// ############################## START FUNC ############################################
// This function calculates ring centra

function calculate_ring_centra(saml, x, y, z, atom_sorts, d_b_atoms, t_b_atoms, d_conn)
{

   var au=saml.split("#");
   var tupp = new Array(0);
// xp, yp, and zp will work as sums of all participating atoms x, y, z in each ring
// The sums is then devided by the number of participating atoms and put in centra[n][x-z]
   var xp=0;
   var yp=0;
   var zp=0;
   var n=0;
   var m=0;
   var saml="";
   var i="";
   var opp=0;
   var size=0;
   var aromatic="";
   var pi_electrons_counter=0;
   var aromatic_atoms = "";

     for(n=0;n<au.length;n++){
     pi_electrons_counter=0;
     xp=0;
     yp=0;
     zp=0;
     tupp=au[n].split(" ");
     au[n]=" "+au[n]+" ";
     size=tupp.length;
       for(m=0;m<size;m++){
       i=tupp[m];
// parseFloat seem to be necessary to prevent string addition of the values
       xp=xp+parseFloat(x[i]);
       yp=yp+parseFloat(y[i]);
       zp=zp+parseFloat(z[i]);
        if((atom_sorts[i]==6 || atom_sorts[i]==7) && d_b_atoms.Check(i)){
        pi_electrons_counter++;
         if(atom_sorts[i]==6 && (d_conn[i].indexOf("d")>-1 || d_conn[i].indexOf("o")>-1)){
         opp=parseInt(d_conn[i].substring(2,d_conn[i].length));
// A doublebonded carbon must not have its double bond connected to a neighbour outside the ring
          if(au[n].indexOf(" "+opp+" ")==-1) pi_electrons_counter=1.983742411;
         }
        }
        if((atom_sorts[i]==7 || atom_sorts[i]==8 || atom_sorts[i]==16) && !d_b_atoms.Check(i)) pi_electrons_counter=pi_electrons_counter+2; // ex: pyrrol
        if(atom_sorts[i]==8) pi_electrons_counter=pi_electrons_counter+2;
// Just to destroy every possibility to get aromaticity out
        if(atom_sorts[i]==6 && (!d_b_atoms.Check(i) && !t_b_atoms.Check(i))) pi_electrons_counter=1.983742411;
       }
     xp=parseInt(xp/tupp.length*1000)/1000;
     yp=parseInt(yp/tupp.length*1000)/1000;
     zp=parseInt(zp/tupp.length*1000)/1000;
     aromatic="";
      if((pi_electrons_counter-2)/4==parseInt((pi_electrons_counter-2)/4)) aromatic="aromatic_";
      if(pi_electrons_counter/4==parseInt(pi_electrons_counter/4)) aromatic="anti-aromatic_";
// The row below is for cyclodecapentadene and similar molecules. To set the double bonds it is
// necessary to measure the bond lengths and then this solution is probably better anyway.
      if(aromatic=="aromatic_" && (size==10 || size==9)) aromatic="conjugated_";
      if(aromatic=="aromatic_") aromatic_atoms=aromatic_atoms+"#"+au[n];
      if(size>13) size=big;
     saml=saml+" "+aromatic+size+"-ring  "+xp+" "+yp+" "+zp+"#";
     }
     saml=saml.substring(0, saml.length-1);
     if(aromatic_atoms!="") saml=saml+"?"+aromatic_atoms;
return saml;

}
// ############################### end func ############################################