this.b.s,333):this.b.G==aL&&Ck(this.b.t,333)};_.b=null;function YK(a){this.hb=a;rw(this)}t(685,313,Ki,YK);_.Uc=function(a){return B(this,a,(hs(),hs(),is))};_.Vc=function(a){return B(this,a,(Sj(),Sj(),Tj))};_.Wc=function(a){return B(this,a,(ls(),ls(),ms))};_.Xc=function(a){return B(this,a,(Uj(),Uj(),Vj))};function FM(){ut.call(this,null)}t(686,245,li,FM);
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588
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function cr(){cr=x;dr=new GM("MAXIMIZED",0);aL=new GM("MINIMIZED",1);bL=new GM("NORMAL",2);HM=K(IM,m,99,[dr,aL,bL])}function GM(a,b){I.call(this,a,b)}t(687,146,{72:1,76:1,78:1,99:1},GM);var HM,dr,aL,bL;
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589
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function ev(a){var b=(fw(),gw).scrollWidth,c=gw.scrollHeight,b=Math.max($wnd.innerWidth,b),c=Math.max($wnd.innerHeight,c),d=$doc.defaultView.getComputedStyle($doc.documentElement,null),e=parseInt(d.getPropertyValue("margin-left")),d=parseInt(d.getPropertyValue("margin-top"));a.style.marginLeft=-e+kg;a.style.marginTop=-d+kg;a.style.width=b+e+kg;a.style.height=c+d+kg}
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590
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function JM(a,b){var c,d,e;if(a.n)return!0;a.y.Ue();for(c=new yw(b);c.b.b<c.b.c.d-1;)d=CK(zw(c.b)),e=d.gb,A(e,105)&&e.td(d.qd()),d.qd()&&jj(a.y,d);return!0}
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591
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function KM(a,b){var c,d,e;if(b.b)a.d&&qk(a.d),a.d=new LM(a,b),rk(a.d,333);else for(d=new Vi(a.y);d.c<d.e.Je();)c=Wi(d),e=c.fb,Qw(b,MM(c),e.t,e.u),NM(c,e.v,e.s,K(M,s,-1,[OM(a.r.b,c).e,OM(a.q.b,c).d,OM(a.o.b,c).b,OM(a.p.b,c).c]),K(M,s,-1,[PM(a.j.b,c).e,PM(a.i.b,c).d,PM(a.e.b,c).b,PM(a.f.b,c).c]),K(M,s,-1,[QM(a.v,c),QM(a.u,c),QM(a.s,c),QM(a.t,c)]))}
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592
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function RM(){this.y=new pj;this.k=new SM(this);this.x=new TM(this.k);this.w=new UM(this.k);this.r=new VM(this.k);this.q=new WM(this.k);this.o=new XM(this.k);this.p=new YM(this.k);this.j=new ZM(this.k);this.i=new $M(this.k);this.e=new aN(this.k);this.f=new bN(this.k);this.v=new cN(this.k);this.u=new cN(this.k);this.s=new cN(this.k);this.t=new cN(this.k)}t(691,1,{});_.gg=function(a){KM(this,a)};_.d=null;_.e=null;_.f=null;_.i=null;_.j=null;_.k=null;_.n=!1;_.o=null;_.p=null;_.q=null;_.r=null;_.s=null;
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593
