MediaWiki:GlycosphingolipidMassCalculator.js - Revision history

Jcblmaster at 04:19, 25 January 2023

2023-01-25T04:19:28Z

Jcblmaster at 05:32, 7 March 2018

2018-03-07T05:32:38Z

@@ Line 47: / Line 47: @@
 	document.getElementById("calculate_glycosphingolipid_button").onclick = function(){
 		calculateGlycosphingolipid();
+	}
+}

Jcblmaster at 04:55, 7 March 2018

2018-03-07T04:55:12Z

← Older revision		Revision as of 13:55, 7 March 2018
Line 110:		Line 110:
	return 0;		return 0;
	}		}
			num = Number(num);
	if(max != 0 && max < num){		if(max != 0 && max < num){
	dom.value = max;		dom.value = max;
Line 118:		Line 119:
	return min;		return min;
	}		}
	return ~~Number(~~num);		return num;
	}		}
	function checkFormulaNums(atom, count)		function checkFormulaNums(atom, count)

Jcblmaster at 04:43, 7 March 2018

2018-03-07T04:43:25Z

← Older revision		Revision as of 13:43, 7 March 2018
Line 51:		Line 51:
	function setLactoneMax()		function setLactoneMax()
	{		{
	var neuac = getGlycosphingolipidNum("cs_neuac", 0);		var neuac = getGlycosphingolipidNum("cs_neuac", 0, 0);
	var hexua = getGlycosphingolipidNum("cs_hexua", 0);		var hexua = getGlycosphingolipidNum("cs_hexua", 0, 0);
	var neugc = getGlycosphingolipidNum("cs_neugc", 0);		var neugc = getGlycosphingolipidNum("cs_neugc", 0, 0);
	var lactoneMax = neuac + hexua + neugc;		var lactoneMax = neuac + hexua + neugc;

