var tabelaPeriodica = {
    'H': {'energia': 4.5},
    'He': {'energia': 24.6},
    'Li': {'energia': 5.4},
    'Be': {'energia': 9.3},
    'B': {'energia': 8.3},
    'C': {'energia': 7.5},
    'N': {'energia': 10.0},
    'O': {'energia': 12.0},
    'F': {'energia': 15.0},
    'Ne': {'energia': 21.6},
    'Na': {'energia': 5.1},
    'Mg': {'energia': 7.6},
    'Al': {'energia': 5.9},
    'Si': {'energia': 8.2},
    'P': {'energia': 10.5},
    'S': {'energia': 10.4},
    'Cl': {'energia': 12.0},
    'Ar': {'energia': 15.8},
    'K': {'energia': 4.3},
    'Ca': {'energia': 6.1},
    'Sc': {'energia': 6.6},
    'Ti': {'energia': 6.8},
    'V':{'energia' :6.7 },
    'Cr':{'energia' :6.8 },
    'Mn':{'energia' :7.4 },
    'Fe':{'energia' :7.9 },
    'Co':{'energia' :7.7 },
    'Ni':{'energia' :7.6 },
    'Cu':{'energia' :7.7 },
    'Zn':{'energia' :9.4 },
    'Ga':{'energia' :5.9 },
    'Ge':{'energia' :7.9 },
    'As':{'energia' :9.8 },
    'Se':{'energia' :9.8 },
    'Br':{'energia' :11.8 },
    'Kr':{'energia' :14.0 },
    'Rb':{'energia' :4.2 },
    'Sr':{'energia' :5.0 },
    'Y':{'energia' :6.2 },
    'Zr':{'energia' :6.6 },
    'Nb':{'energia' :6.8 },
    'Mo':{'energia' :7.1 },
    'Tc':{'energia' :7.3 },
    'Ru':{'energia' :7.2 },
    'Rh':{'energia' :7.5 },
    'Pd':{'energia' :8.3 },
    'Ag':{'energia' :7.6 },
    'Cd':{'energia' :8.9 },
    'In':{'energia' :5.8 },
    'Sn':{'energia' :7.3 },
    'Sb':{'energia' :8.6 },
    'Te':{'energia' :9.0 },
    'I':{'energia' :10.5 },
    "Xe": {"energy":12}
        };
        
function calcularEnergiaMolecula() {
  var smiles = document.getElementById("smiles").value;
  var molecula = converterSMILESParaMolecula(smiles);
  var energiaMolecula = calcularEnergia(molecula);
  document.getElementById("outputMolEnergy").innerHTML = "A energia total da molécula é: " + energiaMolecula + " eV";
  
  // Get the existing button element by its ID
  var existingButton = document.getElementById("molEnergycaleV");
  
  // Attach an event listener to the button that calls navigator.clipboard.writeText()
  existingButton.addEventListener("click", function() {
    navigator.clipboard.writeText(energiaMolecula);
  });
}


    function converterSMILESParaMolecula(smiles) {
        var molecula = {};
        var i = 0;
        while (i < smiles.length) {
            var elemento = '';
            var quantidade = 1;
            if (smiles[i].toUpperCase() === smiles[i]) {
                elemento = smiles[i];
                i++;
                if (i < smiles.length && smiles[i].toLowerCase() === smiles[i]) {
                    elemento += smiles[i];
                    i++;
                }
            }
            if (i < smiles.length && !isNaN(parseInt(smiles[i]))) {
                quantidade = parseInt(smiles[i]);
                i++;
            }
            if (elemento in molecula) {
                molecula[elemento] += quantidade;
            } else {
                molecula[elemento] = quantidade;
            }
        }
        return molecula;
    }

    function calcularEnergia(molecula) {
        var energiaTotal = 0;
        for (var elemento in molecula) {
            if (molecula.hasOwnProperty(elemento)) {
                var quantidade = molecula[elemento];
                var energiaAtomo = tabelaPeriodica[elemento]['energia'];
                energiaTotal += energiaAtomo * quantidade;
            }
        }
        return energiaTotal;
    }