lazar-gui 1.0.0
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- 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
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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/validation.haml +16 -0
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function Ji(a,b,c){var a=a.o,d;try{d=new Ki(b,c.Mc(a),c.Pc(a),(c.Nc(a),c.Oc(a))),z(a.d,c,d)}catch(e){e=Li(e);if(A(e,123))throw new Mi("dragHandle must implement HasMouseDownHandlers, HasMouseUpHandlers, HasMouseMoveHandlers and HasMouseOutHandlers to be draggable",e);throw e;}Hi(b.gd(),Tb,!0);Hi(c.gd(),$d,!0);z(Ci,b,c)}function Ni(a,b){var c;c=Oi(Ci,b);var d;d=Oi(a.o.d,c);if(!d)throw new Pi("dragHandle was not draggable");Qi(d.c.b);Qi(d.e.b);Qi(d.d.b);Hi(b.gd(),Tb,!1);Hi(c.gd(),$d,!1)}
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function Ri(a){var b;a.p=!1;for(a=new Fi(a.k.n);a.c<a.e.Be();)b=Gi(a),Hi(b.gd(),ae,!1),Ii(a)}function Si(a,b){Ti(a.k.n,b)?Hi(b.gd(),ae,!1):a.p?(Ui(a.k.n,b),Hi(b.gd(),ae,!0)):(a.k.n.Ke(),Ui(a.k.n,b))}function Vi(a){this.i=a;this.k=new Wi(this);this.o=new Xi(this.k)}t(3,1,{});_.rc=function(){Yi(this.k.f,"dragdrop-dragging")};_.sc=function(){Zi(this.k.f,"dragdrop-dragging")};_.i=null;_.j=!1;_.k=null;_.n=0;_.o=null;_.p=!1;var Ci;function Wi(a){this.n=new $i;this.e=a;this.b=a.i}t(4,1,{},Wi);_.b=null;
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_.c=0;_.d=0;_.e=null;_.f=null;_.i=null;_.j=0;_.k=0;function aj(a,b,c){a.c.j=b;a.c.k=c;a.c.c=b-a.i;a.c.d=c-a.j;a.c.e.tc()}function bj(a,b){var c;c=cj(a.d,dj).b;b.b.ctrlKey||b.b.metaKey||Ei(a.c.e);Si(a.c.e,c)}function ej(a){a.c.i=null;a.c.e.sc();fj((gj(),hj(null)),a.b,0,0);var b=a.b.pb;ij=b;jj();kj=b;a.e=2}
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function Xi(a){this.d=new Di;this.c=a;this.b=new lj;mj(this.b,nj(),oj());B(this.b,this,(pj(),pj(),qj));B(this.b,this,(rj(),rj(),sj));a=this.b.pb.style;a[he]="alpha(opacity=0)";a.opacity=0;a.margin=0+(tj(),Xf);a.borderStyle=(uj(),Df);a[id]="blue"}t(5,1,{},Xi);
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_.uc=function(a){var b,c,d,e;c=a.i;d=vj(a);e=wj(a);b=xj(a.b);if(!(3==this.e||2==this.e||1!=b)&&!dj)dj=c,this.c.f=cj(this.d,dj).b,!a.b.ctrlKey&&!a.b.metaKey&&-1==Kj(this.c.n,this.c.f)&&(Ei(this.c.e),Si(this.c.e,this.c.f)),Lj(new Mj),this.f=!0,a.b.preventDefault(),this.i=d,this.j=e,b=new Nj(dj,null),dj!=this.c.f&&(c=new Nj(this.c.f,null),this.i+=b.b-c.b,this.j+=b.e-c.e),0==this.c.e.n&&!a.b.ctrlKey&&!a.b.metaKey&&(this.c.j=d+b.b,this.c.k=e+b.e,ej(this),1!=this.e&&aj(this,this.c.j,this.c.k))};
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_.vc=function(a){var b,c,d;c=a.i;b=c.pb;d=Oj(a,b);a=Pj(a,b);if(3==this.e||2==this.e){if(c!=this.b)return;this.e=3}else if(this.f&&(Qj(Rj(d-this.i),Rj(a-this.j))>=this.c.e.n?(Sj(),-1!=Kj(this.c.n,this.c.f)||Si(this.c.e,this.c.f),c=new Nj(dj,null),this.c.j=this.i+c.b,this.c.k=this.j+c.e,d+=c.b,a+=c.e,ej(this)):Tj.preventDefault()),1==this.e)return;Tj.preventDefault();aj(this,d,a)};
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_.wc=function(a){var b,c,d,e;d=a.i;b=d.pb;e=Oj(a,b);b=Pj(a,b);if(1==xj(a.b)&&(this.f=!1,dj))try{if(Sj(),1==this.e)bj(this,a);else{d!=this.b&&(c=new Nj(d,null),e+=c.b,b+=c.e);try{aj(this,e,b),this.c.e.rc(),3!=this.e&&bj(this,a)}finally{var f=this.b.pb;ij&&f==ij&&(ij=null);jj();f===kj&&(kj=null);Uj(this.b);this.e=1;this.c.f=null}}}finally{dj=null}};_.b=null;_.c=null;_.e=1;_.f=!1;_.i=0;_.j=0;var dj=null;function Mj(){}t(6,1,oi,Mj);_.xc=function(){Sj()};
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23
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function Ki(a,b,c,d){this.b=a;this.c=b;this.d=d;this.e=c}t(7,1,{},Ki);_.b=null;_.c=null;_.d=null;_.e=null;t(8,1,{});t(10,8,{});t(9,10,{});_.b=null;t(11,1,{});_.tS=function(){return ua+this.b+Aa+this.e+va};function Nj(a,b){!a||a==(gj(),hj(null))?this.i=this.f=0:(this.f=a.cd()-(a.pb.scrollLeft||0),this.i=a.dd()-(a.pb.scrollTop||0));!b||b==(gj(),hj(null))?this.d=this.c=0:(this.c=Vj(b.pb)+Wj(b.pb),this.d=Xj(b.pb)+Yj(b.pb));this.b=this.f-this.c;this.e=this.i-this.d}t(14,11,{},Nj);
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24
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_.tS=function(){return ua+this.b+Aa+this.e+va};_.b=0;_.c=0;_.d=0;_.e=0;_.f=0;_.i=0;function Sj(){try{$wnd.getSelection().removeAllRanges()}catch(a){throw Error("unselect exception:\n"+a);}}function Wj(a){try{var b=$doc.defaultView.getComputedStyle(a,null).getPropertyValue("border-left-width");return-1==b.indexOf(Xf)?0:parseInt(b.substr(0,b.length-2))}catch(c){throw Error("getBorderLeft exception:\n"+c);}}
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25
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function Yj(a){try{var b=$doc.defaultView.getComputedStyle(a,null).getPropertyValue("border-top-width");return-1==b.indexOf(Xf)?0:parseInt(b.substr(0,b.length-2))}catch(c){throw Error("getBorderTop: "+c);}}function Zj(a){try{return a.clientHeight}catch(b){throw Error("getClientHeight exception:\n"+b);}}function $j(a){try{return a.clientWidth}catch(b){throw Error("getClientWidth exception:\n"+b);}}
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function ak(a){if(a.p){a.v=a.q;a.p=!1;a.q=!1;if(a.r){var b=a.r,c=b.c;Ti(c.b,b);0==c.b.d&&bk(c.c);a.r=null}a.yc()}}function ck(a,b){var c=dk();ak(a);a.p=!0;a.q=!1;a.o=b;a.u=c;++a.s;ek(a.n,dk())}function fk(a,b){var c,d;c=a.s;d=b>=a.u+a.o;if(a.q&&!d)return d=(b-a.u)/a.o,a.Bc((1+Math.cos(3.141592653589793+3.141592653589793*d))/2),a.p&&a.s==c;if(!a.q&&b>=a.u&&(a.q=!0,a.Ac(),!(a.p&&a.s==c)))return!1;return d?(a.p=!1,a.q=!1,a.zc(),!1):!0}t(17,1,{});_.yc=function(){this.v&&this.zc()};
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_.zc=function(){this.Bc((1+Math.cos(6.283185307179586))/2)};_.Ac=function(){this.Bc((1+Math.cos(3.141592653589793))/2)};_.o=-1;_.p=!1;_.q=!1;_.r=null;_.s=-1;_.t=null;_.u=-1;_.v=!1;function ek(a,b){if(fk(a.b,b)){var c=a.b,d=a.b.t,e;e=new gk(d,a.b.n);Ui(d.b,e);1==d.b.d&&hk(d.c,16);c.r=e}else a.b.r=null}function ik(a){this.b=a}t(18,1,{},ik);_.b=null;t(19,1,{});t(20,1,{2:1});function jk(){jk=x;kk=new lk}t(21,19,{});var kk=null;function lk(){this.b=new $i;this.c=new mk(this)}t(22,21,{},lk);
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function nk(){nk=x;ok=new $i;var a=new pk;qk();rk(sk?sk:sk=new tk,a)}function bk(a){a.c?$wnd.clearInterval(a.d):$wnd.clearTimeout(a.d);Ti(ok,a)}function hk(a,b){if(0>b)throw new uk("must be non-negative");a.c?$wnd.clearInterval(a.d):$wnd.clearTimeout(a.d);Ti(ok,a);a.c=!1;a.d=vk(a,b);Ui(ok,a)}function wk(a){return $wnd.setInterval(C(function(){a.Cc()}),100)}function vk(a,b){return $wnd.setTimeout(C(function(){a.Cc()}),b)}t(24,1,{});_.Cc=function(){this.c||Ti(ok,this);this.Dc()};_.c=!1;_.d=0;var ok;
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29
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function mk(a){nk();this.b=a}t(23,24,{},mk);_.Dc=function(){var a=this.b,b,c,d,e,f;b=y(xk,s,3,a.b.d,0);b=yk(a.b,b);c=new zk;for(e=0,f=b.length;e<f;++e)d=b[e],Ti(a.b,d),ek(d.b,c.b);0<a.b.d&&hk(a.c,Qj(5,16-(dk()-c.b)))};_.b=null;function gk(a,b){this.c=a;this.b=b}t(25,20,{2:1,3:1},gk);_.b=null;_.c=null;t(27,1,{});_.b=null;function Ak(){this.b=Wc}t(26,27,{},Ak);function Bk(){this.b=cd}t(28,27,{},Bk);function Ck(){this.b=fd}t(29,27,{},Ck);t(31,1,{});_.b=null;function Dk(a){this.b=a}t(30,31,{},Dk);
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30
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function Ek(){this.b=gd}t(32,27,{},Ek);function Fk(){this.b=jd}t(33,27,{},Fk);function Gk(){this.b=od}t(34,27,{},Gk);function Hk(){this.b=wd}t(35,27,{},Hk);function Ik(){this.b=Fd}t(36,27,{},Ik);function Jk(){this.b=Gd}t(37,27,{},Jk);function Kk(){this.b=Hd}t(38,27,{},Kk);function Lk(){this.b=Id}t(39,27,{},Lk);function Mk(){this.b=Pd}t(40,27,{},Mk);function Nk(){this.b=Qd}t(41,27,{},Nk);function Ok(){this.b=Sd}t(42,27,{},Ok);function Pk(){this.b=Zd}t(43,27,{},Pk);function Qk(){this.b=oe}
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31
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t(44,27,{},Qk);function Rk(){this.b=ve}t(45,27,{},Rk);function Sk(){this.b=we}t(46,27,{},Sk);function Tk(){this.b=ye}t(47,27,{},Tk);function Uk(){this.b=Be}t(48,27,{},Uk);function Vk(a){this.b=a.id}t(49,1,{4:1,5:1},Vk);_.b=null;function Wk(){this.b=Me}t(50,27,{},Wk);function Xk(){this.b=Ve}t(51,27,{},Xk);function Yk(){this.b=We}t(52,27,{},Yk);function Zk(){this.b=Xe}t(53,27,{},Zk);function $k(){this.b=Ye}t(54,27,{},$k);function al(){this.b=$e}t(55,27,{},al);function bl(){this.b=bf}t(56,27,{},bl);
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32
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function cl(){this.b=cf}t(57,27,{},cl);function dl(){this.b=df}t(58,27,{},dl);function fl(){this.b=ff}t(59,27,{},fl);function gl(){this.b=hf}t(60,27,{},gl);function hl(){this.b=jf}t(61,27,{},hl);function il(){this.b=kf}t(62,27,{},il);function jl(){this.b=qf}t(63,27,{},jl);function kl(){this.b=Cf}t(64,27,{},kl);function ll(){this.b=Ff}t(65,27,{},ll);function ml(){this.b=Of}t(66,27,{},ml);function nl(){this.b=Vf}t(67,27,{},nl);t(68,31,{},function(a){this.b=a});function ol(){this.b=Wf}t(69,27,{},ol);
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33
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function pl(){pl=x;ql=new Dk("aria-activedescendant")}var ql;function rl(){this.b=$f}t(71,27,{},rl);function sl(){this.b=bg}t(72,27,{},sl);function tl(){this.b=eg}t(73,27,{},tl);
