openchemlib 8.18.0 → 8.19.0

package/dist/openchemlib-full.pretty.js

@@ -1,7 +1,7 @@
 /**
  * openchemlib - Manipulate molecules
- * @version v8.18.0
- * @date 2025-02-05T09:21:35.370Z
+ * @version v8.19.0
+ * @date 2025-03-14T08:06:38.354Z
  * @link https://github.com/cheminfo/openchemlib-js
  * @license BSD-3-Clause
 */
@@ -8196,6 +8196,7 @@ _.promoteDelocalizedChains = function promoteDelocalizedChains(){
           terminalBond = bond;
           bridgeAtom = this.mMol.getBondAtom_0(1 - i, bond);
           while (terminalBond != -1) {
+            this.mIsDelocalizedAtom[terminalAtom] = false;
             this.mIsDelocalizedBond[terminalBond] = false;
             this.mDelocalizedBonds--;
             this.mMol.setBondType_0(terminalBond, 8);
@@ -8215,6 +8216,8 @@ _.promoteDelocalizedChains = function promoteDelocalizedChains(){
               }
             }
           }
+          if (terminalAtom != -1)
+            this.mIsDelocalizedAtom[bridgeAtom] = false;
           break;
         }
       }
@@ -19305,7 +19308,7 @@ _.isChalcogene_0 = function isChalcogene(atom){
 }
 ;
 _.isDelocalizedBond_0 = function isDelocalizedBond_1(bond){
-  return bond < this.mBonds?this.mRingSet.isDelocalizedBond_0(bond) || this.mBondType[bond] == 8:false;
+  return bond < this.mBonds && (this.mRingSet.isDelocalizedBond_0(bond) || this.mBondType[bond] == 8);
 }
 ;
 _.isEarthAlkaliMetal_0 = function isEarthAlkaliMetal(atom){
@@ -19535,8 +19538,8 @@ _.isRingAtom_0 = function isRingAtom(atom){
   return (this.mAtomFlags[atom] & 3072) != 0;
 }
 ;
-_.isRingBond_0 = function isRingBond(bnd){
-  return (this.mBondFlags[bnd] & 64) != 0;
+_.isRingBond_0 = function isRingBond(bond){
+  return (this.mBondFlags[bond] & 64) != 0;
 }
 ;
 _.isSimpleHydrogen_0 = function isSimpleHydrogen_0(atom){
@@ -55558,7 +55561,7 @@ _.drawAtomKeyStrokes = function drawAtomKeyStrokes(ctx_0, mol, theAtom){
   highlightPoint = new cargg.GenericPoint_0(mol.getAtomX_0(theAtom), mol.getAtomY_0(theAtom));
   cfg = this.model_0.getGeomFactory().getDrawConfig();
   ctx_0.save_0();
-  ctx_0.setFill(validity == 1?cfg.getForegroundColor():validity == 2?65535:validity == 3?2863311615:68451041535);
+  ctx_0.setFill(validity == 1?cfg.getForegroundColor():validity == 2?65535:validity == 3?2863311615:4278190335);
   if (validity == 4) {
     s = s + '<unknown>';
   }
@@ -101826,7 +101829,7 @@ $gwt && $gwt.permProps && __gwtModuleFunction.__moduleStartupDone($gwt.permProps
 
     var toReturn = $wnd["OCL"];
 
-    toReturn.version = '8.18.0';
+    toReturn.version = '8.19.0';
 