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_.t=null;_.u=null;_.v=null;_.w=null;_.x=null;function dN(a){var b;b=a.b;var c=a.c,d,e,f;for(e=new Vi(b.y);e.c<e.e.Je();)d=Wi(e),A(d,27)&&(d=d.bb),f=d.fb,Qw(c,MM(d),f.t,f.u),NM(d,f.v,f.s,K(M,s,-1,[OM(b.r.b,d).e,OM(b.q.b,d).d,OM(b.o.b,d).b,OM(b.p.b,d).c]),K(M,s,-1,[PM(b.j.b,d).e,PM(b.i.b,d).d,PM(b.e.b,d).b,PM(b.f.b,d).c]),K(M,s,-1,[QM(b.v,d),QM(b.u,d),QM(b.s,d),QM(b.t,d)]));eN(c);a.b.d=null;for(a=new Vi(a.b.y);a.c<a.e.Je();)b=Wi(a),A(b,27)&&(b=b.bb),b=b.fb,b.p=b.q=b.r=b.o=-1}
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594
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function LM(a,b){this.b=a;this.c=b;var c=(wk(),zk);this.n=new vk(this);this.u=c}t(692,18,{},LM);_.yc=function(){dN(this)};_.zc=function(){dN(this)};
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595
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_.Bc=function(a){var b,c,d;for(c=new Vi(this.b.y);c.c<c.e.Je();)b=Wi(c),A(b,27)&&(b=b.bb),d=b.fb,d.j=Wt(d.p+(d.t-d.p)*a),d.w=Wt(d.q+(d.u-d.q)*a),d.x=Wt(d.r+(d.v-d.r)*a),d.i=Wt(d.o+(d.s-d.o)*a),Qw(this.c,MM(b),d.j,d.w),NM(b,d.x,d.i,K(M,s,-1,[OM(this.b.r.b,b).e,OM(this.b.q.b,b).d,OM(this.b.o.b,b).b,OM(this.b.p.b,b).c]),K(M,s,-1,[PM(this.b.j.b,b).e,PM(this.b.i.b,b).d,PM(this.b.e.b,b).b,PM(this.b.f.b,b).c]),K(M,s,-1,[QM(this.b.v,b),QM(this.b.u,b),QM(this.b.s,b),QM(this.b.t,b)]))};_.b=null;_.c=null;
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596
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t(694,1,{});_.b=null;function aN(a){this.b=a}t(693,694,{},aN);function bN(a){this.b=a}t(695,694,{},bN);function $M(a){this.b=a}t(696,694,{},$M);function ZM(a){this.b=a}t(697,694,{},ZM);function XM(a){this.b=a}t(698,694,{},XM);function YM(a){this.b=a}t(699,694,{},YM);function WM(a){this.b=a}t(700,694,{},WM);function VM(a){this.b=a}t(701,694,{},VM);t(702,694,{},function(a){this.b=a});t(703,694,{},function(a){this.b=a});
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597
|
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function QM(a,b){var c=a.b,d;d=sj(c.e,b);d||(d=new LL(GL(b.hb)),z(c.e,b,d));return d.e}function cN(a){this.b=a}t(704,694,{},cN);function UM(a){this.b=a}t(705,694,{},UM);function TM(a){this.b=a}t(706,694,{},TM);function PM(a,b){var c;c=sj(a.b,b);c||(c=new LL(ZK(b.hb)),z(a.b,b,c));return c}function OM(a,b){var c;c=sj(a.c,b);c||(c=new LL(FL(b.hb)),z(a.c,b,c));return c}
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598
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function fN(a,b){var c,d;d=sj(a.f,b);if(!d){c=b.fb;a:{d=a.i;var e=uM(b),f,g,j,h,n;if(A(b,104)){if(null!=c.n&&null!=c.k){d=new fr(gN(e,!0),gN(e,!1));break a}h=b.cg();null!=c.n&&(h.c=gN(e,!0));null!=c.k&&(h.b=gN(e,!1))}else{if(null!=c.n&&null!=c.k){d=new fr(gN(e,!0),gN(e,!1));break a}h=new JL;f=b.hb;n=f.style;g=n[gg];j=n[mh];n[gg]="static";n[mh]=Ve;null!=c.n?h.c=gN(e,!0):(n[ph]=nd,h.c=(f.offsetWidth||0)+OM(d.p.b,b).c+OM(d.q.b,b).d);null!=c.k?h.b=gN(e,!1):(n[Ue]=nd,h.b=(f.offsetHeight||0)+OM(d.r.b,b).e+