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34
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function ul(){ul=x;vl=new Bk;wl=new Ak;xl=new Ck;yl=new Ek;zl=new Fk;Al=new Gk;Bl=new Hk;Cl=new Ik;Dl=new Jk;El=new Kk;Fl=new Lk;Gl=new Mk;Hl=new Nk;Il=new Ok;Jl=new Pk;Kl=new Qk;Ll=new Sk;Ml=new Rk;Nl=new Tk;Ol=new Uk;Pl=new Wk;Ql=new Xk;Rl=new Zk;Sl=new $k;Tl=new Yk;Ul=new al;Vl=new bl;Wl=new cl;Xl=new dl;Yl=new gl;Zl=new il;$l=new jl;am=new hl;bm=new fl;cm=new kl;dm=new ll;em=new ml;fm=new nl;gm=new ol;hm=new sl;im=new rl;jm=new tl;km=new lm;mm=new nm;om=new pm;qm=new rm;sm=new tm;um=new vm;wm=
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35
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new xm;ym=new zm;Am=new Bm;Cm=new Sm;Tm=new Um;Vm=new Wm;Xm=new Ym;Zm=new $m;an=new bn;cn=new dn;en=new fn;gn=new hn;jn=new kn;F=new Di;z(F,eg,jm);z(F,Wc,wl);z(F,Qd,Hl);z(F,cd,vl);z(F,fd,xl);z(F,Zd,Jl);z(F,gd,yl);z(F,jd,zl);z(F,od,Al);z(F,wd,Bl);z(F,we,Ll);z(F,Fd,Cl);z(F,ye,Nl);z(F,Gd,Dl);z(F,Hd,El);z(F,Id,Fl);z(F,Pd,Gl);z(F,We,Tl);z(F,Sd,Il);z(F,oe,Kl);z(F,ve,Ml);z(F,Be,Ol);z(F,Me,Pl);z(F,Ve,Ql);z(F,Xe,Rl);z(F,Ye,Sl);z(F,$e,Ul);z(F,bf,Vl);z(F,cf,Wl);z(F,df,Xl);z(F,ff,bm);z(F,hf,Yl);z(F,jf,am);z(F,
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36
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kf,Zl);z(F,Of,em);z(F,$f,im);z(F,qf,$l);z(F,Cf,cm);z(F,Ff,dm);z(F,Vf,fm);z(F,Wf,gm);z(F,bg,hm);z(F,ig,om);z(F,jg,km);z(F,kg,mm);z(F,rg,sm);z(F,sg,um);z(F,pg,qm);z(F,vg,wm);z(F,xg,ym);z(F,yg,Am);z(F,Ag,Vm);z(F,Cg,Cm);z(F,Dg,Tm);z(F,Ig,Xm);z(F,Jg,Zm);z(F,Kg,an);z(F,Lg,cn);z(F,Sg,jn);z(F,Tg,en);z(F,Ug,gn)}var wl,vl,xl,yl,zl,Al,Bl,Cl,Dl,El,Fl,Gl,Hl,Il,Jl,Kl,Ml,Ll,Nl,Ol,Pl,Ql,Tl,Rl,Sl,Ul,Vl,Wl,Xl,bm,Yl,am,Zl,$l,cm,dm,em,fm,gm,im,hm,jm,F,om,km,mm,qm,sm,um,wm,ym,Am,Vm,Cm,Tm,Xm,Zm,an,cn,jn,en,gn;
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37
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function pm(){this.b=ig}t(75,27,{},pm);function lm(){this.b=jg}t(76,27,{},lm);function nm(){this.b=kg}t(77,27,{},nm);function rm(){this.b=pg}t(78,27,{},rm);function tm(){this.b=rg}t(79,27,{},tm);function vm(){this.b=sg}t(80,27,{},vm);function xm(){this.b=vg}t(81,27,{},xm);function zm(){this.b=xg}t(82,27,{},zm);function Bm(){this.b=yg}t(83,27,{},Bm);function Wm(){this.b=Ag}t(84,27,{},Wm);function Sm(){this.b=Cg}t(85,27,{},Sm);function Um(){this.b=Dg}t(86,27,{},Um);function Ym(){this.b=Ig}
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38
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t(87,27,{},Ym);function $m(){this.b=Jg}t(88,27,{},$m);function bn(){this.b=Kg}t(89,27,{},bn);function dn(){this.b=Lg}t(90,27,{},dn);function kn(){this.b=Sg}t(91,27,{},kn);function fn(){this.b=Tg}t(92,27,{},fn);function hn(){this.b=Ug}t(93,27,{},hn);function zk(){this.b=dk()}function dk(){return(new Date).getTime()}t(94,1,{},zk);function ln(a){var b,c,d;d=new mn;for(c=a;c;)b=c.Ec(),c!=a&&(d.b.b+="Caused by: "),nn(d,c.cZ.e),d.b.b+=mb,on(d.b,null==b?"(No exception detail)":b),d.b.b+=aa,c=c.f}
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39
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function pn(a){var b,c,d;c=y(qn,s,130,a.length,0);for(d=0,b=a.length;d<b;++d){if(!a[d])throw new rn;c[d]=a[d]}}function sn(a){var b;b=a.cZ.e;a=a.Ec();return null!=a?b+mb+a:b}t(99,1,{116:1,131:1});_.Ec=function(){return this.i};_.tS=function(){return sn(this)};_.f=null;_.i=null;function tn(a){un();this.i=a}t(98,99,di,tn);function Pi(a){un();this.i=a}function Mi(a,b){un();this.f=b;this.i=a}t(97,98,pi,Pi,Mi);
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40
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function vn(a){un();this.c=a;this.b=l;var b,c,d;c=wn(xn(this.c)?this.c:null);d=y(qn,s,130,c.length,0);for(a=0,b=d.length;a<b;++a)d[a]=new yn(c[a]);pn(d)}t(96,97,pi,vn);
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41
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_.Ec=function(){if(null==this.d){this.e=null==this.c?Hf:xn(this.c)?null==this.c?null:this.c.name:A(this.c,1)?"String":zn(this.c).e;this.b=this.b+mb+(xn(this.c)?null==this.c?null:this.c.message:this.c+l);var a;if(xn(this.c)){a=this.c;var b=l,c;for(c in a)if(c!=Bf&&"message"!=c&&"toString"!=c)try{b+="\n "+c+mb+a[c]}catch(d){}a=b}else a=l;this.d=ua+this.e+") "+a+this.b}return this.d};_.b=l;_.c=null;_.d=null;_.e=null;function An(a,b){return Bn(a)?a.eQ(b):a===b}function zn(a){return Bn(a)?a.cZ:Cn}
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42
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+
function Dn(a){return Bn(a)?a.hC():xi(a)}
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|
43
|
+
function En(){var a;En=x;Fn=(a="\\u0000,\\u0001,\\u0002,\\u0003,\\u0004,\\u0005,\\u0006,\\u0007,\\b,\\t,\\n,\\u000B,\\f,\\r,\\u000E,\\u000F,\\u0010,\\u0011,\\u0012,\\u0013,\\u0014,\\u0015,\\u0016,\\u0017,\\u0018,\\u0019,\\u001A,\\u001B,\\u001C,\\u001D,\\u001E,\\u001F".split(","),a[34]='\\"',a[92]="\\\\",a[173]="\\u00ad",a[1536]="\\u0600",a[1537]="\\u0601",a[1538]="\\u0602",a[1539]="\\u0603",a[1757]="\\u06dd",a[1807]="\\u070f",a[6068]="\\u17b4",a[6069]="\\u17b5",a[8203]="\\u200b",a[8204]="\\u200c",
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44
|
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a[8205]="\\u200d",a[8206]="\\u200e",a[8207]="\\u200f",a[8232]="\\u2028",a[8233]="\\u2029",a[8234]="\\u202a",a[8235]="\\u202b",a[8236]="\\u202c",a[8237]="\\u202d",a[8238]="\\u202e",a[8288]="\\u2060",a[8289]="\\u2061",a[8290]="\\u2062",a[8291]="\\u2063",a[8292]="\\u2064",a[8298]="\\u206a",a[8299]="\\u206b",a[8300]="\\u206c",a[8301]="\\u206d",a[8302]="\\u206e",a[8303]="\\u206f",a[65279]="\\ufeff",a[65529]="\\ufff9",a[65530]="\\ufffa",a[65531]="\\ufffb",a)}
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45
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function wj(a){var b;return(b=a.c)?Pj(a,b):a.b.clientY||0}t(183,184,Wh);function Ep(){Ep=x;Fp=new wp(zd,new Gp)}function Gp(){}t(182,183,Wh,Gp);_.Gc=function(a){a.Lc(this)};_.Jc=function(){return Fp};var Fp;function Hp(){Hp=x;Ip=new wp(Jd,new Jp)}function Jp(){}t(185,178,{},Jp);_.Gc=function(){this.b.preventDefault();this.b.stopPropagation()};_.Jc=function(){return Ip};var Ip;t(188,1,{82:1});_.hC=function(){return this.d};_.tS=function(){return"Event type"};var Kp=_.d=0;
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function $p(){$p=x;aq=new wp(be,new bq)}function bq(){}t(191,190,{},bq);_.Gc=function(){this.b.stopPropagation();this.b.preventDefault()};_.Jc=function(){return aq};var aq;function cq(){cq=x;dq=new wp(ce,new eq)}function eq(){}t(192,190,{},eq);_.Gc=function(){this.b.stopPropagation();this.b.preventDefault()};_.Jc=function(){return dq};var dq;function fq(){fq=x;gq=new wp(de,new hq)}function hq(){}t(193,190,{},hq);_.Gc=function(){this.b.stopPropagation();this.b.preventDefault()};_.Jc=function(){return gq};
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63
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var gq;function iq(){iq=x;jq=new wp(ee,new kq)}function kq(){}t(194,190,{},kq);_.Gc=function(a){var b,c,d,e;this.b.stopPropagation();this.b.preventDefault();d=(this.b.dataTransfer||null).files;e=0;a:for(;e<d.length;++e){if(0<a.b.e&&e>=a.b.e)break a;b=d[e];c=new FileReader;lq(c,a.b.c);1==a.b.d&&c.readAsText(b)}0==d.length&&(b=(this.b.dataTransfer||null).getData(Gg),a.b.c.b.b.f.pb[Wg]=null!=b?b:l)};_.Jc=function(){return jq};var jq;function mq(){mq=x;nq=new wp(je,new oq)}function oq(){}
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function wq(){}t(197,178,{},wq);_.Gc=function(a){a.b.b&&(a.b.c.b=null,xq(a.b.b,a.b.c))};_.Jc=function(){return vq};var vq;function yq(){yq=x;zq=new wp(te,new Aq)}function Aq(){}t(198,178,{},Aq);_.Gc=function(){this.b.preventDefault()};_.Jc=function(){return zq};var zq;t(200,178,{});t(199,200,{});function Bq(){Bq=x;Cq=new wp(Re,new Dq)}function Dq(){}t(201,199,{},Dq);
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66
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67
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Lq(b));break;case 110:case 78:c=401;break;case 111:case 79:c=501;break;case 115:case 83:c=601;break;case 112:case 80:c=1101;break;case 102:case 70:c=701;break;case 108:case 76:c=801;break;case 98:case 66:c=901;break;case 105:case 73:c=1001;break;case 120:case 88:a.Sb&&(Mq(a,ao((Nq(),Oq).hc.b.pb,Wg)),c=1201,a.e=18);break;case 104:case 72:a.lb=!0;a.K=Ub;c=1300;break;case 114:case 82:a.lb=!0;a.K=oc;c=1301;break;case 116:case 84:701==a.d?(c=236,a.lb=!0,a.K=Ka):801==a.d?(c=237,a.lb=!0,a.K=Ja):(c=233,a.lb=
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68
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69
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70
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Pq(a,5):c=208;break;case 54:105==a.d?Pq(a,6):c=210;break;case 55:105==a.d?Pq(a,7):c=211;break;case 56:105==a.d?Pq(a,8):c=212;break;case 57:105==a.d?Pq(a,9):(a.lb=!0,a.K="9 ring",c=229);break;case 100:case 68:case 8:case 127:c=104;break;case 32:c=205;break;case 109:case 77:case 1002:c=151;break;case 119:case 87:case 1003:c=152}Qq(a,c)}a=!0}a&&this.b.preventDefault()};_.Jc=function(){return Cq};var Cq;function Rq(){Rq=x;Sq=new wp(sf,new Tq)}function Tq(){}t(202,183,Wh,Tq);_.Gc=function(a){a.uc(this)};
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71