     return toReturn;
   }

package/dist/openchemlib-minimal.js

@@ -1,7 +1,7 @@
 /**
  * openchemlib - Manipulate molecules
- * @version v8.18.0
- * @date 2025-02-05T09:21:26.670Z
+ * @version v8.19.0
+ * @date 2025-03-14T08:06:29.814Z
  * @link https://github.com/cheminfo/openchemlib-js
  * @license BSD-3-Clause
 */
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c,d;for(d=0;d<a.Z.a.length;d++)a.v=m9.Fx(a.v,g9.ei(a.Z,d));f9.fd(a,b);c=0.1*b;a.v.c-=c;a.v.d-=c;a.v.b+=2*c;a.v.a+=2*c};
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x9.pX(f.c),x9.oZ)))+nab+pab+b9.eV(x9.oX(x9.kX(new x9.pX(f.b),x9.oZ)))+nab+qab+b9.eV(x9.oX(x9.kX(new x9.pX(f.d),x9.oZ)))+nab+rab+a.d+nab+sab+a.j+tab;f9.os(a,h)}}}};f9.ld=function ld(a){var b,c,d,e;if(a.K.I){f9.Md(a,320);if((a.F&8)!=0)for(b=0;b<a.K.d;b++)_S(GS(f9.Uj(a.K,b),-536870913),0)&&f9.gs(a,f9.lh(a.Q,f9.Wj(a.K,b))-a.Y/2,f9.mh(a.Q,f9.Xj(a.K,b))-a.Y/2,a.Y);for(e=0;e<a.K.e;e++){if(f9.mk(a.K,e)!=0){c=f9.ck(a.K,0,e);d=f9.ck(a.K,1,e);f9.gs(a,(f9.lh(a.Q,f9.Wj(a.K,c))+f9.lh(a.Q,f9.Wj(a.K,d))-a.Y)/2,(f9.mh(a.Q,f9.Xj(a.K,c))+f9.mh(a.Q,f9.Xj(a.K,d))-a.Y)/2,a.Y)}}}};f9.md=function md(a){a.I=1;a.Q=new f9.nh;a.Z=new g9.ti;a.T=new g9.ti;a.s=NM(a9.zS,uab,5,a.K.o,16,1);a.w=new m9.xx;a.P=0;a.B=-1;f9.Qd(a)};f9.nd=function nd(a,b){var c;if(f9.Mm(a.K,b)==0)return false;for(c=0;c<f9.Mm(a.K,b);c++)if(!f9.Ik(a.K,f9.an(a.K,b,c)))return false;return true};f9.od=function od(a){var b;a.q=NM(a9.zS,uab,5,a.K.o,16,1);for(b=0;b<a.K.p;b++){a.q[f9.ck(a.K,0,b)]=true;a.q[f9.ck(a.K,1,b)]=true}};f9.pd=function pd(a,b){var c;if(f9._m(a.K,b)!=2)return false;for(c=0;c<2;c++)if(f9.bn(a.K,b,c)!=2)return false;return true};f9.qd=function qd(a,b,c,d,e){var f,g,h,i,j,k,l,m,n,o;m=false;e.a=0;e.b=0;d>0?(f=wab):(f=xab);o=f9.bk(a.K,b,c);for(k=0;k<f9._m(a.K,b);k++){g=f9.an(a.K,b,k);h=o;f9.ck(a.K,0,g)==b?(l=f9.ck(a.K,1,g)):(l=f9.ck(a.K,0,g));if(l==c)continue;n=f9.bk(a.K,b,l);h<n&&(h+=yab);i=h-n;if(d>0){i<zab&&(m=true);i>wab&&(i=wab);i<0.523598776&&(i=0.523598776);if(i<=f){f=i;j=a.S*$wnd.Math.tan(f-Aab)/2;e.a=-(j*$wnd.Math.sin(h));e.b=-(j*$wnd.Math.cos(h))}}else{i>=zab&&(m=true);i<xab&&(i=xab);i>5.759586531&&(i=5.759586531);if(i>=f){f=i;j=a.S*$wnd.Math.tan(4.712388981-f)/2;e.a=-(j*$wnd.Math.sin(h));e.b=-(j*$wnd.Math.cos(h))}}}return m};f9.rd=function rd(a,b,c,d){var e;if(b==0){c<0?(d.a=a.S):(d.a=-a.S);d.b=0;return}e=$wnd.Math.atan(c/b);b<0&&(e+=zab);d.a=-(a.S*$wnd.Math.sin(e));d.b=a.S*$wnd.Math.cos(e)};f9.sd=function sd(a,b,c,d){var e,f,g,h,i,j,k,l,m,n,o,p;e=new f9.Ud;i=new f9.Ud;k=new m9.xx;j=new 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false;if(c==3){g.f&&g.c&&(a.V[b]=true);h.f&&h.c&&(a.V[b]=true)}d=a.ib?f9.we(a,g,h):f9.ve(g,h);if(c==1){a.cb[b]=d}else if(c==2){g.f&&(d==1?f9.gg(a.d[g.b],SS(a.e[e])):f9.gg(a.d[g.d],SS(a.e[e])));h.f&&(d==2?f9.gg(a.d[h.b],SS(a.e[f])):f9.gg(a.d[h.d],SS(a.e[f])))}return true};f9.ve=function ve(a,b){var