Line 65:		Line 65:
	var saturationDOM = document.getElementById("cs_fa_unsaturation");		var saturationDOM = document.getElementById("cs_fa_unsaturation");
	var hydroxyDOM = document.getElementById("cs_fa_hydroxygroup");		var hydroxyDOM = document.getElementById("cs_fa_hydroxygroup");
	var carbonno = getGlycosphingolipidNum("cs_fa_carbonno", 0);		var carbonno = getGlycosphingolipidNum("cs_fa_carbonno", 0, 0);
	if(carbonno < 3){		if(carbonno < 3){
	saturationDOM.max = 0;		saturationDOM.max = 0;
Line 71:		Line 71:
	} else {		} else {
	saturationDOM.max = carbonno-2;		saturationDOM.max = carbonno-2;
	var saturation = getGlycosphingolipidNum("cs_fa_unsaturation", 0);		var saturation = getGlycosphingolipidNum("cs_fa_unsaturation", 0, 0);
	if(carbonno-2 < saturation)		if(carbonno-2 < saturation)
	saturationDOM.value = carbonno-2;		saturationDOM.value = carbonno-2;
Line 79:		Line 79:
	else {		else {
	hydroxyDOM.max = carbonno-1;		hydroxyDOM.max = carbonno-1;
	var hydroxy = getGlycosphingolipidNum("cs_fa_hydroxygroup", 0);		var hydroxy = getGlycosphingolipidNum("cs_fa_hydroxygroup", 0, 0);
	if(carbonno-1 < hydroxy)		if(carbonno-1 < hydroxy)
	hydroxyDOM.value = carbonno-1;		hydroxyDOM.value = carbonno-1;
Line 86:		Line 86:
	function setLongChainBasesMax(id, min)		function setLongChainBasesMax(id, min)
	{		{
	getGlycosphingolipidNum(id, min);		getGlycosphingolipidNum(id, min, 0);
	}		}
	function switchCharge()		function switchCharge()
Line 102:		Line 102:
	document.getElementById("cs_charge").value = charge;		document.getElementById("cs_charge").value = charge;
	}		}
	function getGlycosphingolipidNum(id, min)		function getGlycosphingolipidNum(id, min, max)
	{		{
	var dom = document.getElementById(id);		var dom = document.getElementById(id);
	var num = dom.value;		var num = dom.value;
	if(isFinite(num) && num >= ~~min)~~		if(num == null \|\| !isFinite(num)){
	return ~~Number~~(num);		dom.value = 0;
	dom.value = min;		return 0;
	return ~~min~~;		}
			if(max != 0 && max < num){
			dom.value = max;
			return max;
			}
			if(num < min){
			dom.value = min;
			return min;
			}
			return Number(num);
	}		}
	function checkFormulaNums(atom, count)		function checkFormulaNums(atom, count)
Line 123:		Line 132:
	function calculateGlycosphingolipid()		function calculateGlycosphingolipid()
	{		{
	var hexose = getGlycosphingolipidNum("cs_hexose", 0);		var hexose = getGlycosphingolipidNum("cs_hexose", 0, 0);
	var fucose = getGlycosphingolipidNum("cs_fucose", 0);		var fucose = getGlycosphingolipidNum("cs_fucose", 0, 0);
	var hexua = getGlycosphingolipidNum("cs_hexua", 0);		var hexua = getGlycosphingolipidNum("cs_hexua", 0, 0);
	var hexnac = getGlycosphingolipidNum("cs_hexnac", 0);		var hexnac = getGlycosphingolipidNum("cs_hexnac", 0, 0);
	var neuac = getGlycosphingolipidNum("cs_neuac", 0);		var neuac = getGlycosphingolipidNum("cs_neuac", 0, 0);
	var neugc = getGlycosphingolipidNum("cs_neugc", 0);		var neugc = getGlycosphingolipidNum("cs_neugc", 0, 0);
	var methyl = getGlycosphingolipidNum("cs_methyl", -99);		var methyl = getGlycosphingolipidNum("cs_methyl", -99, 0);
	var acetyl = getGlycosphingolipidNum("cs_acetyl", -99);		var acetyl = getGlycosphingolipidNum("cs_acetyl", -99, 0);
	var nma = getGlycosphingolipidNum("cs_nmethylamide", 0);		var nma = getGlycosphingolipidNum("cs_nmethylamide", 0, 0);
	var fac = getGlycosphingolipidNum("cs_fa_carbonno", 0);		var fac = getGlycosphingolipidNum("cs_fa_carbonno", 0, 0);
	var faus = getGlycosphingolipidNum("cs_fa_unsaturation", fac-2);		var faus = getGlycosphingolipidNum("cs_fa_unsaturation", 0, fac-2 < 0 ? 0 : fac-2);
	var faoh = getGlycosphingolipidNum("cs_fa_hydroxygroup", fac-1);		var faoh = getGlycosphingolipidNum("cs_fa_hydroxygroup", 0, fac-1 < 0 ? 0 : fac-1);
	var lcbc = getGlycosphingolipidNum("cs_lcb_carbonno", 5);		var lcbc = getGlycosphingolipidNum("cs_lcb_carbonno", 5, 0);
	var lcbus = getGlycosphingolipidNum("cs_lcb_unsaturation", 0);		var lcbus = getGlycosphingolipidNum("cs_lcb_unsaturation", 0, 0);
	var lcboh = getGlycosphingolipidNum("cs_lcb_hydroxygroup", 2);		var lcboh = getGlycosphingolipidNum("cs_lcb_hydroxygroup", 2, 0);
	var hpo3 = getGlycosphingolipidNum("cs_phosphate", 0);		var hpo3 = getGlycosphingolipidNum("cs_phosphate", 0, 0);
	var nh4 = getGlycosphingolipidNum("cs_nh4", 0);		var nh4 = getGlycosphingolipidNum("cs_nh4", 0, 0);
	var sod = getGlycosphingolipidNum("cs_na", 0);		var sod = getGlycosphingolipidNum("cs_na", 0, 0);
	var pot = getGlycosphingolipidNum("cs_k", 0);		var pot = getGlycosphingolipidNum("cs_k", 0, 0);
	var so3 = getGlycosphingolipidNum("cs_sulfate", 0);		var so3 = getGlycosphingolipidNum("cs_sulfate", 0, 0);
	var lactone = getGlycosphingolipidNum("cs_lactone", neuac+neugc+hexua);		var lactone = getGlycosphingolipidNum("cs_lactone", 0, neuac+neugc+hexua);
	var charge = getGlycosphingolipidNum("cs_charge", 0);		var charge = getGlycosphingolipidNum("cs_charge", 0, 0);