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72
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74
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function Ds(a){return Cs(a.l,a.m,a.h)}function Cs(a,b,c){return _=new Es,_.l=a,_.m=b,_.h=c,_}
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87
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89
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90
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91
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92
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93
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94
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95
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104
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a.type;Iu.call(this,a)});Lu=C(function(a){if(Gu(a)){var b=kj;b&&b.__listener&&!xn(b.__listener)&&A(b.__listener,56)&&(bu(a,b,b.__listener),a.stopPropagation())}});$wnd.addEventListener(zd,Lu,!0);$wnd.addEventListener(Ld,Lu,!0);$wnd.addEventListener(sf,Lu,!0);$wnd.addEventListener(wf,Lu,!0);$wnd.addEventListener(tf,Lu,!0);$wnd.addEventListener(vf,Lu,!0);$wnd.addEventListener(uf,Lu,!0);$wnd.addEventListener(xf,Lu,!0);$wnd.addEventListener(Re,Gu,!0);$wnd.addEventListener(Te,Gu,!0);$wnd.addEventListener(Se,
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+
function fD(a,b,c,d){var e,f,g,j,h,n,o,q,r;if(!a.rb&&(j=c-b+1,!(0>=j||b>a.vb||c>a.vb))){h=a.C;e=y(gD,s,-1,4,1);o=y(gD,s,-1,99,1);g=r=q=0;for(f=b;f<=c;++f)hD(a.gb[f],e),q+=e[2],r+=e[3],e[3]>g&&(g=e[3]),o[f]=e[2],2==d&&(o[f]=e[3]);a.A&&(q+=25*(j+1),r+=25*(j+1),g+=25);(0==a.D.c||0==a.D.b)&&(a.D=pz(a));0==a.D.c&&(a.D.c=400);0==a.D.b&&(a.D.b=300);n=f=1;e=a.D.c;j=a.D.b;a.A||(e-=a.Z,j-=3*a.Z);1==d||3==d?e=~~((e-48)/2):2==d&&(j=~~(j/2));q>=e&&(f=e/q);g>=j&&(n=j/g);g=0;a.A&&(a.C=f<n?f:n,g=25*e/q,2==d&&(g=
|
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259
|
+
25*j/r));for(f=b;f<=c;++f)2==d?o[f]=o[f]*j/r:o[f]=o[f]*e/q;q=-e/2;r=0;1==d?q=-e-24:3==d?q=24:2==d&&(q=0,r=-j);for(f=b;f<=c;++f){if(a.A){for(b=1;b<=a.gb[f].u;++b)a.gb[f].K[b]*=a.C,a.gb[f].N[b]*=a.C;iD(a.gb[f])}2==d?r+=o[f]/2+g:q+=o[f]/2+g;for(b=1;b<=a.gb[f].u;++b)a.gb[f].K[b]+=q,a.gb[f].N[b]+=r;2==d?r+=o[f]/2:q+=o[f]/2;a.A||jD(a.gb[f])}a.C*=h}}
|
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260
|
+
function kD(a){var b;a.nb=!0;a.d=202;a.qb=!1;if(0!=a.vb){a.nb=!0;a.i=!0;for(b=a.f;b<a.vb;++b)a.gb[b]=a.gb[b+1];--a.vb;a.f=a.vb;0<a.vb?a.$=a.gb[a.f]:(a.$=new lD(a),a.$.s=0);null!=a.tb&&BC(a.tb,null)}}function mD(a,b){var c,d,e,f;f=new jB;d=Ac;c="MOL";e="MOL or SDF";b&&(d="SMIRKS",e=c=vc);d=new bB(Mb+d);var g=(WC(),XC).c;d.d=g;hB(f,d);uz(d.e,a);d=new bB(Mb+c);d.d=ZC.c;uz(d.e,a);hB(f,d);a.wb&&(hB(f,new bB(Ba)),c=a.yb,null==c&&(c="Paste "+e),d=new bB(c),d.d=$C.c,uz(d.e,a),hB(f,d));sy(a,f);return f}
|
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261
|
+
function nD(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);X(b,HC);a.pb?(f==a.d&&X(b,qA(HC)),QA(b,h,g,a.Z,a.Z),X(b,(aA(),fA)),oD(b,h,g,a.Z-1,a.Z-1)):f==a.d?PA(b,h+1,g+1,a.Z,a.Z,!1):PA(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(X(b,(aA(),hA)),f){case 101:X(b,kA);f=h+3;d=g+3;c=a.Z-6;e=a.Z-6;pD(b,!0);qD(b,rD(b,f,d,c,e));X(b,hA);f=h+3;d=g+3;c=a.Z-
|
|
262
|
+
6;e=a.Z-6;b.o&&(pD(b,!1),qD(b,rD(b,f,d,c,e)));sD(b,h+6,g+6,a.Z-12,a.Z-12,-35,-110);QA(b,h+9,g+9,2,4);QA(b,h+a.Z-10,g+9,2,4);0.04>Math.random()&&(X(b,iA),QA(b,h+10,g+18,4,4));0.96<Math.random()&&(X(b,kA),QA(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);Y(b,d,g+a.Z-c,j,g+~~(a.Z/2));Y(b,h+~~(a.Z/2),g+~~(a.Z/2),e,g+a.Z-c);n=g+a.Z-c;f=~~(a.Z/24);Y(b,j-f,n,j-2*f,n);Y(b,j+f,n,j+2*f,n);X(b,lA);Y(b,d,g+c,j,g+~~(a.Z/2));Y(b,h+~~(a.Z/2),g+~~(a.Z/2),e,g+c);n=g+c;Y(b,j-f,n,j-2*f,n);Y(b,j+f,
|
|
263
|
+
n,j+2*f,n);X(b,hA);break;case 107:X(b,jA);QA(b,h+4,g+4,a.Z-8,a.Z-8);X(b,hA);oD(b,h+4,g+4,a.Z-8,a.Z-8);sD(b,h+6,g+6,a.Z-11,a.Z-12,-35,-110);QA(b,h+9,g+9,2,4);QA(b,h+a.Z-10,g+9,2,4);break;case 108:f=~~(a.Z/4);Y(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);Y(b,h,d,h+f,d);g+=~~(a.Z/3);a=h-f;Y(b,a,g,h,g);h=~~((a+h)/2);g-=~~(f/2);Y(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),X(b,nA),oD(b,c,e,d,d),X(b,gA),j=h+~~(a.Z/2),a=g+~~(a.Z/2),n=c+d,o=g+f,g=
|
|
264
|
+
o+f,Y(b,c,g,j,o),Y(b,j,o,n,g),g=e+d+f,o=g+f,Y(b,c,g,j,o),Y(b,j,o,n,g),h+=f,n=h+f,g=e+d,Y(b,n,e,h,a),Y(b,h,a,n,g),h=c+d+f,n=h+f,Y(b,h,e,n,a),Y(b,n,a,h,g));break;case 110:tD(b,h,g,a.Z,!0);break;case 111:tD(b,h,g,a.Z,!1);break;case 109:Y(b,h+c,g+~~(a.Z/2),h+a.Z-c,g+~~(a.Z/2));Y(b,h+a.Z-c,g+~~(a.Z/2),h+a.Z-~~(3*c/2),g+~~(a.Z/2)+~~(c/2));Y(b,h+a.Z-c,g+~~(a.Z/2),h+a.Z-~~(3*c/2),g+~~(a.Z/2)-~~(c/2));break;case 102:X(b,bA);QA(b,h+3,g+5,a.Z-7,a.Z-11);X(b,hA);oD(b,h+3,g+5,a.Z-7,a.Z-11);break;case 103:X(b,HC);
|
|
265
|
+
a.qb&&PA(b,h+1,g+1,a.Z,a.Z,!1);X(b,hA);uD(a,b,h,g,"NEW");break;case 106:X(b,iA);Y(b,h+7,g+7,h+a.Z-7,g+a.Z-7);Y(b,h+8,g+7,h+a.Z-6,g+a.Z-7);Y(b,h+7,g+a.Z-7,h+a.Z-7,g+7);Y(b,h+8,g+a.Z-7,h+a.Z-6,g+7);X(b,hA);Y(b,h+c,g+~~(a.Z/2),h+12,g+~~(a.Z/2));uD(a,b,h+6,g,oc);break;case 104:X(b,iA);Y(b,h+7,g+7,h+a.Z-7,g+a.Z-7);Y(b,h+8,g+7,h+a.Z-6,g+a.Z-7);Y(b,h+7,g+a.Z-7,h+a.Z-7,g+7);Y(b,h+8,g+a.Z-7,h+a.Z-6,g+7);X(b,hA);break;case 105:a.Ob?(X(b,mA),Y(b,h+11,g+5,h+9,g+9),Y(b,h+9,g+9,h+4,g+9),Y(b,h+4,g+9,h+8,g+12),Y(b,
|
|
266
|
+
h+8,g+12,h+6,g+18),Y(b,h+6,g+18,h+11,g+15),Y(b,h+12,g+5,h+14,g+9),Y(b,h+14,g+9,h+19,g+9),Y(b,h+19,g+9,h+15,g+12),Y(b,h+15,g+12,h+17,g+18),Y(b,h+17,g+18,h+12,g+15),X(b,hA)):uD(a,b,h,g,"123");break;case 114:X(b,oA);f=a.Z-8;d=h+~~((a.Z-f)/2);c=g+~~((a.Z-f)/2);QA(b,d,c,f,f);X(b,hA);vD(a,b,h,g,bA,"i");break;case 201:Y(b,h+c,g+~~(a.Z/2),h+a.Z-c,g+~~(a.Z/2)+2);Y(b,h+c,g+~~(a.Z/2),h+a.Z-c,g+~~(a.Z/2)-2);Y(b,h+a.Z-c,g+~~(a.Z/2)+2,h+a.Z-c,g+~~(a.Z/2)-2);break;case 202:Y(b,h+c,g+~~(a.Z/2),h+a.Z-c,g+~~(a.Z/2));
|
|
267
|
+
break;case 203:Y(b,h+c,g+~~(a.Z/2)-2,h+a.Z-c,g+~~(a.Z/2)-2);Y(b,h+c,g+~~(a.Z/2)+2,h+a.Z-c,g+~~(a.Z/2)+2);break;case 204:Y(b,h+c,g+~~(a.Z/2),h+a.Z-c,g+~~(a.Z/2));Y(b,h+c,g+~~(a.Z/2)-3,h+a.Z-c,g+~~(a.Z/2)-3);Y(b,h+c,g+~~(a.Z/2)+3,h+a.Z-c,g+~~(a.Z/2)+3);break;case 205:Y(b,h+~~(c/2),g+2*c+~~(c/3),h+3*~~(c/2),g+2*c-~~(c/3));Y(b,h+3*~~(c/2),g+2*c-~~(c/3),h+5*~~(c/2),g+2*c+~~(c/3));Y(b,h+5*~~(c/2),g+2*c+~~(c/3),h+7*~~(c/2),g+2*c-~~(c/3));break;case 206:wD(a,b,h,g+2,3);break;case 207:wD(a,b,h,g,4);break;
|
|
268
|
+
case 208:wD(a,b,h,g,5);break;case 209:wD(a,b,h,g,1);break;case 210:wD(a,b,h,g,6);break;case 211:wD(a,b,h,g,7);break;case 212:wD(a,b,h,g,8);break;case 213:uD(a,b,h,g,"FG"),a.G=new eB(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!=LC[d]&&vD(a,b,h,g,JC[d],LC[d])}
|
|
269
|
+
function xD(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,X(d,HC),QA(d,0,0,c,b),a.pb?(X(d,(aA(),fA)),oD(d,-1,0,c,b-1)):(X(d,IC),Y(d,0,0,c-1-2,0),X(d,qA(HC)),Y(d,0,b-1,c-1,b-1),Y(d,c-1,0,c-1,b-1)),yD(d,a.Y),X(d,(aA(),hA)),-1!=a.K.toLowerCase().indexOf(ge)&&X(d,iA),zD(d,a.K,10,15),AD(a.Vb,a.J,a.Z,a.D.b-a.Z))}
|
|
270
|
+
function BD(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;X(d,HC);QA(d,0,0,c,b);a.pb?(X(d,(aA(),fA)),Y(d,0,b-1,c,b-1),e=CD*(a.Z+a.T)+2,Y(d,0,e,c,e),Y(d,0,e,0,b),Y(d,a.Z-1,e,a.Z-1,b-a.Z)):(X(d,IC),Y(d,0,0,0,b-1),Y(d,0,CD*a.Z,b-1,CD*a.Z),X(d,qA(HC)),Y(d,c-1,0,c-1,b-1-a.Z),Y(d,0,b-1,c-1,b-1));for(b=3;b<=CD+2;++b)nD(a,d,1,b);AD(a.Vb,a.R,0,2*a.Z+a.T)}}
|
|
271
|
+
function DD(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;X(e,a.u);QA(e,0,0,c,b);d=a.eb?(mB(),pB):(mB(),rB);if((mB(),nB)==(mB(),nB))d==pB?e.b=l:e.b=ug;d=new zz(a.fb);(e.o=d)&&d&&(e.c='stroke-width="'+d.f+ha);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,q=void 0,r=n=void 0,u=void 0,v=void 0,D=void 0,E=D=q=o=void 0,J=void 0,R=void 0,ub=o=v=q=j=void 0,W=o=j=void 0,M=h=q=h=void 0,da=D=R=void 0,J=h=r=q=q=E=u=M=j=W=W=v=M=J=r=W=M=u=da=r=J=n=R=o=v=v=E=J=void 0,
|
|
272
|
+
D=R=1,n=2,da=3;f.x&&(iD(f),fD(f.o,1,f.o.vb,0),f.x=!1);n*=f.o.C;da*=f.o.C;j=1;0.7>f.o.C&&(j=1.2);j=O(N(ED(13*f.o.C*j)));FD(f.o,j);f.o.B&&(X(g,(aA(),hA)),oD(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]&&(X(g,(FC(),MC)[f.e[j]]),h=g,q=L(f.K[j]-o/2),W=L(f.N[j]-o/2),M=u=o,pD(h,!0),qD(h,rD(h,q,W,u,M)));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]&&(X(g,(FC(),MC)[f.e[h]]),J=f.K[o]-f.K[h],R=f.N[o]-f.N[h],D=Math.sqrt(J*J+
|
|
273
|
+
R*R),1>D&&(D=1),R/=D,D=J/D,r=3*da*R,J=3*da*D,W=y(I,m,-1,4,1),q=y(I,m,-1,4,1),W[0]=L(f.K[h]+r),q[0]=L(f.N[h]-J),W[1]=L(f.K[o]+r),q[1]=L(f.N[o]-J),W[2]=L(f.K[o]-r),q[2]=L(f.N[o]+J),W[3]=L(f.K[h]-r),q[3]=L(f.N[h]+J),o=g,h=W,pD(o,!0),qD(o,GD(o,h,q,4,!0)))}for(j=1;j<=f.v;++j){X(g,(aA(),hA));h=f.I[j];o=f.J[j];1==f.k&&0!=f.e[h]&&f.e[h]==f.e[o]&&X(g,(FC(),MC)[f.e[h]]);if(3==f.C[j]||4==f.C[j])q=h,h=o,o=q;M=f.K[h];u=f.N[h];W=f.K[o];q=f.N[o];if(1!=f.t[j]||0!=f.C[j])J=W-M,R=q-u,D=Math.sqrt(J*J+R*R),1>D&&(D=1),
|
|
274
|
+
R/=D,D=J/D;switch(f.t[j]){case 2:10<=f.C[j]&&X(g,lA);r=n*R;J=n*D;Y(g,O(N(Math.round(M+r))),O(N(Math.round(u-J))),O(N(Math.round(W+r))),O(N(Math.round(q-J))));Y(g,O(N(Math.round(M-r))),O(N(Math.round(u+J))),O(N(Math.round(W-r))),O(N(Math.round(q+J))));X(g,hA);break;case 3:o=O(N(Math.round(M)));h=O(N(Math.round(u)));W=O(N(Math.round(W)));q=O(N(Math.round(q)));Y(g,o,h,W,q);M=O(N(Math.round(da*R)));u=O(N(Math.round(da*D)));Y(g,o+M,h-u,W+M,q-u);Y(g,o-M,h+u,W-M,q+u);break;case 9:case 0:for(h=0;10>h;++h)v=
|
|
275
|
+