c,d,e;d=f9.Ri(a);e=f9.Ri(b);if(d==-1||e==-1||(d+e&1)==0)return 3;c=0;switch(d+e){case 3:case 7:c=2;break;case 5:c=1;}return c};f9.we=function we(a,b,c){var d,e;d=NM(a9.fO,aab,5,4,15,1);d[0]=b.b;d[1]=b.a;d[2]=c.a;d[3]=c.b;e=f9.mj(a.Q,d);if($wnd.Math.abs(e)<0.3||$wnd.Math.abs(e)>rbb)return 3;return e<0?2:1};f9.xe=function xe(a,b,c){var d,e,f,g,h;if(!f9.Un(a.Q,b))return false;d=f9.ck(a.Q,0,b);e=f9.ck(a.Q,1,b);g=new f9.Si(a.Q,a.e,d,e);if(g.f&&c==1)return false;h=new f9.Si(a.Q,a.e,e,d);if(h.f&&c==1)return false;if(g.f&&h.f)return false;if(c==3){g.f&&(a.U[b]=f9.Df(a,e));h.f&&(a.U[b]=f9.Df(a,d))}f=a.ib?f9.ze(a,g,h):f9.ye(g,h);if(c==1){a.n[b]=f}else if(c==2){g.f&&(f==2?f9.gg(a.d[g.b],SS(a.e[e])):f9.gg(a.d[g.d],SS(a.e[e])));h.f&&(f==2?f9.gg(a.d[h.b],SS(a.e[d])):f9.gg(a.d[h.d],SS(a.e[d])))}return true};f9.ye=function ye(a,b){var c,d,e;d=f9.Ri(a);e=f9.Ri(b);if(d==-1||e==-1||(d+e&1)==0)return 3;c=0;switch(d+e){case 3:case 7:c=1;break;case 5:c=2;}return c};f9.ze=function ze(a,b,c){var d,e;d=NM(a9.fO,aab,5,4,15,1);d[0]=b.b;d[1]=b.a;d[2]=c.a;d[3]=c.b;e=f9.mj(a.Q,d);if($wnd.Math.abs(e)<0.3||$wnd.Math.abs(e)>rbb)return 3;return e<0?1:2};f9.Ae=function Ae(a,b,c){var d,e,f,g,h,i,j,k;if(a.n[b]!=0)return false;if(a.Q.I){for(j=0;j<2;j++){d=f9.ck(a.Q,j,b);for(k=0;k<f9.Mm(a.Q,d);k++)if(_S(GS(f9.Uj(a.Q,f9.$m(a.Q,d,k)),vab),0))return false}}if(f9.kk(a.Q,b)==1)return f9.xe(a,b,c);if(f9.kk(a.Q,b)!=2)return false;if(f9.Tn(a.Q,b))return false;f=f9.ck(a.Q,0,b);g=f9.ck(a.Q,1,b);if(f9._m(a.Q,f)==1||f9._m(a.Q,g)==1)return false;if(f9._m(a.Q,f)>3||f9._m(a.Q,g)>3)return false;if(f9.Rm(a.Q,f)==2||f9.Rm(a.Q,g)==2)return false;h=new f9.Si(a.Q,a.e,g,f);if(h.f&&c==1)return false;i=new f9.Si(a.Q,a.e,f,g);if(i.f&&c==1)return false;if(h.f&&i.f)return false;if(c==3){h.f&&h.c&&(a.U[b]=true);i.f&&i.c&&(a.U[b]=true)}e=f9.Lk(a.Q,b)?3:a.ib?f9.Ce(a,h,i):f9.Be(h,i);if(c==1){a.n[b]=e}else if(c==2){h.f&&(e==1?f9.gg(a.d[h.b],SS(a.e[f])):e==2&&f9.gg(a.d[h.d],SS(a.e[f])));i.f&&(e==1?f9.gg(a.d[i.b],SS(a.e[g])):e==2&&f9.gg(a.d[i.d],SS(a.e[g])))}return true};f9.Be=function Be(a,b){if(f9.Ri(a)==-1||f9.Ri(b)==-1)return 3;if(((f9.Ri(a)|f9.Ri(b))&1)!=0)return 3;return f9.Ri(a)==f9.Ri(b)?1:2};f9.Ce=function Ce(a,b,c){var d,e,f,g,h,i,j;f=NM(a9.dO,ebb,5,3,15,1);f[0]=f9.Wj(a.Q,c.a)-f9.Wj(a.Q,b.a);f[1]=f9.Xj(a.Q,c.a)-f9.Xj(a.Q,b.a);f[2]=f9.Yj(a.Q,c.a)-f9.Yj(a.Q,b.a);i=NM(a9.dO,ebb,5,3,15,1);i[0]=f9.Wj(a.Q,b.b)-f9.Wj(a.Q,b.a);i[1]=f9.Xj(a.Q,b.b)-f9.Xj(a.Q,b.a);i[2]=f9.Yj(a.Q,b.b)-f9.Yj(a.Q,b.a);j=NM(a9.dO,ebb,5,3,15,1);j[0]=f9.Wj(a.Q,c.b)-f9.Wj(a.Q,c.a);j[1]=f9.Xj(a.Q,c.b)-f9.Xj(a.Q,c.a);j[2]=f9.Yj(a.Q,c.b)-f9.Yj(a.Q,c.a);g=NM(a9.dO,ebb,5,3,15,1);g[0]=f[1]*i[2]-f[2]*i[1];g[1]=f[2]*i[0]-f[0]*i[2];g[2]=f[0]*i[1]-f[1]*i[0];h=NM(a9.dO,ebb,5,3,15,1);h[0]=f[1]*g[2]-f[2]*g[1];h[1]=f[2]*g[0]-f[0]*g[2];h[2]=f[0]*g[1]-f[1]*g[0];d=(i[0]*h[0]+i[1]*h[1]+i[2]*h[2])/($wnd.Math.sqrt(i[0]*i[0]+i[1]*i[1]+i[2]*i[2])*$wnd.Math.sqrt(h[0]*h[0]+h[1]*h[1]+h[2]*h[2]));e=(j[0]*h[0]+j[1]*h[1]+j[2]*h[2])/($wnd.Math.sqrt(j[0]*j[0]+j[1]*j[1]+j[2]*j[2])*$wnd.Math.sqrt(h[0]*h[0]+h[1]*h[1]+h[2]*h[2]));return d<0^e<0?1:2};f9.De=function De(a,b){var c,d,e,f;c=f9.Gj(a.Q,b);d=f9.nn(a.Q,b,false);e=f9.nn(a.Q,b,true);f=-1;if(d!