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599
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OM(d.o.b,b).b);n[gg]=g;n[mh]=j}d=h}null!=c.n&&(Wj(),gq)==c.n.ig()||null!=c.k&&(Wj(),gq)!=c.k.ig()||z(a.f,b,d)}return d}function SM(a){this.i=a;this.d=new Ti;this.f=new Ti;this.c=new Ti;this.b=new Ti;this.e=new Ti}t(707,1,{},SM);_.b=null;_.c=null;_.d=null;_.e=null;_.f=null;_.i=null;function hN(a){var b;b=a.fb;if(null==b||!A(b,102))b=new iN,a.fb=b;return b}function WL(){ZL.call(this,($L(),jN))}function ZL(a){var b=(kN(),lN);RM.call(this);this.c=a;this.b=b}t(708,691,{},WL,ZL);
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600
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_.hg=function(a){var b,c,d,e,f,g,j,h,n;h=new JL;JM(this,a);n=OM(this.p.b,a).c+OM(this.q.b,a).d+PM(this.f.b,a).c+PM(this.i.b,a).d+QM(this.t,a)+QM(this.u,a);d=OM(this.r.b,a).e+OM(this.o.b,a).b+PM(this.j.b,a).e+PM(this.e.b,a).b+QM(this.v,a)+QM(this.s,a);c=this.y.d;if(0==c)return h.c=n,h.b=d,h;a=a.p;this.c==($L(),jN)?n+=(c-1)*a:d+=(c-1)*a;f=g=0;for(a=new Vi(this.y);a.c<a.e.Je();)c=Wi(a),e=hN(c),b=null,j=c.gb,A(j,105)&&(b=j,b=mN(b),b=new fr(b[1]+b[3],b[0]+b[0])),this.c==jN?(n+=fN(this.x.b,c).c,e.b=fN(this.w.b,
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601
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c).b,A(j,105)&&(n+=b.c,e.b+=b.b),f=gk(f,e.b)):(d+=fN(this.w.b,c).b,e.c=fN(this.x.b,c).c,A(j,105)&&(d+=b.b,e.c+=b.c),g=gk(g,e.c));this.c==jN?(h.c=n,h.b=d+f):(h.c=n+g,h.b=d);return h};
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|
602
|
+
_.gg=function(a){var b,c,d,e,f,g,j,h,n,o,r,q,u,v,D,E,J,Q;if(JM(this,a)&&(d=this.y.d,0!=d)){D=a.p;u=QM(this.t,a);E=QM(this.v,a);c=er(a.hb);Q=c.c-(u+QM(this.u,a));r=c.b-(E+QM(this.s,a));g=Q;c=r;this.c==($L(),jN)?g-=(d-1)*D:c-=(d-1)*D;j=h=0;for(e=new Vi(this.y);e.c<e.e.Je();)d=Wi(e),b=null,q=hN(d),v=d.gb,A(v,105)&&(b=v,b=mN(b),b=new fr(b[1]+b[3],b[0]+b[0])),this.c==jN?(q.e?++h:(q.c=fN(this.x.b,d).c,A(v,105)&&(q.c+=b.c),g-=q.c),q.d?q.b=r:(q.b=fN(this.w.b,d).b,A(v,105)&&(q.b+=b.b))):(q.d?++j:(q.b=fN(this.w.b,
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603
|