M-(M-W)/10*h,E=u-(u-q)/10*h,Y(g,O(N(Math.round(v))),O(N(Math.round(E))),O(N(Math.round(v))),O(N(Math.round(E))));yD(g,f.o.n);o=FA(f.o.o.c).b-FA(f.o.o.c).c;J=f.f[j];h=sb;null!=J&&(h=J);J=uB(f.o.o,h);M=O(N(Math.round((M+W)/2-J/2)));r=O(N(Math.round((u+q)/2+~~(o/2)-1)));X(g,lA);zD(g,h,M,r);X(g,hA);break;default:if(1==f.C[j]||3==f.C[j])r=da*R,J=da*D,E=y(I,m,-1,3,1),v=y(I,m,-1,3,1),E[0]=O(N(Math.round(W+r))),v[0]=O(N(Math.round(q-J))),E[1]=O(N(Math.round(M))),v[1]=O(N(Math.round(u))),E[2]=O(N(Math.round(W-
|
|
276
|
+
r))),v[2]=O(N(Math.round(q+J))),o=g,h=E,q=v,pD(o,!0),qD(o,GD(o,h,q,3,!0));else if(2==f.C[j]||4==f.C[j]){r=da*R;J=da*D;for(h=0;10>h;++h)v=M-(M-W)/10*h,E=u-(u-q)/10*h,o=h/10,Y(g,O(N(Math.round(v+r*o))),O(N(Math.round(E-J*o))),O(N(Math.round(v-r*o))),O(N(Math.round(E+J*o))))}else Y(g,O(N(Math.round(M))),O(N(Math.round(u))),O(N(Math.round(W))),O(N(Math.round(q))))}}D=y(gD,s,-1,f.u+1,1);R=y(I,m,-1,f.u+1,1);for(j=1;j<=f.v;++j)h=f.I[j],o=f.J[j],n=f.K[h],q=f.K[o],++R[h],++R[o],D[h]=D[h]/R[h]+q/R[h],D[o]=
|
|
277
|
+
D[o]/R[o]+n/R[o];yD(g,f.o.n);o=FA(f.o.o.c).b-FA(f.o.o.c).c;J=y(vs,s,1,f.u+1,0);W=y(I,m,-1,f.u+1,1);q=y(I,m,-1,f.u+1,1);n=y(HD,s,99,f.u+1,0);u=2;1!=f.o.C&&(u=O(N(ED(2*f.o.C))));for(j=1;j<=f.u;++j)h=ID(f,j),(null==h||1>h.length)&&(h=wa),3==f.c[j]&&0<f.A[j]&&0==f.B[j]?(J[j]=h,W[j]=q[j]=uB(f.o.o,h),n[j]=JD(f,u,j,W[j],W[j],o,!1)):(M=D[j]<f.K[j],E=!0,1<R[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<R[j]&&(E=!1),1==R[j]&&(0>=D[j]-f.K[j]?0-(D[j]-f.K[j]):D[j]-f.K[j])<25*f.o.C/10&&
|
|
278
|
+
(M=!0),r=h,ub=l,f.o.Lb&&0<f.y[j]&&(ub+=Ub,1<f.y[j]&&(ub+=f.y[j])),v=l,0!=f.B[j]&&(1<Rj(f.B[j])&&(v+=Rj(f.B[j])),0<f.B[j]?v+=xa:v+=Ba),M||!E?h=h+ub+v+l:h=v+ub+l+h,E||(r=h),J[j]=h,r=uB(f.o.o,r),v=uB(f.o.o,h),W[j]=r,q[j]=v,v=n[j]=JD(f,u,j,r,v,o,M),M=v.d+u+1,r=v.e+o+u,X(g,f.o.u),-1==f.k&&0!=f.e[j]&&X(g,(FC(),MC)[f.e[j]]),QA(g,v.d,v.e,v.c,v.b),1==f.k?0!=f.e[j]?X(g,(FC(),MC)[f.e[j]]):X(g,(aA(),hA)):X(g,(FC(),JC)[f.c[j]]),zD(g,h,M,r));for(h=1;h<=f.z;++h)j=f.r[h][0],r=W[j],v=q[j],M=O(N(ED(f.K[j]-r/2))),r=
|
|
279
|
+
O(N(ED(f.N[j]+~~(o/2)-1))),X(g,(aA(),lA)),zD(g,ba+f.r[h][1],M+v,r);if(0<f.E||0<f.F)if(X(g,104==f.o.d?(aA(),iA):(aA(),oA)),0<f.E&&106!=f.o.d&&(v=n[f.E],oD(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],R=f.N[o]-f.N[h],D=Math.sqrt(J*J+R*R),1>D&&(D=1),R/=D,D=J/D,r=(da+1)*R,J=(da+1)*D,E=y(I,m,-1,5,1),v=y(I,m,-1,5,1),E[0]=O(N(ED(f.K[h]+r))),E[1]=O(N(ED(f.K[o]+r))),v[0]=O(N(ED(f.N[h]-J))),v[1]=O(N(ED(f.N[o]-J))),E[3]=O(N(ED(f.K[h]-r))),E[2]=O(N(ED(f.K[o]-r))),v[3]=O(N(ED(f.N[h]+J))),
|
|
280
|
+
v[2]=O(N(ED(f.N[o]+J))),E[4]=E[0],v[4]=v[0],106!=f.o.d&&(da=g,j=E,R=v,da.o&&(pD(da,!1),qD(da,GD(da,j,R,5,!0)))),106==f.o.d&&KD(f,f.I[f.F],f.J[f.F]))){da=0;for(j=1;j<=f.u;++j)0<f.b[j]&&++da;if(da>~~(f.u/2))for(j=1;j<=f.u;++j)0<f.b[j]?f.b[j]=0:f.b[j]=1;X(g,(aA(),iA));for(j=1;j<=f.u;++j)0<f.b[j]&&(v=n[j],oD(g,v.d,v.e,v.c,v.b))}}}a.A||(a.pb?(X(e,(aA(),fA)),Y(e,c-1,0,c-1,b-1)):(X(e,qA(HC)),Y(e,c-1,0,c-1,b-1),X(e,HC),Y(e,c-2,0,c-2,b-1),X(e,IC),Y(e,c-3,0,c-3,b-1)));a.Gb&&(d=~~((c-48)/2),X(e,(aA(),lA)),Y(e,
|
|
281
|
+
d,~~(b/2),d+48,~~(b/2)),Y(e,d+48,~~(b/2),d+48-6,~~(b/2)+6),Y(e,d+48,~~(b/2),d+48-6,~~(b/2)-6));a.A&&(a.U=new DA(Vb,0,13),a.X=new tB(a.U),null!=a.cb&&(d=uB(a.X,a.cb),c=O(N(Math.round((c-d)/2))),b-=13,X(e,(aA(),hA)),yD(e,a.U),zD(e,a.cb,c,b)));AD(a.Vb,a.db,a.Z,2*a.Z+a.T)}}
|
|
282
|
+
function wD(a,b,c,d,e){var f,g,j,h,n;f=~~(a.Z/4);g=!1;h=y(I,m,-1,9,1);n=y(I,m,-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]=L(c+a*Math.sin(j)),n[f]=L(d+a*Math.cos(j));f=e+1;b.o&&(pD(b,!1),qD(b,GD(b,h,n,f,2<f)));if(g){for(f=0;f<=e;++f)j=6.283185307179586/e*(f-0.5),h[f]=L(c+(a-3)*Math.sin(j)),n[f]=L(d+(a-3)*Math.cos(j));Y(b,h[0],n[0],h[1],n[1]);Y(b,h[2],n[2],h[3],n[3]);Y(b,h[4],n[4],h[5],n[5])}}
|
|
283
|
+
function LD(a){var b,c,d;if(a.ob){d=a.Rb.b;b=a.D.c;c=2*a.Z+a.T;X(d,HC);QA(d,0,0,b,c);a.pb?(X(d,(aA(),fA)),c=14*(a.Z+a.T),oD(d,c,0,b-c-1,2*a.Z+a.T-1)):(X(d,qA(HC)),Y(d,b-1,0,b-1,c-1),Y(d,0,c-1,b-1-2,c-1),X(d,IC),Y(d,0,0,b-1,0));c=a.d;233<=a.d&&262>=a.d&&(a.d=213);for(b=1;14>=b;++b)nD(a,d,b,1),nD(a,d,b,2);a.d=c;AD(a.Vb,a.Rb,0,0)}}
|
|
284
|
+
function tD(a,b,c,d,e){var f,g,j,h,n,o,q,r;n=~~(d/4);o=2+~~(n/2);g=2+n;r=c+~~(10*d/24);h=r+n;q=b+d;e?(j=2+b,f=o+b,g+=b):(f=q-o,j=q-2,g=q-g);Y(a,j,r,f,h);Y(a,g,r,f,h);j=~~(n/3);Y(a,f,r+j,f,h);f=d-o-4;h=270;e?(b+=o,e=270):(b=q-f-o,h*=-1,e=-90);sD(a,b,c+o-j,f,d-4-j-1,e,h)}
|
|
285
|
+
function MD(a,b,c){var d,e,f,g,j,h;ND(a,c);if(0==b.indexOf("$RXN")){a.Gb=!0;a.kb=!0;j=OD(b);b=new zC(b,j,!0);e=l;for(d=1;5>=d;++d)e=PD(b,j);d=QD(eC(Xn(e.substr(0,3)),10)).b;g=QD(eC(Xn(e.substr(3,3)),10)).b;PD(b,j);for(e=1;e<=d+g;++e){for(f=l;!(h=PD(b,j),null==h||G(h,"$MOL"));)f+=h+j;a.gb[++a.vb]=new RD(a,f)}fD(a,1,d,1);fD(a,d+1,d+g,3)}else{a.Gb=!1;a.$=new RD(a,b);if(!a.$||0==a.$.u)return a.lb=!0,a.K="ERROR - problems in reading/processing MOL input",cD(a),!1;null!=a.j&&a.$&&SD(a.$,a.j,!0);null!=a.k&&
|
|
286
|
+
a.$&&SD(a.$,a.k,!1);j=TD(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 UD(a,a.$,e)}a.f=1;a.$=a.gb[a.f];fD(a,1,j,0)}c&&cD(a);return!0}function Mq(a,b){a.lb=!0;a.K=b}function FD(a,b){100>b&&(!OC[b]&&(OC[b]=new DA(Vb,0,b)),!QC[b]&&qs(QC,b,new tB(OC[b])),a.n=OC[b],a.o=QC[b])}
|
|
287
|
+
function Qq(a,b){var c,d;if(0==b)return!1;bD(a);c=a.d;a.d=b;if(300>=b)switch(a.ob=!0,a.mb=!0,b){case 102:kD(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;VD(a,WD(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 dv("Cannot redo. Index is out of range.");if(!d.b.d)throw new dv(Yb);
|
|
288
|
+
d.b=d.b.d;VD(a,d.b.b);a.nb=!0;break;case 152:a.d=c;d=a.Ib;d.b<d.d-1?(++d.b,d=Vt(d,d.b)):d=null;null==d?(a.lb=!0,a.K=hc):(Mq(a,dc+(a.Ib.b+1)+ca+a.Ib.d),d=XD(d),YD(a,d,!1,!0),null!=a.tb&&BC(a.tb,null));break;case 151:a.d=c;d=a.Ib;0<d.b?(--d.b,d=Vt(d,d.b)):d=null;null==d?(a.lb=!0,a.K=hc):(Mq(a,dc+(a.Ib.b+1)+ca+a.Ib.d),d=XD(d),YD(a,d,!1,!0),null!=a.tb&&BC(a.tb,null));break;case 101:a.Mb&&ZD(a.Mb);a.Mb=new $D(1,a);a.d=c;break;case 107:!a.Eb?a.Eb=new aE(a):a.Eb.hc.d.hb?bE(a.Eb.hc.d):cE(a.Eb);break;case 114:a.c&&
|
|
289
|
+
ZD(a.c);a.c=new $D(0,a);a.d=c;break;case 103:a.nb=!0;a.qb=!0;a.d=c;break;case 105:a.nb=!0;a.r&&a.hb&&(a.hb=!1,dE(a.$),a.d=c);a.z=1;break;case 109:a.d=c;d=eE(a.$);if(2==d){a.lb=!0;a.K="Copying the agent not possible !";break}d=y(gD,s,-1,4,1);hD(a.$,d);a.nb=!0;a.$=new UC(a.$);d=L(~~((a.D.c-a.Z)/2)-d[0]);for(c=1;c<=a.$.u;++c)a.$.K[c]+=2*d;fE(a.$);a.gb[++a.vb]=a.$;a.f=a.vb;break;case 104:0<a.$.E?(a.nb=!0,gE(a.$,a.$.E),a.$.E=0,dD(a)):0<a.$.F&&(a.nb=!0,hE(a.$,a.$.F),a.$.F=0,dD(a));iE(a.$);break;case 213:a.d=
|
|
290
|
+
c;if(!a.F){var e,f,g,j;j=new jB;for(d=a.H,e=0,f=d.length;e<f;++e)c=d[e],g=new bB(c),hB(j,g),g.d=c,uz(g.e,a);sy(a,j);a.F=j}iB(a.F,a,a.G.b,a.G.c)}else{a.mb=!0;a.ob=!0;switch(b){case 301:a.e=3;break;case 401:a.e=4;break;case 501:a.e=5;break;case 701:a.e=9;break;case 801:a.e=10;break;case 901:a.e=11;break;case 1001:a.e=12;break;case 601:a.e=8;break;case 1101:a.e=7;break;case 1300:a.e=1;break;case 1201:a.p&&(ZD(a.p),a.p=null);0==a.$.E&&(a.p=new $D(2,a));a.e=18;break;case 1301:a.e=19;break;case 1302:a.e=
|
|
291
|
+
20;break;case 1303:a.e=21;break;case 1304:a.e=22}0<a.$.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,dD(a)),18==a.e&&(d=ao((Nq(),Oq).hc.b.pb,Wg),jE(a.$,a.$.E,d),dD(a)),iE(a.$))}cD(a);return!0}
|
|
292
|
+
function Iq(a){var b,c,d;d=YC(a);c=l;if(a.Gb){var e,f,g;g=ks([4,a.vb+1]);for(f=1;3>=f;++f){e=0;for(b=1;b<=a.vb;++b)eE(a.gb[b])==f&&(g[f][++e]=b);g[f][0]=e}c=c+"$RXN\n\n\nJME Molecular Editor\n"+(kE(g[1][0],3)+kE(g[3][0],3)+aa);for(b=1;b<=g[1][0];++b)c+=na+lE(a.gb[g[1][b]],d);for(b=1;b<=g[3][0];++b)c+=na+lE(a.gb[g[3][b]],d)}else 1<a.vb&&(a.$=new mE(a,a.gb,a.vb)),c=lE(a.$,d),1<a.vb&&(a.$=a.gb[a.f]);return c}
|
|
293
|
+
function nE(a,b,c,d){var e;e=c;var f=d,g,j;(g=oE(b),j=0!=(b.f&2),g||j)?(a.Gb?iB((!a.x&&(a.x=mD(a,!0)),a.x),a,e,f):iB((!a.w&&(a.w=mD(a,!1)),a.w),a,e,f),e=!0):e=!1;if(e)return!0;if(a.A)return!1;e=!0;a.lb=!1;a.Tb=c-a.Z;a.Ub=d-(2*a.Z+a.T);a.lb=!0;a.K=l;a.hb=pE(b);a.ib=!1;if(c<a.Z||d<2*a.Z+a.T){b=0;for(e=1;14>=e;++e)if(c<e*(a.Z+a.T)){b=e;break}c=0;for(e=1;e<=CD+2;++e)if(d<e*(a.Z+a.T)){c=e;break}if(0==b||0==c)return!1;d=100*c+b;if(112==d)return a.Nb=!0,a.lb=!0,a.K="Next ring will be added as spiro",cD(a),
|
|
294
|
+
!0;if(113==d)if(a.Jb)a.lb=!0,a.K="Move one atom",cD(a);else return!0;if(!a.Sb&&1201==d||!a.Db&&107==d||!a.Pb&&201==d||!a.kb&&103==d||!a.ub&&!a.r&&105==d||!a.Gb&&109==d||214==d)return!1;e=Qq(a,d)}else{if(d>a.D.b-a.Z-1)return!1;a.ib=!0;c-=a.Z;d-=2*a.Z+a.T;if(0<a.$.E)if(104==a.d)gE(a.$,a.$.E),a.$.E=0,dD(a);else{if(106==a.d)return!0;if(108==a.d)qE(a.$,a.$.E,0),dD(a);else if(157==a.d)qE(a.$,a.$.E,1),dD(a);else if(158==a.d)qE(a.$,a.$.E,-1),dD(a);else if(202==a.d||203==a.d||204==a.d||201==a.d||205==a.d)a.P=
|
|
295
|
+
1,Z(a.$,0),a.$.G=a.$.E,205==a.d?(a.$.w=1,a.$.j[1]=a.$.u,a.$.j[0]=a.$.E,a.$.F=0):dD(a);else if(206<=a.d&&229>=a.d)a.P=2,rE(a.$),dD(a);else if(230==a.d)a.P=3,dD(a);else if(233<=a.d&&262>a.d)sE(a.$,!1),dD(a),a.P=3;else if(107==a.d){if(a.Eb.c)return!0;jE(a.$,a.$.E,ao(a.Eb.f.hc.b.pb,Wg));a.$.n=!0;dD(a)}else if(105==a.d)tE(a.$),dD(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=ao((Nq(),Oq).hc.b.pb,Wg),1>d.length&&(d=Kc),jE(a.$,a.$.E,
|
|
296
|
+
d)),dD(a)}else e=!1}else if(0<a.$.E&&206<=a.d&&229>=a.d)a.P=2,rE(a.$),dD(a);else if(0<a.$.F)if(104==a.d)hE(a.$,a.$.F),a.$.F=0,dD(a);else if(106==a.d){d=a.$;c=a.$.F;if(0<d.b[d.I[c]]&&0<d.b[d.J[c]])Mq(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;gE(d,c);d.b[c]=0}a.$.F=0;dD(a)}else if(201==a.d)uE(a.$,a.$.F),dD(a);else if(202==a.d||205==a.d)1==a.$.t[a.$.F]&&0==a.$.C[a.$.F]?a.$.t[a.$.F]=2:(a.$.t[a.$.F]=1,a.$.C[a.$.F]=0),dD(a),a.$.C[a.$.F]=