=e){c!=-1&&c>d?(f=c<<24>>24):(f=d<<24>>24)}else if(c!=-1){(c>e||c<e&&c>=f9.vn(a.Q,b))&&(f=c<<24>>24)}else if(!f9.zo(a.Q,b)&&f9.dn(a.Q,b)!=0){f=f9.vn(a.Q,b);f-=f9.rk(a.Q,b,f)}f9.Ze(a,b,f);return f};f9.Ee=function Ee(a){var b,c,d,e,f,g,h,i,j,k,l;d=NM(a9.fO,aab,5,a.N,15,1);for(b=0;b<a.Q.d;b++){k=f9._m(a.Q,b)+f9.sn(a.Q,b);j=0;for(f=0;f<f9.Nm(a.Q,b);f++){if(f<f9._m(a.Q,b)||f>=f9.Mm(a.Q,b)){l=2*a.e[f9.$m(a.Q,b,f)];c=f9.an(a.Q,b,f);f9.kk(a.Q,c)==2&&(f9.Tn(a.Q,c)||++l);for(h=0;h<j;h++)if(l<d[h])break;for(i=j;i>h;i--)d[i]=d[i-1];d[h]=l;++j}}f9.ig(a.d[b],b);f9.fg(a.d[b],a.c,SS(a.e[b]));for(g=k;g<a.N;g++)f9.fg(a.d[b],a.c+1,0);for(e=0;e<k;e++)f9.fg(a.d[b],a.c+1,a9.OS(d[e]))}};f9.Fe=function Fe(a,b,c){var d,e,f,g,h,i,j,k,l,m,n,o,p;if(a.cb[b]!=0)return false;if(f9.Zj(a.Q,b)!=5&&f9.Zj(a.Q,b)!=6&&f9.Zj(a.Q,b)!=7&&f9.Zj(a.Q,b)!=14&&f9.Zj(a.Q,b)!=15&&f9.Zj(a.Q,b)!=16)return false;if(f9.Rm(a.Q,b)!=0){if(f9.Vn(a.Q,b))return f9.ue(a,b,c);if(f9.Zj(a.Q,b)!=15&&f9.Zj(a.Q,b)!=16)return false}if(f9._m(a.Q,b)<3||f9.Mm(a.Q,b)>4)return false;if(f9.Ij(a.Q,b)>0&&f9.Zj(a.Q,b)==6)return false;if(f9.Zj(a.Q,b)==5&&f9.Mm(a.Q,b)!=4)return false;if(a.Q.I){if(_S(GS(f9.Uj(a.Q,b),vab),0))return false;for(h=0;h<f9.Mm(a.Q,b);h++)if(_S(GS(f9.Uj(a.Q,f9.$m(a.Q,b,h)),vab),0))return false}if(f9.Zj(a.Q,b)==7&&!a.R[b])return false;o=NM(a9.fO,aab,5,4,15,1);p=NM(a9.fO,aab,5,4,15,1);k=NM(a9.zS,uab,5,4,16,1);for(i=0;i<f9.Mm(a.Q,b);i++){f=-1;e=0;for(j=0;j<f9.Mm(a.Q,b);j++){if(!k[j]){if(f<a.e[f9.$m(a.Q,b,j)]){f=a.e[f9.$m(a.Q,b,j)];e=j}}}o[i]=e;p[i]=f;k[e]=true}if(f9.Mm(a.Q,b)==4&&p[0]==p[1]&&p[2]==p[3])return false;if(f9.Mm(a.Q,b)==4&&(p[0]==p[2]||p[1]==p[3]))return false;if(f9.Mm(a.Q,b)==3&&p[0]==p[2])return false;l=0;m=0;n=false;for(g=1;g<f9.Mm(a.Q,b);g++){if(p[g-1]==p[g]){if(c==1||p[g]==0)return false;l=f9.$m(a.Q,b,o[g-1]);m=f9.$m(a.Q,b,o[g]);c==3&&f9.fo(a.Q,f9.an(a.Q,b,o[g]))&&(a.V[b]=true);n=true}}if(c!=1&&!n)return false;d=a.ib?f9.He(a,b,o):f9.Ge(a,b,o);c==1?(a.cb[b]=d):c==2&&(d==1?f9.gg(a.d[l],SS(a.e[b])):d==2&&f9.gg(a.d[m],SS(a.e[b])));return true};f9.Ge=function Ge(a,b,c){var d,e,f,g,h,i,j,k,l,m;m=VM(HM(a9.fO,2),sbb,6,0,[VM(HM(a9.fO,1),aab,5,15,[2,1,2,1]),VM(HM(a9.fO,1),aab,5,15,[1,2,2,1]),VM(HM(a9.fO,1),aab,5,15,[1,1,2,2]),VM(HM(a9.fO,1),aab,5,15,[2,1,1,2]),VM(HM(a9.fO,1),aab,5,15,[2,2,1,1]),VM(HM(a9.fO,1),aab,5,15,[1,2,1,2])]);d=NM(a9.dO,ebb,5,f9.Mm(a.Q,b),15,1);for(g=0;g<f9.Mm(a.Q,b);g++)d[g]=f9.bk(a.Q,f9.$m(a.Q,b,c[g]),b);j=f9.fn(a.Q,b,c,d,null)<<24>>24;if(j!=3)return j;k=0;l=0;for(h=0;h<f9.Mm(a.Q,b);h++){e=f9.an(a.Q,b,c[h]);if(f9.ck(a.Q,0,e)==b){if(f9.nk(a.Q,e)==129){l!