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d).b,A(v,105)&&(q.b+=b.b),c-=q.b),q.e?q.c=Q:(q.c=fN(this.x.b,d).c,A(v,105)&&(q.c+=b.c)));for(e=new Vi(this.y);e.c<e.e.Je();)d=Wi(e),b=null,q=d.fb,v=d.gb,A(v,105)&&(b=v,b=mN(b),b=new fr(b[1]+b[3],b[0]+b[0])),J=q.c,o=q.b,this.c==jN?q.e&&(J=~~(g/h)):q.d&&(o=~~(c/j)),E=0>E?0:E,n=J,f=o,A(v,105)&&(n-=b.c,f-=b.b),this.c==aM?(q.t=this.b==(kN(),lN)?u:this.b==nN?u+~~(Q/2)-~~(J/2):u+Q-J,q.u=E,q.v=n,q.s=f,E+=o+D):(this.b==(kN(),lN)?(q.t=u,q.u=E):this.b==nN?(q.t=u,q.u=E+~~(r/2)-~~(o/2)):(q.t=u,q.u=E+r-o),q.v=
|
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604
|
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n,q.s=f,u+=J+D),a.b&&(v=d.ld()-mk(a.hb)-QM(this.t,a),-1==q.p&&(q.p=v),v=d.md()-ok(a.hb)-QM(this.v,a),-1==q.q&&(q.q=v),-1==q.r&&(q.r=d.od()),-1==q.o&&(q.o=d.nd()));KM(this,a)}};_.b=null;_.c=null;function kN(){kN=x;lN=new oN("START",0);nN=new oN(Kb,1);pN=new oN("END",2);qN=K(rN,m,100,[lN,nN,pN])}function oN(a,b){I.call(this,a,b)}t(709,146,{72:1,76:1,78:1,100:1},oN);var qN,nN,pN,lN;function $L(){$L=x;jN=new sN("HORIZONTAL",0);aM=new sN("VERTICAL",1);tN=K(uN,m,101,[jN,aM])}
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|
605
|
+
function sN(a,b){I.call(this,a,b)}t(710,146,{72:1,76:1,78:1,101:1},sN);var tN,jN,aM;t(712,1,{106:1});_.f=!1;_.i=0;_.j=0;_.k=null;_.n=null;_.o=0;_.p=0;_.q=0;_.r=0;_.s=0;_.t=0;_.u=0;_.v=0;_.w=0;_.x=0;function iN(){this.f=!1}function wL(a){this.f=!1;0==a?this.d=this.e=!0:1==a?this.e=!0:2==a&&(this.d=!0)}t(711,712,{102:1,106:1},iN,wL);_.b=0;_.c=0;_.d=!1;_.e=!1;
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|
606
|
+
function vN(a,b){if(a.n)return!0;JM(a,b);if(0<a.y.d){a.b=lv(a.y,0);var c=a.b,d;d=c.fb;if(null==d||!A(d,103))d=new wN,c.fb=d;a.c=d;a.y.Ue();jj(a.y,a.b)}else a.b=null,a.c=null;return a.n=!!a.b}function xN(){RM.call(this)}t(713,691,{},xN);
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|
607
|
+
_.hg=function(a){var b,c;c=new JL;vN(this,a);if(this.b){b=fN(this.x.b,this.b).c;var d=fN(this.w.b,this.b).b;c.c=b;c.b=d;b=this.b.gb;A(b,105)&&(b=mN(b),c.c+=b[1]+b[3],c.b+=b[0]+b[0])}c.c+=OM(this.p.b,a).c+OM(this.q.b,a).d+PM(this.f.b,a).c+PM(this.i.b,a).d+QM(this.t,a)+QM(this.u,a);c.b+=OM(this.r.b,a).e+OM(this.o.b,a).b+PM(this.j.b,a).e+PM(this.e.b,a).b+QM(this.v,a)+QM(this.s,a);return c};
|
|
608
|
+
_.gg=function(a){var b,c,d,e,f;vN(this,a)&&(d=QM(this.t,a),e=QM(this.v,a),c=er(a.hb),f=c.c-(d+QM(this.u,a)),c=c.b-(e+QM(this.s,a)),b=this.b.gb,A(b,105)&&(b=mN(b),f-=b[1]+b[3],c-=b[0]+b[2]),this.c.t=d,this.c.v=f,this.c.u=e,this.c.s=c,a.b&&(d=this.c,e=this.b.ld()-mk(a.hb)-QM(this.t,a),-1==d.p&&(d.p=e),d=this.c,e=this.b.md()-ok(a.hb)-QM(this.v,a),-1==d.q&&(d.q=e),d=this.c,-1==d.r&&(d.r=this.b.od()),d=this.c,-1==d.o&&(d.o=this.b.nd())),KM(this,a))};_.b=null;_.c=null;function wN(){this.f=!1}
|
|
609
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