|
|
297
|
+
0;else if(203==a.d)a.$.t[a.$.F]=2,a.$.C[a.$.F]=0,dD(a);else if(204==a.d)a.$.t[a.$.F]=3,a.$.C[a.$.F]=0,dD(a);else if(206<=a.d&&229>=a.d)a.P=2,rE(a.$),dD(a);else if(107==a.d){if(!a.Eb.c)return!0;d=ao(a.Eb.f.hc.b.pb,Wg);a.$.t[a.$.F]=9;a.$.f[a.$.F]=d;dD(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 lD(a);a.$=a.gb[a.vb];a.qb=!1;202<=a.d&&204>=a.d||205==a.d?(vE(a.$),a.$.v=0,a.$.A[1]=0,a.$.K[1]=c,a.$.N[1]=d,a.$.E=
|
|
298
|
+
1,a.$.G=1,a.P=1,Z(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,rE(a.$)):300<a.d?(vE(a.$),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=ao((Nq(),Oq).hc.b.pb,Wg),1>d.length&&(d=Kc),jE(a.$,1,d))):230==a.d?wE(a,null,!0):233<=a.d&&262>a.d?(vE(a.$),a.$.v=0,a.$.A[1]=0,a.$.K[1]=c,a.$.N[1]=d,a.$.E=1,sE(a.$,!0)):RB();dD(a)}else e=!1;e&&(iE(a.$),a.mb=!1,a.ob=!1,a.nb=!0,cD(a))}return e}
|
|
299
|
+
function xE(a,b,c,d){var e,f;if(a.A||!a.ib||oE(b))return!0;a.lb=!1;c-=a.Z;d-=2*a.Z;e=c-a.Tb;f=d-a.Ub;if(2==a.P||3==a.P||9==a.P)return!0;if(1==a.P){a:{b=a.$;e=c;f=d;var g,j,h,n,o,q,r;b.E=0;b.K[0]=e;b.N[0]=f;g=yE(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);q=e-b.K[n];r=f-b.N[n];n=-g/2+q*j+
|
|
300
|
+
r*h;h=r*j-q*h;if(0>n)if(1<b.w)gE(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,q=e-b.K[o],r=f-b.N[o],e=r*j-q*h,q=b.K[b.j[1]]-b.K[o],r=b.N[b.j[1]]-b.N[o],f=r*j-
|
|
301
|
+
q*h,0<e&&0>f||0>e&&0<f))e=b.v,b.E=b.j[0],Z(b,0),hE(b,e),0<yE(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){Mq(b.o,"You are too focused on chains, enough of it for now !");--b.w;break a}b.E=b.u;Z(b,O(N(Math.round(h))));b.j[b.w]=b.u;0<yE(b,b.u)&&(b.D=!0)}}b.E=0;e=b.w;Mq(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=
|
|
302
|
+
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305
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306
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308
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312
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function HE(a,b){var c,d,e;e=l;for(d=1;d<=a.vb;++d){if(0<b&&(c=eE(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=ID(c,h);c.o.N&&0<c.y[h]&&(j+=Ub,1<c.y[h]&&(j+=c.y[h]));0!=c.B[h]&&(0<c.B[h]?j+=xa:j+=Ba,1<Rj(c.B[h])&&(j+=Rj(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+IE(0.055999999999999994*c.K[h],0,2)+ba+IE(0.055999999999999994*-c.N[h],
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314
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316
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319
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|
+
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(gD,s,-1,2,1);QG(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==yE(a,a.u)||g==a.A[a.E]);++g);break;default:--a.u;Mq(a.o,"Are you trying to draw an hedgehog ?");a.o.P=9;return}a.A[a.u]=
|
|
392
|
+
1;++a.A[a.E];CE(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&&uE(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(ED((a.K[a.E]+a.K[a.u])/2)));a.O[a.v]=O(N(ED((a.N[a.E]+a.N[a.u])/2)));a.M=a.K[a.u];a.P=a.N[a.u]}
|
|
393
|
+
function sE(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)Z(a,0),a.E=a.u,a.q=!0,Z(a,0),a.q=!1,a.E=a.u-1,Z(a,0),a.E=a.u-2,Z(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-
|
|
394
|
+
2]=5,a.c[a.u-3]=7,a.t[a.v]=2),c=4;else if(244==a.o.d)Z(a,0),a.c[a.u]=4,a.E=a.u,Z(a,0),a.c[a.u]=8,a.E=a.u,a.q=!0,Z(a,0),a.q=!1,a.E=a.u-1,Z(a,0),a.c[a.u]=5,a.t[a.v]=2,a.E=a.u-2,Z(a,0),a.c[a.u]=5,a.t[a.v]=2,c=5;else if(234==a.o.d)Z(a,0),a.c[a.u]=4,a.E=a.u,a.o.zb&&qE(a,a.E,1),Z(a,0),a.c[a.u]=5,a.t[a.v]=2,a.E=a.u-1,Z(a,0),a.c[a.u]=5,a.o.zb?(a.t[a.v]=1,qE(a,a.u,-1)):a.t[a.v]=2,c=3;else if(235==a.o.d)Z(a,0),a.E=a.u,Z(a,0),a.c[a.u]=5,a.E=a.u-1,Z(a,0),a.c[a.u]=5,a.t[a.v]=2,c=3;else if(240==a.o.d)Z(a,0),a.E=
|
|
395
|
+
a.u,Z(a,0),a.c[a.u]=5,a.E=a.u,Z(a,0),a.E=a.u-2,Z(a,0),a.c[a.u]=5,a.t[a.v]=2,c=4;else if(260==a.o.d)Z(a,0),a.E=a.u,Z(a,0),a.c[a.u]=4,a.E=a.u-1,Z(a,0),a.c[a.u]=5,a.t[a.v]=2,c=3;else if(261==a.o.d)Z(a,0),a.c[a.u]=4,a.E=a.u,Z(a,0),a.E=a.u,Z(a,0),a.c[a.u]=5,a.t[a.v]=2,c=3;else if(241==a.o.d)Z(a,0),a.c[a.u]=5,a.E=a.u,Z(a,0),a.E=a.u,Z(a,0),a.E=a.u-1,Z(a,0),a.t[a.v]=2,a.c[a.u]=5,c=4;else if(243==a.o.d)Z(a,0),a.c[a.u]=4,a.E=a.u,Z(a,0),a.E=a.u-1,Z(a,0),c=3;else if(238==a.o.d)Z(a,0),a.E=a.u,a.q=!0,Z(a,0),a.t[a.v]=
|
|
396
|
+
3,a.q=!1,c=2;else if(249==a.o.d)Z(a,0),a.E=a.u,Z(a,0),a.t[a.v]=2,a.c[a.u]=5,c=2;else if(250==a.o.d)Z(a,0),a.t[a.v]=2,a.c[a.u]=5,c=1;else if(245==a.o.d)Z(a,0),a.E=a.u,a.q=!0,Z(a,0),a.E=a.u,a.t[a.v]=3,Z(a,0),a.q=!1,c=3;else if(242==a.o.d)Z(a,0),a.E=a.u,a.q=!0,Z(a,0),a.t[a.v]=3,a.c[a.u]=4,a.q=!1,c=2;else if(254==a.o.d)Z(a,0),a.c[a.u]=9,c=1;else if(255==a.o.d)Z(a,0),a.c[a.u]=10,c=1;else if(256==a.o.d)Z(a,0),a.c[a.u]=11,c=1;else if(257==a.o.d)Z(a,0),a.c[a.u]=12,c=1;else if(258==a.o.d)Z(a,0),a.c[a.u]=4,
|
|
397
|
+
c=1;else if(259==a.o.d)Z(a,0),a.c[a.u]=5,c=1;else if(246==a.o.d)Z(a,0),a.E=a.u,Z(a,0),c=2;else if(247==a.o.d)Z(a,0),a.E=a.u,Z(a,0),a.E=a.u,Z(a,0),c=3;else if(248==a.o.d)Z(a,0),a.E=a.u,Z(a,0),a.E=a.u,Z(a,0),a.E=a.u,Z(a,0),c=4;else if(253==a.o.d){var d,e,f,g,j,h,n,o,q,r,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;Z(a,0);e=a.K[a.u];g=a.N[a.u];gE(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)vE(a),a.c[a.u]=o.c[h],a.B[a.u]=o.B[h],
|
|
398
|
+
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)CE(a),a.I[a.v]=o.I[h]+d,a.J[a.v]=o.J[h]+d,a.t[a.v]=o.t[h];fE(a);a.E=c+d;Z(a,0);o=a.K[a.u];r=a.N[a.u];gE(a,a.u);f=a.K[c+d]-o;j=a.N[c+d]-r;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]-=r,q=a.K[h]*f+a.N[h]*j,u=a.N[h]*f-a.K[h]*j,a.K[h]=q,a.N[h]=u,q=-a.K[h]*e+a.N[h]*g,u=-a.N[h]*e-a.K[h]*g,a.K[h]=q,a.N[h]=u,a.K[h]+=a.K[n],a.N[h]+=a.N[n];CE(a);a.I[a.v]=n;a.J[a.v]=c+d;fE(a);b&&(gE(a,n),iD(a))}c=4}RG(a,c);a.E=a.G;b&&
|
|
399
|
+
(a.E=0)}
|
|
400
|
+
function QG(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]+
|
|
401
|
+
c*g/h,d[1]=a.N[b]+c*j/h)}
|
|
402
|
+
function rE(a){var b,c,d,e,f,g,j,h,n,o,q,r,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])SG(a,j,f,h);else if(!a.o.hb&&!a.o.Nb)n=a.E,Z(a,0),a.E=a.u,SG(a,j,f,h);else{a.o.Nb=!1;if(209==a.o.d||221==a.o.d||223==a.o.d){Mq(a.o,"ERROR - cannot add aromatic spiro ring !");a.o.P=9;
|
|
403
|
+
return}for(d=1;d<=a.A[a.E];++d)if(b=a.t[PG(a,a.E,a.H[a.E][d])],2<d||1!=b){Mq(a.o,"ERROR - spiro ring not possible here !");a.o.P=9;return}b=y(gD,s,-1,2,1);QG(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)vE(a),q=f*d+1.5707963267948966,a.K[a.u]=b[0]+h*(Math.sin(q)*e-Math.cos(q)*g),a.N[a.u]=b[1]+h*(Math.cos(q)*e+Math.sin(q)*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]!=
|
|
404
|
+
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;q=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);r=a.K[b]+q*e-u*g;u=a.N[b]+u*e+q*g;for(d=1;d<=j;++d)vE(a),q=f*(d+0.5)+3.141592653589793*o,a.K[a.u]=r+h*(Math.sin(q)*e-Math.cos(q)*g),a.N[a.u]=u+h*(Math.cos(q)*e+Math.sin(q)*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]=
|
|
405
|
+
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)vE(a),q=f*(d-b),a.K[a.u]=a.M+h*Math.sin(q),a.N[a.u]=a.P+h*Math.cos(q)}b=j;h=0;for(f=1;f<=b;++f)CE(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]]&&
|
|
406
|
+
(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[PG(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],
|
|
407
|
+
1<a.t[PG(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(I,m,-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(ED((a.K[b]+a.K[e])/2))),a.O[c]=O(N(ED((a.N[b]+a.N[e])/
|
|
408
|
+
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;CE(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(ED((a.K[a.I[a.v]]+a.K[a.J[a.v]])/
|
|
409
|
+
2)));a.O[a.v]=O(N(ED((a.N[a.I[a.v]]+a.N[a.J[a.v]])/2)))}else 0<h[b]?(CE(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(ED((a.K[a.I[a.v]]+a.K[a.J[a.v]])/2))),a.O[a.v]=O(N(ED((a.N[a.I[a.v]]+a.N[a.J[a.v]])/2)))):0<h[e]&&(CE(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(ED((a.K[a.I[a.v]]+a.K[a.J[a.v]])/2))),a.O[a.v]=O(N(ED((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<
|
|
410
|
+
h[f]&&(gE(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&&RG(a,j);-1<n&&(a.E=n)}
|
|
411
|
+
function SG(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)vE(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 RG(a,b){var c,d;0==b&&(b=a.u);for(c=a.u;c>a.u-b;--c)d=yE(a,c),0!=d&&(a.K[c]+=6,a.N[c]+=6)}
|
|
412
|
+
function PG(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 TG(a,b,c){var d,e,f,g;e=fh;for(f=g=0;;){++g;for(d=1;d<=a.u;++d)if(nt(c[d])){e=c[d];break}for(d=1;d<=a.u;++d)nt(c[d])&&!Ps(c[d],e)&&(e=c[d]);for(d=1;d<=a.u;++d)Vs(c[d],e)&&(b[d]=g,c[d]=fh,++f);if(f==a.u)break}return g==a.u}
|
|
413
|
+
function iD(a){var b,c,d;b=y(gD,s,-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{hD(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;jD(a)}}
|
|
414
|
+
function hD(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)}
|
|
415
|
+
function qE(a,b,c){var d;if(1==c)++a.B[b];else if(-1==c)--a.B[b];else switch(d=UG(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&&Mq(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?Mq(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?Mq(a.o,"Charge change not possible on multibonded N or P !"):
|
|
416
|
+
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?Mq(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:Mq(a.o,"Charge change not possible on the halogen !");break;case 18:Mq(a.o,