=0&&f9.Yl(a.Q,b);k=h;l=1}if(f9.nk(a.Q,e)==257){l!=0&&f9.Yl(a.Q,b);k=h;l=2}}}if(l==0)return 3;for(f=1;f<f9.Mm(a.Q,b);f++)d[f]<d[0]&&(d[f]+=yab);if(f9.Mm(a.Q,b)==3){switch(k){case 0:(d[1]<d[2]&&d[2]-d[1]<zab||d[1]>d[2]&&d[1]-d[2]>zab)&&(l=3-l);break;case 1:d[2]-d[0]>zab&&(l=3-l);break;case 2:d[1]-d[0]<zab&&(l=3-l);}return l==1?2:1}i=0;d[1]<=d[2]&&d[2]<=d[3]?(i=0):d[1]<=d[3]&&d[3]<=d[2]?(i=1):d[2]<=d[1]&&d[1]<=d[3]?(i=2):d[2]<=d[3]&&d[3]<=d[1]?(i=3):d[3]<=d[1]&&d[1]<=d[2]?(i=4):d[3]<=d[2]&&d[2]<=d[1]&&(i=5);return m[i][k]==l?2:1};f9.He=function He(a,b,c){var d,e,f,g,h,i;d=NM(a9.fO,aab,5,4,15,1);for(h=0;h<f9.Mm(a.Q,b);h++)d[h]=f9.$m(a.Q,b,c[h]);f9.Mm(a.Q,b)==3&&(d[3]=b);e=LM(a9.dO,[G9,ebb],[16,5],15,[3,3],2);for(g=0;g<3;g++){e[g][0]=f9.Wj(a.Q,d[g+1])-f9.Wj(a.Q,d[0]);e[g][1]=f9.Xj(a.Q,d[g+1])-f9.Xj(a.Q,d[0]);e[g][2]=f9.Yj(a.Q,d[g+1])-f9.Yj(a.Q,d[0])}i=NM(a9.dO,ebb,5,3,15,1);i[0]=e[0][1]*e[1][2]-e[0][2]*e[1][1];i[1]=e[0][2]*e[1][0]-e[0][0]*e[1][2];i[2]=e[0][0]*e[1][1]-e[0][1]*e[1][0];f=(e[2][0]*i[0]+e[2][1]*i[1]+e[2][2]*i[2])/($wnd.Math.sqrt(e[2][0]*e[2][0]+e[2][1]*e[2][1]+e[2][2]*e[2][2])*$wnd.Math.sqrt(i[0]*i[0]+i[1]*i[1]+i[2]*i[2]));return f>0?1:2};f9.Ie=function Ie(a){var b,c;b=0;g9.V0(a.d);for(c=0;c<a.d.length;c++){(c==0||f9.hg(a.d[c],a.d[c-1])!=0)&&++b;a.e[a.d[c].a]=b}return b};f9.Je=function 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b,c,d,e,f,g,h,i,j,k,l,m,n,o,p,q;this.j=a;for(d=0;d<a.i.d;d++){a.f[d]&&(a.o[d]==1||a.o[d]==2)&&(a.k[d]==1?this.a<=a.j[d]&&(this.a=1+a.j[d]):a.k[d]==2&&this.i<=a.j[d]&&(this.i=1+a.j[d]))}this.b=this.a+this.i;this.e=LM(a9.zS,[G9,uab],[11,5],16,[this.b+1,a.g.length+1],2);for(e=0;e<a.i.d;e++)a.f[e]&&(a.o[e]==1||a.o[e]==2)&&!a.e[e]&&(this.e[f9.Og(this,e)][a.g.length]=true);for(i=0;i<a.g.length;i++){for(q=0;q<a.g[i].length;q++){c=a.g[i][q];a.f[c]&&(a.o[c]==1||a.o[c]==2)&&(this.e[f9.Og(this,c)][i]=true)}}this.d=NM(a9.fO,sbb,6,this.b,0,2);for(j=0;j<a.g.length;j++){for(n=1;n<this.b;n++){if(this.e[n][j]){for(o=0;o<n;o++){if(this.e[o][j]){this.d[n]=f9.Fg(this.d[n],o);this.d[o]=f9.Fg(this.d[o],n)}}}}}this.c=NM(a9.fO,aab,5,this.b+1,15,1);for(m=0;m<this.b;m++){this.e[m][a.g.length]?(this.c[m]=-1):(this.c[m]=-2)}for(k=0;k<a.g.length;k++){if(this.e[this.b][k]){for(l=0;l<this.b;l++){this.e[l][k]&&this.c[l]!=k&&(this.c[l]==-2?(this.c[l]=k):(this.c[l]=-3))}}}for(b=0;b<this.b;b++){if(this.c[b]>=-1){f=NM(a9.fO,aab,5,this.b,15,1);if(f9.Hg(this,f,b)){for(l=0;l<this.b;l++){f[l]!=0&&(this.c[l]=-3)}}}}for(h=0;h<a.g.length-1;h++){for(n=1;n<this.b;n++){if(this.e[n][h]&&this.c[n]!=-3){for(o=0;o<n;o++){if(this.e[o][h]&&this.c[o]!=-3){g=f9.Ig(this,n,o,h);if(g!=null){for(p=0;p<g.length;p++)this.c[g[p]]=-3;f9.Rg(this,g);break}}}}}}};uT(217,1,{},f9.Sg);_.a=0;_.b=0;_.f=0;_.g=0;_.i=0;a9.tO=NU(217);f9.Tg=function Tg(a,b){var c,d;if(a==null)return b==null?0:1;if(b==null)return -1;c=$wnd.Math.min(a.length,b.length);for(d=0;d<c;d++)if((a[d]&Cbb)!