	var pol = document.getElementById("cs_polarity").value;		var pol = document.getElementById("cs_polarity").value;

Jcblmaster at 00:25, 11 December 2017

2017-12-11T00:25:48Z

← Older revision		Revision as of 09:25, 11 December 2017
Line 29:		Line 29:
	document.getElementById("cs_fa_hydroxygroup").onchange = function(){		document.getElementById("cs_fa_hydroxygroup").onchange = function(){
	setFattyAcidMax();		setFattyAcidMax();
			}
			// setLongChainBases
			document.getElementById("cs_lcb_carbonno").onchange = function(){
			setLongChainBasesMax("cs_lcb_carbonno", document.getElementById("cs_lcb_carbonno").min);
			}
			document.getElementById("cs_lcb_hydroxygroup").onchange = function(){
			setLongChainBasesMax("cs_lcb_hydroxygroup", document.getElementById("cs_lcb_hydroxygroup").min);
	}		}
	// Polarity		// Polarity
Line 76:		Line 83:
	hydroxyDOM.value = carbonno-1;		hydroxyDOM.value = carbonno-1;
	}		}
			}
			function setLongChainBasesMax(id, min)
			{
			getGlycosphingolipidNum(id, min);
	}		}
	function switchCharge()		function switchCharge()
Line 98:		Line 109:
	return Number(num);		return Number(num);
	dom.value = min;		dom.value = min;
	return 0;		return min;
	}		}
	function checkFormulaNums(atom, count)		function checkFormulaNums(atom, count)
Line 122:		Line 133:
	var nma = getGlycosphingolipidNum("cs_nmethylamide", 0);		var nma = getGlycosphingolipidNum("cs_nmethylamide", 0);
	var fac = getGlycosphingolipidNum("cs_fa_carbonno", 0);		var fac = getGlycosphingolipidNum("cs_fa_carbonno", 0);
	var faus = getGlycosphingolipidNum("cs_fa_unsaturation", 0);		var faus = getGlycosphingolipidNum("cs_fa_unsaturation", fac-2);
	var faoh = getGlycosphingolipidNum("cs_fa_hydroxygroup", 0);		var faoh = getGlycosphingolipidNum("cs_fa_hydroxygroup", fac-1);
	var lcbc = getGlycosphingolipidNum("cs_lcb_carbonno", 0);		var lcbc = getGlycosphingolipidNum("cs_lcb_carbonno", 5);
	var lcbus = getGlycosphingolipidNum("cs_lcb_unsaturation", 0);		var lcbus = getGlycosphingolipidNum("cs_lcb_unsaturation", 0);
	var lcboh = getGlycosphingolipidNum("cs_lcb_hydroxygroup", 0);		var lcboh = getGlycosphingolipidNum("cs_lcb_hydroxygroup", 2);
	var hpo3 = getGlycosphingolipidNum("cs_phosphate", 0);		var hpo3 = getGlycosphingolipidNum("cs_phosphate", 0);
	var nh4 = getGlycosphingolipidNum("cs_nh4", 0);		var nh4 = getGlycosphingolipidNum("cs_nh4", 0);
Line 132:		Line 143:
	var pot = getGlycosphingolipidNum("cs_k", 0);		var pot = getGlycosphingolipidNum("cs_k", 0);
	var so3 = getGlycosphingolipidNum("cs_sulfate", 0);		var so3 = getGlycosphingolipidNum("cs_sulfate", 0);
	var lactone = getGlycosphingolipidNum("cs_lactone", 0);		var lactone = getGlycosphingolipidNum("cs_lactone", neuac+neugc+hexua);
	var charge = getGlycosphingolipidNum("cs_charge", 0);		var charge = getGlycosphingolipidNum("cs_charge", 0);