|
|
417
|
+
"Use X button to change charge on the X atom !")}}
|
|
418
|
+
function TD(a,b){var c,d,e,f,g;f=0;g=!1;for(a.b=y(I,m,-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(I,m,-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&&gE(a,c);iD(a);Mq(a.o,"Smaller part(s) removed !");return 1}
|
|
419
|
+
function yE(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}
|
|
420
|
+
function DE(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];iE(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),iE(a));4==a.t[d]&&(a.t[d]=1)}}
|
|
421
|
+
function OG(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 fE(a){var b;VG(a);b=a.t.length;a.L=y(I,m,-1,b,1);a.O=y(I,m,-1,b,1);jD(a);iE(a)}
|
|
422
|
+
function vE(a){var b,c;++a.u;a.u>a.c.length-1&&(c=a.c.length+10,b=y(I,m,-1,c,1),iG(a.c,b,a.c.length),a.c=b,b=y(I,m,-1,c,1),iG(a.B,b,a.B.length),a.B=b,b=y(I,m,-1,c,1),iG(a.y,b,a.y.length),a.y=b,b=y(I,m,-1,c,1),iG(a.e,b,a.e.length),a.e=b,b=y(vs,s,1,c,0),iG(a.d,b,a.d.length),a.d=b,b=y(vs,s,1,c,0),iG(a.p,b,a.p.length),a.p=b,b=y(gD,s,-1,c,1),iG(a.K,b,a.K.length),a.K=b,b=y(gD,s,-1,c,1),iG(a.N,b,a.N.length),a.N=b,b=ks([c,7]),iG(a.H,b,a.H.length),a.H=b,c=y(I,m,-1,c,1),iG(a.A,c,a.A.length),a.A=c);a.c[a.u]=
|
|
423
|
+
3;a.B[a.u]=0;a.e[a.u]=0;a.d[a.u]=null;a.y[a.u]=0}function JD(a,b,c,d,e,f,g){var j;j=O(N(ED(a.K[c]-d/2)));g||(j-=e-d);a=O(N(ED(a.N[c]-~~(f/2))));return new bz(j-1-b,a-b,e+1+2*b,f+2*b)}
|
|
424
|
+
function CE(a){var b,c;++a.v;a.v>a.t.length-1&&(b=a.t.length+10,c=y(I,m,-1,b,1),iG(a.I,c,a.I.length),a.I=c,c=y(I,m,-1,b,1),iG(a.J,c,a.J.length),a.J=c,c=y(I,m,-1,b,1),iG(a.t,c,a.t.length),a.t=c,c=y(I,m,-1,b,1),iG(a.C,c,a.C.length),a.C=c,c=y(I,m,-1,b,1),iG(a.L,c,a.L.length),a.L=c,c=y(I,m,-1,b,1),iG(a.O,c,a.O.length),a.O=c,b=y(vs,s,1,b,0),iG(a.f,b,a.f.length),a.f=b);a.t[a.v]=1;a.C[a.v]=0;a.f[a.v]=null}
|
|
425
|
+
function lE(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+=(FC(),aa);j+="JME 2013-10-12 "+new wG+"\n \n";j+=kE(a.u,3)+kE(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+=IE(0.055999999999999994*(a.K[e]-c),10,4)+IE(0.055999999999999994*(g-a.N[e]),10,4)+IE(0,10,4);h=ID(a,e);1==h.length?h+=" ":2==h.length?h+=ba:3<h.length&&(h="Q ");
|
|
426
|
+
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"+kE(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+=kE(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:WG(a,e)&&(g=2),c=kE(a.I[e],3)+kE(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=kE(a.J[e],3)+kE(a.I[e],3)),1==a.t[e]&&4==a.C[e]&&(d=6,c=kE(a.J[e],3)+kE(a.I[e],3)),j+=c+kE(g,3)+kE(d,3)+" 0 0 0\n";
|
|
427
|
+
for(e=1;e<=a.u;++e)0!=a.B[e]&&(j+="M CHG 1"+kE(e,4)+kE(a.B[e],4)+aa);return j+"M END\n"}
|
|
428
|
+
function KE(a){var b,c,d,e,f,g,j,h,n,o,q,r,u,v,D,E,J,R,ub,W,M,da,Hc,ag,Ab,Md,Nd,Od,Wa,Ic;q=y(I,m,-1,a.u+10,1);r=y(I,m,-1,a.u+10,1);n=y(I,m,-1,a.u+1,1);o=y(I,m,-1,7,1);Ab=y(I,m,-1,a.u+1,1);v=y(XG,s,-1,a.u+1,2);D=y(XG,s,-1,a.v+1,2);da=0;if(0==a.u)return l;TD(a,!0);ag=!0;for(h=1;h<=a.v;++h)if(9==a.t[h]){ag=!1;break}if(a.o.t&&ag){YG(a);DE(a);ZG(a,D);$G(a,v,D);var Ib,td,ef,cc,xe,ud,vd,gb,gI,Ud,w,ya,Dm,Em,Ys,lf,Oa,Fm,Gm,Lc,Hm;Ib=y(I,m,-1,a.u+1,1);td=y(I,m,-1,a.u+1,1);gb=y(aH,s,-1,a.u+1,3);var Zs=a.u,Im,
|
|
429
|
+
qh,$s,mg,yj,Ee,mf;yj=y(aH,s,-1,Zs+2,3);Ee=y(I,m,-1,100,1);mf=5;mg=0;Ee[0]=3;yj[1]=hh;yj[2]=ih;$s=2;if(!(3>Zs))for(;mf<Ee[mg]*Ee[mg];){qh=0;for(Im=!0;Im&&qh<=mg&&mf>=Ee[qh]*Ee[qh];)0==mf%Ee[qh]?Im=!1:++qh;if(Im){yj[++$s]=kt(mf);if($s>=Zs)break;mg<Ee.length-1&&(++mg,Ee[mg]=mf)}mf+=2}for(w=1;w<=a.u;++w){for(ya=Gm=1;ya<=a.v;++ya)(a.I[ya]==w||a.J[ya]==w)&&(Gm*=a.i[ya]);Fm=a.c[w];18==Fm&&(Hm=a.p[w],ud=Hm.charCodeAt(0)-65+1,vd=0,1<Hm.length&&(vd=Hm.charCodeAt(1)-97),0>ud&&(ud=0),0>vd&&(vd=0),Fm=28*ud+vd);
|
|
430
|
+
lf=0;-2>a.B[w]?lf=1:-2==a.B[w]?lf=2:-1==a.B[w]?lf=3:1==a.B[w]?lf=4:2==a.B[w]?lf=5:2<a.B[w]&&(lf=6);Lc=1;gb[w]=kt(Gm);Lc*=126;gb[w]=Ts(gb[w],kt(a.y[w]*Lc));Lc*=7;gb[w]=Ts(gb[w],kt(lf*Lc));Lc*=7;gb[w]=Ts(gb[w],kt(Fm*Lc));Lc*=783;gb[w]=Ts(gb[w],kt(a.A[w]*Lc))}for(xe=0;!TG(a,Ib,gb);){Ys=!1;for(w=1;w<=a.u;++w)Ib[w]!=td[w]&&(td[w]=Ib[w],Ys=!0);if(Ys){for(w=1;w<=a.u;++w){gb[w]=gh;for(ya=1;ya<=a.A[w];++ya)gb[w]=ot(gb[w],yj[Ib[a.H[w][ya]]])}xe=0}else if(0<xe){for(w=1;w<=a.u;++w)gb[w]=gh;w=1;a:for(;w<=a.u-
|
|
431
|
+
1;++w)for(ya=w+1;ya<=a.u;++ya)if(Ib[w]==Ib[ya]){gb[w]=hh;break a}}else{for(w=1;w<=a.u;++w){gb[w]=gh;for(ya=1;ya<=a.A[w];++ya)ef=a.H[w][ya],gb[w]=ot(gb[w],kt(a.c[ef]*a.i[PG(a,w,ef)]))}xe=1}TG(a,Ib,gb);for(w=1;w<=a.u;++w)gb[w]=kt(td[w]*a.u+Ib[w])}for(w=1;w<=a.u;++w)td[w]=Ib[w];for(Oa=1;Oa<=a.u;++Oa)for(w=1;w<=a.u;++w)if(td[w]==Oa){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[Oa];a.B[w]=a.B[Oa];a.K[w]=a.K[Oa];a.N[w]=a.N[Oa];a.A[w]=a.A[Oa];a.c[Oa]=a.c[0];a.B[Oa]=a.B[0];
|
|
432
|
+
a.K[Oa]=a.K[0];a.N[Oa]=a.N[0];a.A[Oa]=a.A[0];td[w]=td[Oa];td[Oa]=Oa;a.p[0]=a.p[w];a.p[w]=a.p[Oa];a.p[Oa]=a.p[0];a.e[0]=a.e[w];a.e[w]=a.e[Oa];a.e[Oa]=a.e[0];a.d[0]=a.d[w];a.d[w]=a.d[Oa];a.d[Oa]=a.d[0];a.y[0]=a.y[w];a.y[w]=a.y[Oa];a.y[Oa]=a.y[0];break}for(w=1;w<=a.z;++w)a.r[w][0]=Ib[a.r[w][0]];for(w=1;w<=a.v;++w)a.I[w]=Ib[a.I[w]],a.J[w]=Ib[a.J[w]],a.I[w]>a.J[w]&&(Ud=a.I[w],a.I[w]=a.J[w],a.J[w]=Ud,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){Em=Dm=
|
|
433
|
+
a.u;cc=0;for(ya=w;ya<=a.v;++ya)a.I[ya]<Dm?(Dm=a.I[ya],Em=a.J[ya],cc=ya):a.I[ya]==Dm&&a.J[ya]<Em&&(Em=a.J[ya],cc=ya);Ud=a.I[w];a.I[w]=a.I[cc];a.I[cc]=Ud;Ud=a.J[w];a.J[w]=a.J[cc];a.J[cc]=Ud;Ud=a.t[w];a.t[w]=a.t[cc];a.t[cc]=Ud;Ud=a.C[w];a.C[w]=a.C[cc];a.C[cc]=Ud;gI=a.f[w];a.f[w]=a.f[cc];a.f[cc]=gI}fE(a);iE(a);ZG(a,D);$G(a,v,D)}else{ZG(a,D);a.i=y(I,m,-1,a.v+1,1);for(u=1;u<=a.v;++u)a.i[u]=a.t[u]}c=1;a.b=y(I,m,-1,a.u+1,1);Ic=1;a.b[1]=1;for(W=0;;){M=0;for(u=1;u<=a.A[c];++u)if(g=a.H[c][u],0<a.b[g]){if(!(a.b[g]>
|
|
434
|
+
a.b[c])&&g!=Ab[c]){Hc=!0;for(J=1;J<=da;++J)if(q[J]==c&&r[J]==g||q[J]==g&&r[J]==c){Hc=!1;break}Hc&&(++da,q[da]=c,r[da]=g)}}else o[++M]=g;if(0==M){if(Ic==a.u)break;c=n[W--]}else if(1==M)Ab[o[1]]=c,c=o[1],a.b[c]=++Ic;else{n[++W]=c;e=0;for(u=1;u<=M;++u)if(h=PG(a,o[u],c),!D[h]){e=o[u];break}if(0==e)for(u=1;u<=M;++u)if(h=PG(a,o[u],c),2==a.i[h]||3==a.i[h]){e=o[u];break}0==e&&(e=o[1]);Ab[e]=c;c=e;a.b[e]=++Ic}}Ab=y(I,m,-1,a.u+1,1);b=y(I,m,-1,a.u+1,1);R=y(XG,s,-1,a.u+1,2);Md=y(XG,s,-1,a.u+1,2);f=Ic=W=0;for(u=
|
|
435
|
+
1;u<=a.u;++u)if(1==a.b[u]){c=u;break}a:for(;;){0<f&&(Ab[c]=f);b[++Ic]=c;for(a.b[c]=0;;){M=e=0;ub=a.u+1;u=1;b:for(;u<=a.A[c];++u){g=a.H[c][u];for(E=1;E<=da;++E)if(q[E]==g&&r[E]==c||q[E]==c&&r[E]==g)continue b;0<a.b[g]&&(++M,a.b[g]<ub&&(e=g,ub=a.b[g]))}if(0==e){if(0==W)break a;Md[c]=!0;c=n[W--]}else break}f=c;c=e;1<M&&(n[++W]=f,R[e]=!0)}Nd=y(I,m,-1,a.v+1,1);Od=y(I,m,-1,a.u+1,1);if(a.o.Pb){var iI=Ab,tM=da,at,jI,rh,Fe,bt,ct,Ma,zj,dt;rh=y(I,m,-1,a.u+1,1);for(Ma=1;Ma<=a.u;++Ma)rh[b[Ma]]=Ma;bt=y(XG,s,-1,
|
|
436
|
+
a.v+1,2);for(Ma=1;Ma<=a.u;++Ma)at=b[Ma],jI=iI[at],Fe=PG(a,at,jI),0!=Fe&&(bH(a,Fe,rh,Nd,D),bt[Fe]=!0);for(Ma=1;Ma<=a.v;++Ma)bt[Ma]||bH(a,Ma,rh,Nd,D);Ma=1;a:for(;Ma<=a.u;++Ma)if(!(2>a.A[Ma]||4<a.A[Ma])){ct=dt=0;for(zj=1;zj<=a.A[Ma];++zj){Fe=PG(a,Ma,a.H[Ma][zj]);if(5==a.i[Fe])continue a;1==a.t[Fe]&&0!=cH(a,Fe,Ma)&&++dt;2==a.t[Fe]&&(ct=a.H[Ma][zj])}if(0!=dt)if(0<ct){var ja=a,lI=Ma,nf=rh,Xc=Od,sc=void 0,Aj=void 0,Mc=void 0,Ge=void 0,Nc=void 0,Jm=void 0,Km=void 0,Lm=void 0,Vd=void 0,Yc=void 0,Zc=void 0,
|
|
437
|
+
et=void 0,Bj=void 0,Wd=void 0,Cj=void 0,He=void 0,Dj=void 0,ft=void 0,Ej=void 0,Ie=void 0,mI=void 0,of=void 0,nI=void 0,gt=void 0,Fj=void 0,pf=void 0,Zc=1,Aj=lI,sc=y(I,m,-1,ja.u+1,1);for(sc[1]=lI;;){et=!1;for(Yc=1;Yc<=ja.A[Aj];++Yc)if(Mc=ja.H[Aj][Yc],!(Mc==sc[1]||Mc==sc[Zc-1]))if(Ge=PG(ja,Aj,Mc),2==ja.t[Ge]&&5!=ja.i[Ge]){Aj=sc[++Zc]=Mc;et=!0;break}if(!et)break}if(!(0==Zc%2||2>ja.A[sc[Zc]]||3<ja.A[sc[Zc]])){pf=sc[1];Nc=sc[~~((Zc+1)/2)];Vd=sc[Zc];of=Ie=He=Wd=0;gt=ft=!1;for(Yc=1;Yc<=ja.A[pf];++Yc)Mc=
|
|
438
|
+
ja.H[pf][Yc],Ge=PG(ja,pf,Mc),1!=ja.t[Ge]||5==ja.i[Ge]||(0==Wd?Wd=Mc:He=Mc);0<nf[He]&&nf[Wd]>nf[He]&&(Jm=Wd,Wd=He,He=Jm);Bj=Wd;0==Wd&&(Bj=He,ft=!0);for(Yc=1;Yc<=ja.A[Vd];++Yc)Mc=ja.H[Vd][Yc],Ge=PG(ja,Vd,Mc),1!=ja.t[Ge]||5==ja.i[Ge]||(0==Ie?Ie=Mc:of=Mc);0<nf[of]&&nf[Ie]>nf[of]&&(Jm=Ie,Ie=of,of=Jm);Ej=Ie;0==Ie&&(Ej=of,gt=!0);Cj=cH(ja,PG(ja,pf,Wd),pf);Dj=cH(ja,PG(ja,pf,He),pf);mI=cH(ja,PG(ja,Vd,Ie),Vd);nI=cH(ja,PG(ja,Vd,of),Vd);1<(0>Cj+Dj?-(Cj+Dj):Cj+Dj)||0!=mI||0!=nI?Mq(ja.o,"Bad stereoinfo on allene !"):
|
|
439
|
+
(Km=ja.K[sc[Zc-1]]-ja.K[Vd],Lm=ja.N[sc[Zc-1]]-ja.N[Vd],Fj=Math.sqrt(Km*Km+Lm*Lm),0.001>Fj&&(Fj=0.001),0<(ja.N[Ej]-ja.N[sc[Zc-1]])*(Km/Fj)-(ja.K[Ej]-ja.K[sc[Zc-1]])*(Lm/Fj)?Xc[Nc]=1:Xc[Nc]=-1,ft&&(Xc[Nc]*=-1),gt&&(Xc[Nc]*=-1),Bj==Wd&&0>Cj&&(Xc[Nc]*=-1),Bj==He&&0>Dj&&(Xc[Nc]*=-1),nf[Bj]>nf[Ej]&&(Xc[Nc]*=-1))}}else b:{var wb=a,Za=Ma,ht=iI,oI=rh,pI=q,qI=r,uM=tM,Mm=Od,Nm=void 0,$c=void 0,it=void 0,sh=void 0,Ca=void 0,th=void 0,xd=void 0,Gj=void 0,Xd=void 0,Qb=void 0,ga=void 0,fa=void 0,Je=void 0,Om=void 0,
|
|
440
|
+
ad=void 0,K=void 0,Pm=void 0,fa=y(I,m,-1,4,1),Om=y(I,m,-1,4,1),Hj=void 0,bd=void 0,Qm=void 0,Rm=void 0,jt=void 0,Ij=void 0,Ij=-1;0<ht[Za]&&(fa[++Ij]=ht[Za]);for(bd=1;bd<=uM;++bd)pI[bd]==Za&&(fa[++Ij]=qI[bd]),qI[bd]==Za&&(fa[++Ij]=pI[bd]);for(bd=Ij+1;bd<wb.A[Za];++bd){jt=wb.u+1;Qm=1;c:for(;Qm<=wb.A[Za];++Qm){Hj=wb.H[Za][Qm];for(Rm=0;Rm<bd;++Rm)if(Hj==fa[Rm])continue c;oI[Hj]<jt&&(jt=oI[Hj],fa[bd]=Hj)}}0==ht[Za]&&0<wb.y[Za]?(fa[3]=fa[2],fa[2]=fa[1],fa[1]=fa[0],fa[0]=-1):0<wb.y[Za]&&(fa[3]=fa[2],fa[2]=
|
|
441
|
+