=(b[d]&Cbb))return (a[d]&Cbb)<(b[d]&Cbb)?-1:1;return a.length==b.length?0:a.length<b.length?-1:1};f9.Ug=function Ug(){};uT(218,1,{},f9.Ug);_.qb=function Vg(a,b){return f9.Tg(a,b)};_.jb=function Wg(a){return this===a};a9.vO=NU(218);f9.Xg=function Xg(a,b){if(a.a!=b.a)return a.a<b.a?-1:1;if(a.b!=b.b)return a.b<b.b?-1:1;if(a.c!=b.c)return a.c<b.c?-1:1;return 0};f9.Yg=function Yg(a,b){return $wnd.Math.sqrt((b.a-a.a)*(b.a-a.a)+(b.b-a.b)*(b.b-a.b)+(b.c-a.c)*(b.c-a.c))};f9.Zg=function Zg(a,b){var c;if(b==null||!TN(b,38))return false;c=b;return $wnd.Math.abs(c.a-a.a)+$wnd.Math.abs(c.b-a.b)+$wnd.Math.abs(c.c-a.c)<1.0E-6};f9.$g=function $g(a,b,c,d){a.a=b;a.b=c;a.c=d};f9._g=function _g(a,b){f9.$g(a,b.a,b.b,b.c);return a};f9.ah=function ah(){};f9.bh=function bh(a,b,c){this.a=a;this.b=b;this.c=c};f9.dh=function dh(a){f9.bh.call(this,a.a,a.b,a.c)};uT(38,1,{38:1,4:1,27:1},f9.ah,f9.bh,f9.dh);_.rb=function eh(a){return f9.Xg(this,a)};_.jb=function fh(a){return f9.Zg(this,a)};_.mb=function gh(){var a;a=new z9.DZ('0.00');return '['+z9.CZ(a,this.a)+', '+z9.CZ(a,this.b)+', '+z9.CZ(a,this.c)+']'};_.a=0;_.b=0;_.c=0;a9.xO=NU(38);f9.hh=function hh(a,b){b.c*=a.c;b.a=b.a*a.c+a.a;b.b=b.b*a.c+a.b};f9.ih=function ih(a,b){b.a=b.a*a.c+a.a;b.b=b.b*a.c+a.b};f9.jh=function jh(a,b){b.c=b.c*a.c+a.a;b.d=b.d*a.c+a.b;b.b*=a.c;b.a*=a.c};f9.kh=function kh(a){a.a=0;a.b=0;a.c=1};f9.lh=function lh(a,b){return b*a.c+a.a};f9.mh=function mh(a,b){return b*a.c+a.b};f9.nh=function nh(){f9.kh(this)};f9.oh=function oh(a,b,c){var d,e,f,g;f9.kh(this);e=b.b/a.b;g=b.a/a.a;f=0;f==0&&(f=24);d=f/c;this.c=$wnd.Math.min(d,$wnd.Math.min(e,g));this.a=b.c+b.b/2-this.c*(a.c+a.b/2);this.b=b.d+b.a/2-this.c*(a.d+a.a/2)};uT(109,1,{},f9.nh,f9.oh);_.mb=function ph(){return 'DepictorTransformation Offset: '+this.a+','+this.b+' Scaling: '+this.c};_.a=0;_.b=0;_.c=0;a9.yO=NU(109);f9.qh=function qh(a){var b,c,d,e;if(!b9.jW(e9.X8(a).substr(0,21),pbb)||(d=e9.X8(qbb).length,!b9.jW(e9.X8(a).substr(e9.X8(a).length-d,d),qbb)))return null;c=b9.oW(a,yW(34),21);if(c==-1)return null;e=(e9.R8(21,c,e9.X8(a).length),e9.X8(a).substr(21,c-21));b=b9.vW(a,21+e9.X8(e).length+1,e9.X8(a).length-17);if(b9.jW(e,'arrow'))return new k9.lx(b);if(b9.jW(e,'text'))return new f9.bu(b);return null};g9.A1=function A1(a){return new g9.W4(a)};g9.B1=function B1(a){return new B9.b8(a.tb())};g9.rh=function rh(a,b,c){var d,e;for(e=a.sb();e.bc();){d=e.cc();if(_N(b)===_N(d)||b!=null&&b9.Lc(b,d)){c&&e.dc();return true}}return false};g9.sh=function sh(a,b){var c,d;e9.M8(b);for(d=b.sb();d.bc();){c=d.cc();if(!a.contains(c)){return false}}return true};g9.th=function th(a,b){var c,d,e;e9.M8(b);c=false;for(d=a.sb();d.bc();){e=d.cc();if(b.contains(e)){d.dc();c=true}}return c};g9.uh=function uh(a){var b,c,d;d=new g9.$4('[',']');for(c=a.sb();c.bc();){b=c.cc();g9.Y4(d,_N(b)===_N(a)?'