Jcblmaster at 23:43, 27 November 2017

2017-11-27T23:43:30Z

← Older revision		Revision as of 08:43, 28 November 2017
Line 128:		Line 128:
	var lcboh = getGlycosphingolipidNum("cs_lcb_hydroxygroup", 0);		var lcboh = getGlycosphingolipidNum("cs_lcb_hydroxygroup", 0);
	var hpo3 = getGlycosphingolipidNum("cs_phosphate", 0);		var hpo3 = getGlycosphingolipidNum("cs_phosphate", 0);
	var ~~cal~~ = getGlycosphingolipidNum("~~cs_ca~~", 0);		var nh4 = getGlycosphingolipidNum("cs_nh4", 0);
	var sod = getGlycosphingolipidNum("cs_na", 0);		var sod = getGlycosphingolipidNum("cs_na", 0);
	var pot = getGlycosphingolipidNum("cs_k", 0);		var pot = getGlycosphingolipidNum("cs_k", 0);
Line 138:		Line 138:
	switch(pol){		switch(pol){
	case 'NON': pol = 0; break;		case 'NON': pol = 0; break;
	case 'NEG': pol = 1; break;		case 'NEG': pol = -1; break;
	case 'POS': pol = -1; break;		case 'POS': pol = 1; break;
	}		}

Line 147:		Line 147:
	methyl + acetyl*2 + nma + fac + lcbc; // C		methyl + acetyl*2 + nma + fac + lcbc; // C
	formulaNums[1] = 2 + (hexose + fucose)10 + hexnac13 + (neuac + neugc)*17 +		formulaNums[1] = 2 + (hexose + fucose)10 + hexnac13 + (neuac + neugc)*17 +
	hexua8 + hpo3 + (methyl + acetyl ~~- cal~~ - lcbus)2 +		hexua8 + hpo3 + (methyl + acetyl - lcbus)2 +
	nma3 + (lcbc2+1) - sod - pot - (pol * charge); // H		nma3 + (lcbc2+1) + nh43 - sod - pot + (pol charge); // H
	if(fac != 0)		if(fac != 0)
	formulaNums[1] = formulaNums[1] + (fac-1)2 - faus2;		formulaNums[1] = formulaNums[1] + (fac-1)2 - faus2;
Line 155:		Line 155:
	if(fac != 0)		if(fac != 0)
	formulaNums[2] = formulaNums[2] + 1 + faoh;		formulaNums[2] = formulaNums[2] + 1 + faoh;
	formulaNums[3] = 1 + hexnac + neuac + neugc + nma; // N		formulaNums[3] = 1 + hexnac + neuac + neugc + nh4 + nma; // N
	formulaNums[4] = so3; // S		formulaNums[4] = so3; // S
	formulaNums[5] = hpo3; // P		formulaNums[5] = hpo3; // P
	formulaNums[6] = sod; // Na		formulaNums[6] = sod; // Na
	formulaNums[7] = pot; // K		formulaNums[7] = pot; // K
	formulaNums[8] = cal; // Ca		// formulaNums[8] = cal; // Ca
	formulaNums[1] = formulaNums[1] - lactone*2;		formulaNums[1] = formulaNums[1] - lactone*2;
	formulaNums[2] = formulaNums[2] - lactone;		formulaNums[2] = formulaNums[2] - lactone;
Line 172:		Line 172:
	formula += checkFormulaNums('P', formulaNums[5]);		formula += checkFormulaNums('P', formulaNums[5]);
	formula += checkFormulaNums('S', formulaNums[4]);		formula += checkFormulaNums('S', formulaNums[4]);
	formula += checkFormulaNums('Ca', formulaNums[8]);		// formula += checkFormulaNums('Ca', formulaNums[8]);
	formula += checkFormulaNums('K', formulaNums[7]);		formula += checkFormulaNums('K', formulaNums[7]);
	formula += checkFormulaNums('Na', formulaNums[6]);		formula += checkFormulaNums('Na', formulaNums[6]);
Line 178:		Line 178:
	document.getElementById("cs_formula").value = formula;		document.getElementById("cs_formula").value = formula;


