function submit(){ var c = parseInt(document.getElementById("c").value); var h = parseInt(document.getElementById("h").value); var o = parseInt(document.getElementById("o").value); var n = parseInt(document.getElementById("n").value); if(isNaN(c)){ c = 0; } if(isNaN(h)){ h = 0; } if(isNaN(o)){ o = 0; } if(isNaN(n)){ n = 0; } if(c > 0){ //console.log("C" + c + "H" + h + "O" + o + "N" + n); var list = []; var m = new Molecule("C"); expandMolecule(c-1, o, n, m, list); //console.log(list); for(var i=list.length-1;i>=0;i--){ if(list[i].getOpenBondCount() != h){ list.splice(i, 1); } } //console.log(list[0]); }else if(n > 0){ //console.log("C" + c + "H" + h + "O" + o + "N" + n); var list = []; var m = new Molecule("N"); expandMolecule(c, o, n-1, m, list); //console.log(list); for(var i=list.length-1;i>=0;i--){ if(list[i].getOpenBondCount() != h){ list.splice(i, 1); } } //console.log(list[0]); } var list_ = []; for(var i=0;i"; s += " bonds: [
" for(var k=0;k" } s += " ]
" } s += "},

"; } document.getElementById("consolesubstetute").innerHTML = s; } function expandMolecule(cAmount, oAmount, nAmount, molecule, list){ if(molecule === null){ return; } var finished = true; if(cAmount > 0){ finished = false; var counter = new nCounter(4, molecule.atoms.length); counter.next(); while(!counter.finished()){ var connections = counter.getCurrent(); expandMolecule(cAmount-1, oAmount, nAmount, molecule.add("C", connections), list); counter.next(); } } if(nAmount > 0){ finished = false; var counter = new nCounter(3, molecule.atoms.length); counter.next(); while(!counter.finished()){ var connections = counter.getCurrent(); expandMolecule(cAmount, oAmount, nAmount-1, molecule.add("N", connections), list); counter.next(); } } if(oAmount > 0){ finished = false; var counter = new nCounter(2, molecule.atoms.length); counter.next(); while(!counter.finished()){ var connections = counter.getCurrent(); expandMolecule(cAmount, oAmount-1, nAmount, molecule.add("O", connections), list); counter.next(); } } if(finished){ list.push(molecule); } } function Atom(name){ this.name = name; this.bonds = []; if(this.name == "C"){ this.bonds = [null, null, null, null]; }else if(this.name == "O"){ this.bonds = [null, null]; }else if(this.name == "N"){ this.bonds = [null, null, null]; }else{ this.bonds = [null]; } this.addBondTo = function(index){ var i = 0; while(this.bonds[i] != null){ i++; if(i >= this.bonds.length){ return false; } } this.bonds[i] = index; return true; } this.getOpenBondCount = function(){ var sum = 0; for(var i=0;i this.atoms[i].bonds[k]) && this.atoms[i].bonds[k] != null && this.atoms[i].bonds[k-1] != undefined){ //console.log(this.atoms[i].bonds[k-1] + " > " + this.atoms[i].bonds[k]); var temp = this.atoms[i].bonds[k-1]; this.atoms[i].bonds[k-1] = this.atoms[i].bonds[k]; this.atoms[i].bonds[k] = temp; k--; if(k <= 0){ break; } } }catch(Exception){ } } } } this.increaseIndexes = function(){ for(var i=0;i= this.base){ this.number[at] = 0; at -= 1; this.number[at] += 1; if(at == -1){ this.isFinished = true; } } } this.finished = function(){ return this.isFinished; } this.getCurrent = function(){ return this.number; } } function permutations(list){ if(list.length <= 1){ return [list]; }else{ var pers = []; for(var i=0;i

Isomer-finder 3