(this Collection)':b==null?N9:BT(b))}return !d.a?d.c:e9.X8(d.e).length==0?d.a.a:d.a.a+(''+d.e)};uT(260,1,{26:1});_.tb=function Eh(){return new g9.W4(this)};_.ub=function Fh(){return new B9.b8(this.tb())};_.add=function vh(a){throw ES(new b9.YW('Add not supported on this collection'))};_.addAll=function wh(a){var b,c,d;e9.M8(a);b=false;for(d=a.sb();d.bc();){c=d.cc();b=b|this.add(c)}return b};_.clear=function xh(){var a;for(a=this.sb();a.bc();){a.cc();a.dc()}};_.contains=function yh(a){return g9.rh(this,a,false)};_.containsAll=function zh(a){return g9.sh(this,a)};_.isEmpty=function Ah(){return this.size()==0};_.remove=function Bh(a){return g9.rh(this,a,true)};_.removeAll=function Ch(a){return g9.th(this,a)};_.retainAll=function Dh(a){var b,c,d;e9.M8(a);b=false;for(c=this.sb();c.bc();){d=c.cc();if(!a.contains(d)){c.dc();b=true}}return b};_.toArray=function Gh(){return this.vb(NM(a9.xQ,Q9,1,this.size(),5,1))};_.vb=function Hh(a){var b,c,d,e;e=this.size();a.length<e&&(a=e9.s8(new Array(e),a));d=a;c=this.sb();for(b=0;b<e;++b){RM(d,b,c.cc())}a.length>e&&a9.QM(a,e,null);return a};_.mb=function Ih(){return g9.uh(this)};a9.NQ=NU(260);g9.q4=function q4(a){return new g9.W4(a)};g9.r4=function r4(a){var b;return B9._7(a.ub(),(b=B9.j7(new B9.q7,B9.Z6(new B9.o7,new B9.m7,new B9.Q7,VM(HM(a9.XR,1),Dbb,59,0,[(B9.b7(),B9._6)]))),B9.f7(b,new B9.t7)))};g9.Jh=function Jh(a,b){var c,d;for(c=0,d=a.size();c<d;++c){if(g9.F4(b,a.getAtIndex(c))){return c}}return -1};g9.Kh=function Kh(a,b,c){return new g9.b_(a,b,c)};uT(261,260,Ebb);
 _.tb=function Xh(){return new g9.W4(this)};_.addAtIndex=function Lh(a,b){throw ES(new b9.YW('Add not supported on this list'))};_.add=function Mh(a){this.addAtIndex(this.size(),a);return true};_.addAllAtIndex=function Nh(a,b){var c,d,e;e9.M8(b);c=false;for(e=b.sb();e.bc();){d=e.cc();this.addAtIndex(a++,d);c=true}return c};_.clear=function Oh(){this.wb(0,this.size())};_.jb=function Ph(a){var b,c,d,e,f;if(a===this){return true}if(!TN(a,52)){return false}f=a;if(this.size()!=f.size()){return false}e=f.sb();for(c=this.sb();c.bc();){b=c.cc();d=e.cc();if(!(_N(b)===_N(d)||b!=null&&b9.Lc(b,d))){return false}}return true};_.lb=function Qh(){return g9.D1(this)};_.indexOf=function Rh(a){return g9.Jh(this,a)};_.sb=function Sh(){return new g9.V$(this)};_.lastIndexOf=function Th(a){var b;for(b=this.size()-1;b>-1;--b){if(g9.F4(a,this.getAtIndex(b))){return b}}return -1};_.removeAtIndex=function Uh(a){throw ES(new b9.YW('Remove not supported on this list'))};_.wb=function Vh(a,b){var c,d;d=new g9._$(this,a);for(c=a;c<b;++c){e9.K8(d.a<d.c.size());d.c.getAtIndex(d.b=d.a++);g9.U$(d)}};_.setAtIndex=function Wh(a,b){throw ES(new b9.YW('Set not supported on this list'))};_.subList=function Yh(a,b){return g9.Kh(this,a,b)};a9.UQ=NU(261);function aV(a){if(a==null){return false}return a.$implements__java_lang_Cloneable||Array.isArray(a)}
@@ -142,7 +142,7 @@ e9.w8=function w8(a,b,c){var d,e,f,g,h,i,j,k,l;f=0;for(j=0;j<c;){++f;e=a[b+j];if
 