			var EXACT = {
			"C": 12.0,
			"H": 1.0078250322,
			"Li": 7.01600344,
			"O": 15.994914620,
			"N": 14.003074004,
			"S": 31.972071174,
			"P": 30.973761998,
			"Na": 22.98976928,
			"K": 38.96370649,
			"Ca": 39.9625909
			}
			var electron = 0.00054857990;
	// 質量計算		// 質量計算
	var mass = calculateMassFromFormula(formula, document.getElementById("cs_average").value === 'true');		// var mass = calculateMassFromFormula(formula, document.getElementById("cs_average").value === 'true');
			var mass = formulaNums[0] * EXACT["C"] + formulaNums[1] * EXACT["H"] + formulaNums[2] * EXACT["O"] +
			formulaNums[3] * EXACT["N"] + formulaNums[4] * EXACT["S"] + formulaNums[5] * EXACT["P"] +
			formulaNums[6] * EXACT["Na"] + formulaNums[7] * EXACT["K"];
	var nominal = formulaNums[0]12 +formulaNums[1] +formulaNums[2]16		var nominal = formulaNums[0]12 +formulaNums[1] +formulaNums[2]16
	+formulaNums[3]14 +formulaNums[4]32 +formulaNums[5]*31		+formulaNums[3]14 +formulaNums[4]32 +formulaNums[5]*31
	+formulaNums[6]23 +formulaNums[7]39 ~~+formulaNums[8]*40~~;		+formulaNums[6]23 +formulaNums[7]39;

	if(charge != 0 && pol != 0){		if(charge != 0 && pol != 0){
	mass /= charge;		if(pol > 0)
			mass = mass / charge - electron;
			else if(pol < 0)
			mass = mass / charge + electron;
	nominal /= charge;		nominal /= charge;
	}		}

Jcblmaster at 03:51, 5 June 2017

2017-06-05T03:51:42Z

← Older revision		Revision as of 12:51, 5 June 2017
Line 79:		Line 79:
	function switchCharge()		function switchCharge()
	{		{
	var ~~disabled~~ = document.getElementById("cs_polarity").selectedIndex == 0;		var display = document.getElementById("cs_polarity").selectedIndex == 0 ? 'none' : 'block';
	document.getElementById("~~cs_charge~~").~~disabled~~ = ~~disabled~~;		document.getElementById("div_charge").style.cssText = 'display: ' + display;
	}		}
	function checkCharge()		function checkCharge()
Line 179:		Line 179:

	// 質量計算		// 質量計算
	var mass = calculateMassFromFormula(formula, document.getElementById("cs_average").~~selectedIndex~~==0);		var mass = calculateMassFromFormula(formula, document.getElementById("cs_average").value === 'true');
	var nominal = formulaNums[0]12 +formulaNums[1] +formulaNums[2]16		var nominal = formulaNums[0]12 +formulaNums[1] +formulaNums[2]16
	+formulaNums[3]14 +formulaNums[4]32 +formulaNums[5]*31		+formulaNums[3]14 +formulaNums[4]32 +formulaNums[5]*31
	+formulaNums[6]23 +formulaNums[7]39 +formulaNums[8]*40;		+formulaNums[6]23 +formulaNums[7]39 +formulaNums[8]*40;
	if(charge != 0){		if(charge != 0 && pol != 0){
	mass /= charge;		mass /= charge;
	nominal /= charge;		nominal /= charge;