fa[1],fa[1]=-1);for(Ca=Gj=th=sh=Pm=xd=Qb=0;4>Ca;++Ca)0>=fa[Ca]||(Nm=PG(wb,Za,fa[Ca]),Om[Ca]=cH(wb,Nm,Za),0<Om[Ca]?(++Qb,Pm=fa[Ca],th=fa[Ca]):0>Om[Ca]?(++xd,sh=fa[Ca],th=fa[Ca]):Gj=fa[Ca]);Xd=Qb+xd;K=y(I,m,-1,4,1);ad=0;if(3==wb.A[Za]){if(1==Qb&&1==xd||3==Xd&&0<Qb&&0<xd){Mq(wb.o,"Error in C3H stereospecification !");break b}Je=fa[0];1==Xd?Je=th:2==Xd&&(Je=Gj);ga=NG(wb,Za,Je,fa);K[0]=th;K[1]=-1;K[2]=ga[2];K[3]=ga[1];0<Qb?ad=1:ad=-1}else if(4==wb.A[Za])if(1==Xd)ga=NG(wb,Za,th,fa),K[0]=ga[0],K[1]=ga[3],
|
|
442
|
+
K[2]=ga[2],K[3]=ga[1],0<Qb?ad=1:ad=-1;else{Je=fa[0];1<Gj&&(Je=Gj);1==Qb?Je=Pm:1==xd&&(Je=sh);ga=NG(wb,Za,Je,fa);$c=y(I,m,-1,4,1);for(Ca=0;4>Ca;++Ca)Nm=PG(wb,Za,ga[Ca]),$c[Ca]=cH(wb,Nm,Za);if(4==Xd){if(0==Qb||0==xd){Mq(wb.o,"Error in C4 stereospecification !");break b}if(1==Qb||1==xd)K[0]=ga[0],K[1]=ga[3],K[2]=ga[2],K[3]=ga[1],ad=$c[0];else{for(Ca=0;4>Ca;++Ca)-1==$c[Ca]&&($c[Ca]=0);Xd=2}}else if(3==Xd)if(3==Qb||3==xd)K[0]=ga[0],K[1]=ga[3],K[2]=ga[2],K[3]=ga[1],0<Qb?ad=-1:ad=1;else{1==Qb?Qb=it=1:xd=
|
|
443
|
+
it=-1;for(Ca=0;4>Ca;++Ca)$c[Ca]==it&&($c[Ca]=0);Xd=2}if(2==Xd)if(1==Qb&&1==xd)ga[1]==sh?(ga[1]=ga[2],ga[2]=ga[3]):ga[2]==sh&&(ga[2]=ga[3]),K[0]=Pm,K[1]=sh,K[2]=ga[2],K[3]=ga[1],ad=1;else{if($c[0]==$c[1]||$c[1]==$c[2]){Mq(wb.o,"Error in C4 stereospecification ! 2/0r");break b}0!=$c[0]?(K[0]=ga[0],K[1]=ga[2],K[2]=ga[1],K[3]=ga[3]):(K[0]=ga[1],K[1]=ga[3],K[2]=ga[2],K[3]=ga[0]);1<Qb?ad=1:ad=-1}}var qb=void 0;fa[0]==K[1]?(qb=K[0],K[0]=K[1],K[1]=qb,qb=K[2],K[2]=K[3],K[3]=qb):fa[0]==K[2]?(qb=K[2],K[2]=K[0],
|
|
444
|
+
K[0]=qb,qb=K[1],K[1]=K[3],K[3]=qb):fa[0]==K[3]&&(qb=K[3],K[3]=K[0],K[0]=qb,qb=K[1],K[1]=K[2],K[2]=qb);fa[1]==K[2]?(qb=K[1],K[1]=K[2],K[2]=qb,qb=K[2],K[2]=K[3],K[3]=qb):fa[1]==K[3]&&(qb=K[1],K[1]=K[3],K[3]=qb,qb=K[2],K[2]=K[3],K[3]=qb);K[2]==fa[2]?Mm[Za]=1:K[2]==fa[3]?Mm[Za]=-1:Mq(wb.o,"Error in stereoprocessing ! - t30");Mm[Za]*=ad}}}Wa=new hG;j=y(I,m,-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];R[c]&&(Wa.b.b+=ua);0<Ab[u]&&dH(a,c,Ab[c],Wa,Nd);var uh=v[c],Kb=void 0,Jj=void 0,
|
|
445
|
+
vh=void 0,U=void 0,U=Kc,Kb=!1;0!=a.B[c]&&(Kb=!0);0!=Od[c]&&(Kb=!0);vh=-1;for(Jj=1;Jj<=a.z;++Jj)if(a.r[Jj][0]==c){vh=a.r[Jj][1];break}-1<vh&&(Kb=!0);a.o.Ob&&0<a.e[c]&&(Kb=!0,vh=1);switch(a.c[c]){case 2:U=Bb;break;case 3:uh?U="c":U=Eb;break;case 4:uh?(U=Af,0<a.y[c]&&(Kb=!0)):U=ec;break;case 5:uh?U="o":U=lc;break;case 7:uh?(U="p",0<a.y[c]&&(Kb=!0)):U=nc;break;case 8:uh?U=ng:U=zc;break;case 13:uh?U=qg:U=Bc;Kb=!0;break;case 6:U=Cc;Kb=!0;break;case 9:U=Pb;break;case 10:U=Jb;break;case 11:U=Db;break;case 12:U=
|
|
446
|
+
Wb;break;case 1:U=Ub;Kb=!0;break;case 19:U=oc;Kb=!0;break;case 20:U=pc;Kb=!0;break;case 21:U=qc;Kb=!0;break;case 22:U=rc;Kb=!0;break;case 18:Kb=!0,U=a.p[c],(G(U,wa)||G(U,Uc)||G(U,vb))&&(Kb=!1)}Kb&&(U=Oc+U,1==Od[c]?U+=tb:-1==Od[c]&&(U+="@@"),1==a.y[c]?U+=Ub:1<a.y[c]&&(U+=Ub+a.y[c]),0!=a.B[c]&&(0<a.B[c]?U+=xa:U+=Ba,1<Rj(a.B[c])&&(U+=Rj(a.B[c]))),-1<vh&&(U+=lb+vh),U+=Rc);on(Wa.b,U);for(E=1;E<=da;++E)if(q[E]==c||r[E]==c)d=r[E],d==c&&(d=q[E]),j[c]<j[d]&&dH(a,q[E],r[E],Wa,Nd),9<E&&(Wa.b.b+="%"),nn(Wa,l+
|
|
447
|
+
(new T(E)).b);Md[c]&&(Wa.b.b+=va)}return Wa.b.b}function JE(a){a=new UC(a);fE(a);return a}
|
|
448
|
+
function gE(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)kD(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],
|
|
449
|
+
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]}}
|
|
450
|
+
function hE(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]&&gE(a,c);0==a.A[d]&&gE(a,d)}
|
|
451
|
+
function YG(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=PG(a,c,d);1==a.t[b]&&(0==a.C[b]||!a.o.Pb)&&gE(a,c)}}}function VG(a){var b;b=a.c.length;a.H=ks([b,7]);a.A=y(I,m,-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])}
|
|
452
|
+
function $G(a,b,c){var d,e,f,g,j,h,n,o,q;a.i=y(I,m,-1,a.v+1,1);q=y(XG,s,-1,a.u+1,2);for(h=1;h<=a.u;++h){q[h]=!1;b[h]=!1;a:{d=void 0;for(d=1;d<=a.A[h];++d)if(c[PG(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:q[h]=!0;break;case 18:0==a.p[h].indexOf(vb)?q[h]=!1:q[h]=!0}}if(a.n){var r;d=y(XG,s,-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=
|
|
453
|
+
a.I[h];g=a.J[h];e=y(XG,s,-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(r=!1;;){for(n=1;n<=a.u;++n){r=!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]&&(r=e[j]=!0)}if(r)break}if(!r)break}}}}for(j=1;j<=a.v;++j)1==a.t[j]?a.i[j]=1:WG(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],
|
|
454
|
+
g=a.J[j],q[f]&&q[g])){d=y(XG,s,-1,a.u+1,2);for(h=1;h<=a.A[f];++h)e=a.H[f][h],e!=g&&q[e]&&(d[e]=!0);for(o=!1;;){for(h=1;h<=a.u;++h){o=!1;if(d[h]&&q[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]&&q[e]&&(o=d[e]=!0)}if(o)break}if(!o)break}}}function jD(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(ED((a.K[b]+a.K[c])/2))),a.O[d]=O(N(ED((a.N[b]+a.N[c])/2)))}function ZG(a,b){var c;for(c=1;c<=a.v;++c)KD(a,a.I[c],a.J[c])?b[c]=!1:b[c]=!0}
|
|
455
|
+
function ID(a,b){var c;c=(FC(),LC)[a.c[b]];18==a.c[b]&&(c=a.p[b]);return c}function WG(a,b){return 2==a.t[b]?!0:!1}function KD(a,b,c){var d,e,f,g;g=1;a.b=y(I,m,-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]}
|
|
456
|
+
function tE(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=ks([b+5,2]),iG(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 dE(a){var b;a.z=0;a.s=0;KE(a);for(b=1;b<=a.u;++b)a.E=b,tE(a);a.E=0}
|
|
457
|
+
function eE(a){var b,c;b=y(gD,s,-1,4,1);hD(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 aD(a,b){var c,d,e,f,g,j,h,n;c=y(gD,s,-1,4,1);hD(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;hD(a,c);for(g=1;g<=a.u;++g)a.K[g]+=d-c[0],a.N[g]+=e-c[1]}
|
|
458
|
+
function GE(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}
|
|
459
|
+
function jE(a,b,c){var d,e,f,g,j;if(0==c.indexOf(Oc)&&bG(c,Rc))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(za)&&(f=!0);-1<c.indexOf(nb)&&(f=!0);-1<c.indexOf(ma)&&(f=!0);-1<c.indexOf("!")&&(f=!0);d=c.indexOf(lb);e=c.indexOf(Ub);g=Qj(c.indexOf(xa),c.indexOf(Ba));if(-1<d){j=Yn(c,d+1);try{a.o.z=eC(j,10)}catch(h){if(h=Li(h),A(h,123))a.o.z=0;else throw h;}a.E=b;tE(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,
|
|
460
|
+
g-0));a.c[b]=G(d,Eb)?3:G(d,Bb)?2:G(d,ec)?4:G(d,lc)?5:G(d,nc)?7:G(d,zc)?8:G(d,Pb)?9:G(d,Jb)?10:G(d,Db)?11:G(d,Wb)?12:G(d,Ub)?1:G(d,Bc)?13:G(d,Cc)?6:G(d,oc)?19:G(d,pc)?20:G(d,qc)?21:G(d,rc)?22:18;18==a.c[b]&&(a.p[b]=d);c+=ba;d=0;0<e&&(d=1,e=aG(c,++e),48<=e&&57>=e&&(d=e-48));18==a.c[b]&&(a.y[b]=d);d=0;if(0<g&&(e=aG(c,g++),43==e?d=1:45==e&&(d=-1),0!=d&&(e=aG(c,g++),!(48<=e&&57>=e)))){for(;43==e;)++d,e=aG(c,g++);for(;45==e;)--d,e=aG(c,g++)}a.B[b]=d}}}
|
|
461
|
+
function SD(a,b,c){var d,e;a.k=1;c&&(a.k=-1);b=new AC(b);try{for(;b.k=tC(b,b.b),b.k<b.j;)d=QD(eC(wC(b),10)).b,c=e=QD(eC(wC(b),10)).b,(0>c||6<c)&&(c=0),a.e[d]=c}catch(f){if(f=Li(f),A(f,123))ln(f);else throw f;}}function dH(a,b,c,d,e){b=PG(a,b,c);5!=a.i[b]&&WG(a,b)?d.b.b+=pb:3==a.t[b]?d.b.b+=ma:9==a.t[b]?(e=sb,a=a.f[b],null!=a&&(e=a),on(d.b,e)):1==e[b]?d.b.b+=Ya:-1==e[b]&&(d.b.b+=Qc)}
|
|
462
|
+
function uE(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,Mq(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:Mq(a.o,"Stereomarking allowed only on single and double bonds!")}
|
|
463
|
+
function bH(a,b,c,d,e){var f,g,j,h,n,o,q,r,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);q=o=b=0;r=!1;for(n=1;n<=a.A[e];++n)g=a.H[e][n],g!=f&&(0==o?o=g:q=g);0<q&&c[o]>c[q]&&(g=o,o=q,q=g);h=PG(a,e,o);0!=d[h]?b=o:1==a.t[h]&&5!=a.i[h]&&(b=o);0==b&&(h=PG(a,e,q),0!=d[h]?b=q:1==a.t[h]&&5!=a.i[h]&&(b=q));c[b]>c[e]&&(r=!0);j=q=o=0;for(n=1;n<=a.A[f];++n)g=a.H[f][n],g!=e&&(0==q?q=g:j=g);0<j&&c[q]<c[j]&&(g=q,
|
|
464
|
+
q=j,j=g);h=PG(a,f,q);1==a.t[h]&&5!=a.i[h]&&0==d[h]&&(o=q);0==o&&(h=PG(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,q=(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>=q?0-q:q)||2>(0>=u?0-u:u))Mq(a.o,"Not unique E/Z geometry !");else{j=PG(a,b,e);f=PG(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=PG(a,b,g),0!=d[h])){c[g]>c[b]?o=-d[h]:o=d[h];break}d[j]=o}0==
|
|
465
|
+
d[f]&&(0<q&&0<u||0>q&&0>u?d[f]=-d[j]:d[f]=d[j],r&&(d[f]=-d[f]))}}}function UG(a,b){var c,d,e;e=0;for(d=1;d<=a.A[b];++d)if(c=PG(a,b,a.H[b][d]),1==a.t[c])e+=1;else if(WG(a,c))e+=2;else if(3==a.t[c])e+=3;else if(9==a.t[c])return-1;return e}function cH(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}
|
|
466
|
+
function iE(a){var b;for(b=1;b<=a.u;++b){var c=a,d=b,e=void 0,e=UG(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]=
|
|
467
|
+
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]=
|
|
468
|
+
0}0>c.y[d]&&(c.y[d]=0)}}}function lD(a){MG(this);this.o=a;this.z=this.v=this.u=0}
|
|
469
|
+
function RD(a,b){var c,d,e,f,g,j,h;lD.call(this,a);f=l;j=OD(b);if(null!=j){h=new zC(b,j,!0);for(e=1;4>=e;++e)f=PD(h,j);g=QD(eC(Xn(f.substr(0,3)),10)).b;c=QD(eC(Xn(f.substr(3,3)),10)).b;for(e=1;e<=g;++e)vE(this),f=PD(h,j),this.K[e]=(new YF(VF(Xn(f.substr(0,10))))).b,this.N[e]=-(new YF(VF(Xn(f.substr(10,10))))).b,d=34,34>f.length&&(d=f.length),d=Xn(f.substr(31,d-31)),jE(this,e,d),62<=f.length&&(f=Xn(f.substr(60,3)),0<f.length&&(f=QD(eC(f,10)).b,0<f&&(this.E=e,a.z=f,tE(this),this.E=0)));for(e=1;e<=c;++e)CE(this),
|
|
470
|
+
f=PD(h,j),this.I[e]=QD(eC(Xn(f.substr(0,3)),10)).b,this.J[e]=QD(eC(Xn(f.substr(3,3)),10)).b,g=QD(eC(Xn(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=QD(eC(Xn(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);VG(this);GE(this);iD(this);for(fE(this);(h.k=tC(h,h.b),h.k<h.j)&&!(null==(f=wC(h)));){if(0==f.indexOf("M END"))break;if(0==f.indexOf("M CHG")){g=new yC(f);wC(g);wC(g);j=QD(eC(wC(g),10)).b;