     var toReturn = $wnd["OCL"];
 
-    toReturn.version = '8.18.0';
+    toReturn.version = '8.19.0';
 
     return toReturn;
   }

package/lib/canvas_editor/init/canvas_editor.js

@@ -105,6 +105,12 @@ function initCanvasEditor(
       this.#destroy = null;
     }
 
+    moleculeChanged() {
+      this.#checkNotDestroyed();
+
+      this.#editorArea.getGenericEditorArea().moleculeChanged();
+    }
+
     #checkNotDestroyed() {
       if (!this.#editorArea) {
         throw new Error('CanvasEditor has been destroyed');

package/lib/canvas_editor/init/canvas_editor_element.js

@@ -118,6 +118,13 @@ function initCanvasEditorElement(CanvasEditor, Molecule, ReactionEncoder) {
       this.idcode = '';
     }
 
+    /**
+     * @this {CanvasEditorElement}
+     */
+    moleculeChanged() {
+      this.#editor.moleculeChanged();
+    }
+
     /* --- internals --- */
     /** @type {CanvasEditor} */ #editor;
 

package/package.json

@@ -1,6 +1,6 @@
 {
   "name": "openchemlib",
-  "version": "8.18.0",
+  "version": "8.19.0",
   "description": "Manipulate molecules",
   "keywords": [
     "chemistry",