Jcblmaster at 04:50, 31 May 2017

2017-05-31T04:50:08Z

← Older revision		Revision as of 13:50, 31 May 2017
Line 3:		Line 3:
	function GlycosphingolipidMassCalculator_init()		function GlycosphingolipidMassCalculator_init()
	{		{
			// recalculate
			document.getElementById("cs_average").onchange = function(){
			calculateGlycosphingolipid();
			}
	// setLactoneMax		// setLactoneMax
	document.getElementById("cs_neuac").onchange = function(){		document.getElementById("cs_neuac").onchange = function(){

Jcblmaster: Created page with "addOnloadHook(GlycosphingolipidMassCalculator_init); function GlycosphingolipidMassCalculator_init() { // setLactoneMax document.getElementById("cs_neuac").onchange = func..."

2017-04-24T00:53:21Z

Created page with "addOnloadHook(GlycosphingolipidMassCalculator_init); function GlycosphingolipidMassCalculator_init() { // setLactoneMax document.getElementById("cs_neuac").onchange = func..."

New page

addOnloadHook(GlycosphingolipidMassCalculator_init);

function GlycosphingolipidMassCalculator_init()
{
// setLactoneMax
document.getElementById("cs_neuac").onchange = function(){
setLactoneMax();
}
document.getElementById("cs_neugc").onchange = function(){
setLactoneMax();
}
document.getElementById("cs_hexua").onchange = function(){
setLactoneMax();
}
document.getElementById("cs_lactone").onchange = function(){
setLactoneMax();
}
// setFattyAcidMax
document.getElementById("cs_fa_carbonno").onchange = function(){
setFattyAcidMax();
}
document.getElementById("cs_fa_unsaturation").onchange = function(){
setFattyAcidMax();
}
document.getElementById("cs_fa_hydroxygroup").onchange = function(){
setFattyAcidMax();
}
// Polarity
document.getElementById("cs_polarity").onchange = function(){
switchCharge();
}
document.getElementById("cs_charge").onchange = function(){
checkCharge();
}
// calculate button
document.getElementById("calculate_glycosphingolipid_button").onclick = function(){
calculateGlycosphingolipid();
}
}
function setLactoneMax()
{
var neuac = getGlycosphingolipidNum("cs_neuac", 0);
var hexua = getGlycosphingolipidNum("cs_hexua", 0);
var neugc = getGlycosphingolipidNum("cs_neugc", 0);
var lactoneMax = neuac + hexua + neugc;