|
|
471
|
+
for(e=1;e<=j;++e)c=QD(eC(wC(g),10)).b,this.B[c]=QD(eC(wC(g),10)).b}if(0==f.indexOf("M APO")){g=new yC(f);wC(g);wC(g);j=QD(eC(wC(g),10)).b;for(e=1;e<=j;++e)c=QD(eC(wC(g),10)).b,f=QD(eC(wC(g),10)).b,this.E=c,Z(this,0),jE(this,this.u,oc+f),this.E=0}}YG(this);fE(this)}}
|
|
472
|
+
function NE(a,b){var c,d,e,f,g;lD.call(this,a);0==b.indexOf(ea)&&(b=b.substr(1,b.length-1));bG(b,ea)&&(b=b.substr(0,b.length-1-0));if(1>b.length)this.u=0;else{try{f=new yC(b);d=QD(eC(wC(f),10)).b;e=QD(eC(wC(f),10)).b;for(c=1;c<=d;++c)g=wC(f),vE(this),jE(this,this.u,g),this.K[c]=(new YF(VF(wC(f)))).b,this.N[c]=-(new YF(VF(wC(f)))).b;for(c=1;c<=e;++c)if(CE(this),this.I[c]=QD(eC(wC(f),10)).b,this.J[c]=QD(eC(wC(f),10)).b,this.t[c]=QD(eC(wC(f),10)).b,-1==this.t[c])this.t[c]=1,this.C[c]=1;else if(-2==this.t[c])this.t[c]=
|
|
473
|
+
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;VG(this);GE(this);iD(this)}catch(j){j=Li(j);if(A(j,123)){j.Ec();this.u=0;return}throw j;}YG(this);fE(this)}}
|
|
474
|
+
function UD(a,b,c){var d,e,f;lD.call(this,a);f=y(I,m,-1,b.u+1,1);for(a=1;a<=b.u;++a)b.b[a]==c&&(vE(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))CE(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=
|
|
475
|
+
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;fE(this);iD(this)}
|
|
476
|
+
function mE(a,b,c){var d,e,f,g,j;lD.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(I,m,-1,this.u+1,1);this.B=y(I,m,-1,this.u+1,1);this.y=y(I,m,-1,this.u+1,1);this.e=y(I,m,-1,this.u+1,1);this.d=y(vs,s,1,this.u+1,0);this.K=y(gD,s,-1,this.u+1,1);this.N=y(gD,s,-1,this.u+1,1);this.p=y(vs,s,1,this.u+1,0);this.I=y(I,m,-1,this.v+1,1);this.J=y(I,m,-1,this.v+1,1);this.t=y(I,m,-1,this.v+1,1);this.f=y(vs,s,1,this.v+1,0);this.C=y(I,m,-1,this.v+1,1);this.r=ks([this.z+1,2]);
|
|
477
|
+
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}fE(this);iD(this)}
|
|
478
|
+
function UC(a){var b;MG(this);this.o=a.o;this.u=a.u;this.v=a.v;this.z=a.z;this.c=y(I,m,-1,this.u+1,1);iG(a.c,this.c,this.u+1);this.B=y(I,m,-1,this.u+1,1);iG(a.B,this.B,this.u+1);this.y=y(I,m,-1,this.u+1,1);iG(a.y,this.y,this.u+1);this.e=y(I,m,-1,this.u+1,1);iG(a.e,this.e,this.u+1);this.d=y(vs,s,1,this.u+1,0);iG(a.d,this.d,this.u+1);this.K=y(gD,s,-1,this.u+1,1);iG(a.K,this.K,this.u+1);this.N=y(gD,s,-1,this.u+1,1);iG(a.N,this.N,this.u+1);this.p=y(vs,s,1,this.u+1,0);iG(a.p,this.p,this.u+1);this.I=y(I,
|
|
479
|
+
m,-1,this.v+1,1);iG(a.I,this.I,this.v+1);this.J=y(I,m,-1,this.v+1,1);iG(a.J,this.J,this.v+1);this.t=y(I,m,-1,this.v+1,1);iG(a.t,this.t,this.v+1);this.f=y(vs,s,1,this.v+1,0);iG(a.f,this.f,this.v+1);this.C=y(I,m,-1,this.v+1,1);iG(a.C,this.C,this.v+1);this.r=ks([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}
|
|
480
|
+
function IE(a,b,c){var d,e,f;if(0==c)return kE(L(a),b);9.0E-4>(0>=a?0-a:a)&&(a=0);a=O(N(ED(a*Math.pow(10,c))))/Math.pow(10,c);e=l+(new YF(a)).b;d=Xu(e,Yu(46));0>d&&(e+=Xa,d=Xu(e,Yu(46)));f=e.length;for(a=1;a<=c-f+d+1;++a)e+=bb;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 OD(a){var b;b=new zC(a,aa,!0);if(4<sC(b))return aa;b=new zC(a,dh,!0);return 4<sC(b)?dh:null}
|
|
481
|
+
function kE(a,b){var c,d,e;d=l+(new T(a)).b;d.length>b&&(d=sb);e=l;for(c=1;c<=b-d.length;++c)e+=ba;return e+d}function PD(a,b){for(var c,d;a.k=tC(a,a.b),a.k<a.j;){d=wC(a);if(G(d,b))return ba;for(wC(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(528,1,{139:1},lD,RD,NE,UD,mE,UC);_.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;
|
|
482
|
+
function Nq(){Nq=x;Oq=new xB(Ub)}
|
|
483
|
+
function $D(a,b){var c;Nq();var d;GG.call(this);this.d=new Vz("Help");new Vz("Home");this.e=b;P(this,(FC(),HC));this.hc&&NA(this.hc.d,!1);KA(this,!1);d=zy(b);if(1==a)this.f||(this.f=new fB(d),EG(this.f,-30,0)),this.k=this.f,c=SC(b),this.hc&&MA(this.hc.d.I.c,Ac),fz(this,new Qz(2)),this.i=new xB(c+" "),Q(this,this.i,Hb),d=new jz,Q(d,this.j,null),this.e.Hb&&(c=new Vz("Submit"),Q(d,c,null)),Q(this,d,Dc),c=Xn(ao(this.i.hc.b.pb,Wg)),zB(this.i.hc,c),this.hc&&NA(this.hc.d,!0),KA(this,!0);else if(2==a)this.c||
|
|
484
|
+
(this.c=new fB(d),EG(this.c,-50,13*b.Z-80)),this.k=this.c,this.hc&&MA(this.hc.d.I.c,"Nonstandard atom"),fz(this,new Qz(2)),c=new jz,Q(c,new ZA("atomic SMILES",1),null),Q(this,c,jc),c=Ub,Oq&&(c=ao(Oq.hc.b.pb,Wg)),Oq=new yB(c,8),Q(this,Oq,Hb),c=new jz,Q(c,this.j,null),Q(this,c,Dc);else{this.b||(this.b=new fB(d),EG(this.b,5*b.Z,0));var e,f;d="About "+(FC(),SE);this.hc&&MA(this.hc.d.I.c,d);fz(this,new VA(0));P(this,HC);Q(this,new ZA(SE+" Molecular Editor v2013-10-13",1),null);Q(this,new ZA("Peter Ertl and Bruno Bienfait",
|
|
485
|
+
1),null);for(c=GC,d=0,f=c.length;d<f;++d)e=c[d],e=new ZA(e,1),My(e,this.e.y),Q(this,e,null);c=new jz;Q(c,this.d,null);Q(c,this.j,null);Q(this,c,null);this.k=this.b}JA(this);c=this.k;FG(this.hc.d,c.b,c.c);!yy(this)&&cz(this);Ny(this)}t(529,521,si,$D);_.Jf=function(a){var b,c;if(a.i===this.d){try{b=new ZB(this.e.I),c=YB(b),$wnd.open(c,"_blank",l)}catch(d){if(d=Li(d),A(d,111))a=this.e,b=d.i,a.lb=!0,a.K="ERROR - "+b,cD(a);else throw d;}return!0}return!1};_.b=null;_.c=null;_.e=null;_.f=null;_.i=null;var Oq;
|
|
486
|
+
function eH(a,b){xy(b)==a.b?P(b,(aA(),jA)):P(b,a.b)}
|
|
487
|
+
function fH(a){var b,c,d,e;e=l;d=!1;xy(gH)!=a.b?(e=wa,d=!0):xy(hH)!=a.b?(e="!#6",d=!0):xy(iH)!=a.b?(P(jH,(aA(),jA)),P(kH,jA),P(lH,jA),P(mH,jA),e="F,Cl,Br,I"):(b=xy(nH)!=a.b,c=xy(oH)!=a.b,xy(pH)!=a.b&&(b?e+="c,":c?e+="C,":e+="#6,"),xy(qH)!=a.b&&(b?e+="n,":c?e+="N,":e+="#7,"),xy(rH)!=a.b&&(b?e+="o,":c?e+="O,":e+="#8,"),xy(sH)!=a.b&&(b?e+="s,":c?e+="S,":e+="#16,"),xy(tH)!=a.b&&(b?e+="p,":c?e+="P,":e+="#15,"),xy(jH)!=a.b&&(e+="F,"),xy(kH)!=a.b&&(e+="Cl,"),xy(lH)!=a.b&&(e+="Br,"),xy(mH)!=a.b&&(e+="I,"),
|
|
488
|
+
bG(e,za)&&(e=e.substr(0,e.length-1-0)),1>e.length&&!a.c&&(b?e=Uc:c?e=vb:(P(gH,(aA(),jA)),e=wa)));b=l;d&&xy(nH)!=a.b&&(b+=";a");d&&xy(oH)!=a.b&&(b+=";A");xy(uH)!=a.b&&(b+=";R");xy(vH)!=a.b&&(b+=";!R");xy(gH)!=a.b&&0<b.length?e=b.substr(1,b.length-1):e+=b;d=wH.hc.b.pb.selectedIndex;0<d&&(--d,e+=";H"+d);d=xH.hc.b.pb.selectedIndex;0<d&&(--d,e+=";D"+d);xy(yH)!=a.b&&(e="~");xy(zH)!=a.b&&(e=lb);xy(AH)!=a.b&&(e=tb);xy(BH)!=a.b&&(e="!@");zB(a.f.hc,e)}
|
|
489
|
+
function CH(a){DH(a);EH(a);var b=wH.hc.b;hx(b,0);b.pb.options[0].selected=!0;b=xH.hc.b;hx(b,0);b.pb.options[0].selected=!0;P(nH,a.b);P(oH,a.b);P(uH,a.b);P(vH,a.b);P(wH,a.b);P(xH,a.b);FH(a)}function DH(a){P(pH,a.b);P(qH,a.b);P(rH,a.b);P(sH,a.b);P(tH,a.b);P(jH,a.b);P(kH,a.b);P(lH,a.b);P(mH,a.b)}function EH(a){P(gH,a.b);P(hH,a.b);P(iH,a.b)}function FH(a){P(yH,a.b);P(zH,a.b);P(AH,a.b);P(BH,a.b);a.c=!1}
|
|
490
|
+
function aE(a){LA.call(this,"Atom/Bond Query");this.j=new Vz(this.If());uz(this.r,new HG(this));this.b=(FC(),HC);this.d=a;this.e||(a=zy(a),this.e=new fB(a),EG(this.e,-150,10));this.k=this.e;fz(this,new UA);P(this,this.b);a=new jz;fz(a,new zA(0,3,1));Q(a,new YA("Atom type :"),null);gH=new Vz(yb);hH=new Vz("Any except C");iH=new Vz("Halogen");Q(a,gH,null);Q(a,hH,null);Q(a,iH,null);Q(this,a,null);a=new jz;fz(a,new zA(0,3,1));Q(a,new ZA("Or select one or more from the list :",0),null);Q(this,a,null);
|
|
491
|
+
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546
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591
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594
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595
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599
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function lM(a,b){if(a.n)return!0;zL(a,b);if(0<a.y.d){a.b=Vt(a.y,0);var c=a.b,d;d=c.nb;if(null==d||!A(d,147))d=new mM,c.nb=d;a.c=d;a.y.Ke();Ui(a.y,a.b)}else a.b=null,a.c=null;return a.n=!!a.b}function nM(){HL.call(this)}t(689,667,{},nM);
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600
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601
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602
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603
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604
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function hJ(a,b,c,d,e){if(A(b,61))throw new uk("Adding a DecoratorPanel is not allowed!");var f;f=b.nb;null!=f&&A(f,150)&&f.f?(c=new pM,sv(a,c,a.pb,d,!0),Gv(c,b)):sv(a,b,c,d,e);jJ(a,b)}
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605
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function jJ(a,b){var c;c=a.e;if(b){var d=c.k;Oi(d.d,b);Oi(d.f,b);Oi(d.c,b);Oi(d.b,b);Oi(d.e,b)}else d=c.k,Wx(d.d),Wx(d.f),Wx(d.c),Wx(d.b),Wx(d.e);c.n=!1;if(!a.d){a.d=!0;c=a.k;c.c=-1;c.b=-1;c=a.ob;if(c==qM(a))c=c.ob;else{if(A(c,142)||A(c,60))d=c,c=c.ob,c==qM(d)&&(c=c.ob);A(c,149)&&A(c.ob,141)&&(c=c.ob)}A(c,148)&&!A(c,141)&&(c.Vf(a.ob),c.Vf(a))}}function Zp(a){a.kb&&a.pb.style.display!=Df&&(a.pb.scrollTop=0,a.pb.scrollLeft=0,a.e.ag(a),a.d=!1,VL(a))}
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606
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607
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function sM(a,b,c){a.n||(a.n=$doc.createElement(wg),xK(a.n,Uf,Vc),xK(a.n,Yg,De),xK(a.n,Ue,cb),xK(a.n,Mg,cb),a.pb.appendChild(a.n));xK(a.n,ah,b);xK(a.n,Ce,b);a=uK(a.n);return c?a.c:a.b}
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608
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627
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628
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629
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630
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