var lactone = document.getElementById("cs_lactone");
lactone.max = lactoneMax;
if(lactoneMax < lactone.value)
lactone.value = lactoneMax;
}
function setFattyAcidMax()
{
var saturationDOM = document.getElementById("cs_fa_unsaturation");
var hydroxyDOM = document.getElementById("cs_fa_hydroxygroup");
var carbonno = getGlycosphingolipidNum("cs_fa_carbonno", 0);
if(carbonno < 3){
saturationDOM.max = 0;
saturationDOM.value = '0';
} else {
saturationDOM.max = carbonno-2;
var saturation = getGlycosphingolipidNum("cs_fa_unsaturation", 0);
if(carbonno-2 < saturation)
saturationDOM.value = carbonno-2;
}
if(carbonno < 2)
hydroxyDOM.value = '0';
else {
hydroxyDOM.max = carbonno-1;
var hydroxy = getGlycosphingolipidNum("cs_fa_hydroxygroup", 0);
if(carbonno-1 < hydroxy)
hydroxyDOM.value = carbonno-1;
}
}
function switchCharge()
{
var disabled = document.getElementById("cs_polarity").selectedIndex == 0;
document.getElementById("cs_charge").disabled = disabled;
}
function checkCharge()
{
var charge = Number(document.getElementById("cs_charge").value);
if(charge == 0)
charge = 1;
else if(charge < 0)
charge = -charge;
document.getElementById("cs_charge").value = charge;
}
function getGlycosphingolipidNum(id, min)
{
var dom = document.getElementById(id);
var num = dom.value;
if(isFinite(num) && num >= min)
return Number(num);
dom.value = min;
return 0;
}
function checkFormulaNums(atom, count)
{
var str = "";
if(count > 0){
str = atom;
if(count > 1)
str += count;
}
return str;
}
function calculateGlycosphingolipid()
{
var hexose = getGlycosphingolipidNum("cs_hexose", 0);
var fucose = getGlycosphingolipidNum("cs_fucose", 0);
var hexua = getGlycosphingolipidNum("cs_hexua", 0);
var hexnac = getGlycosphingolipidNum("cs_hexnac", 0);
var neuac = getGlycosphingolipidNum("cs_neuac", 0);
var neugc = getGlycosphingolipidNum("cs_neugc", 0);
var methyl = getGlycosphingolipidNum("cs_methyl", -99);
var acetyl = getGlycosphingolipidNum("cs_acetyl", -99);
var nma = getGlycosphingolipidNum("cs_nmethylamide", 0);
var fac = getGlycosphingolipidNum("cs_fa_carbonno", 0);
var faus = getGlycosphingolipidNum("cs_fa_unsaturation", 0);
var faoh = getGlycosphingolipidNum("cs_fa_hydroxygroup", 0);
var lcbc = getGlycosphingolipidNum("cs_lcb_carbonno", 0);
var lcbus = getGlycosphingolipidNum("cs_lcb_unsaturation", 0);
var lcboh = getGlycosphingolipidNum("cs_lcb_hydroxygroup", 0);
var hpo3 = getGlycosphingolipidNum("cs_phosphate", 0);
var cal = getGlycosphingolipidNum("cs_ca", 0);
var sod = getGlycosphingolipidNum("cs_na", 0);
var pot = getGlycosphingolipidNum("cs_k", 0);
var so3 = getGlycosphingolipidNum("cs_sulfate", 0);
var lactone = getGlycosphingolipidNum("cs_lactone", 0);
var charge = getGlycosphingolipidNum("cs_charge", 0);

var pol = document.getElementById("cs_polarity").value;
switch(pol){
case 'NON': pol = 0; break;
case 'NEG': pol = 1; break;
case 'POS': pol = -1; break;
}

// struct formula
var formulaNums = [];
formulaNums[0] = (hexose + fucose + hexua)*6 + hexnac*8 + (neuac + neugc)*11 +
methyl + acetyl*2 + nma + fac + lcbc; // C
formulaNums[1] = 2 + (hexose + fucose)*10 + hexnac*13 + (neuac + neugc)*17 +
hexua*8 + hpo3 + (methyl + acetyl - cal - lcbus)*2 +
nma*3 + (lcbc*2+1) - sod - pot - (pol * charge); // H
if(fac != 0)
formulaNums[1] = formulaNums[1] + (fac-1)*2 - faus*2;
formulaNums[2] = 1 + (hexose + hexnac)*5 + fucose*4 + neuac*8 + neugc*9 +
hexua*6 + (so3 + hpo3)*3 + acetyl - nma + (lcboh-1); // O
if(fac != 0)
formulaNums[2] = formulaNums[2] + 1 + faoh;
formulaNums[3] = 1 + hexnac + neuac + neugc + nma; // N
formulaNums[4] = so3; // S
formulaNums[5] = hpo3; // P
formulaNums[6] = sod; // Na
formulaNums[7] = pot; // K
formulaNums[8] = cal; // Ca
formulaNums[1] = formulaNums[1] - lactone*2;
formulaNums[2] = formulaNums[2] - lactone;

var formula = 'C' + formulaNums[0];
formula += 'H' + formulaNums[1];
formula += 'N';
if(formulaNums[3] > 1)
formula += formulaNums[3];
formula += checkFormulaNums('O', formulaNums[2]);
formula += checkFormulaNums('P', formulaNums[5]);
formula += checkFormulaNums('S', formulaNums[4]);
formula += checkFormulaNums('Ca', formulaNums[8]);
formula += checkFormulaNums('K', formulaNums[7]);
formula += checkFormulaNums('Na', formulaNums[6]);

document.getElementById("cs_formula").value = formula;

// 質量計算
var mass = calculateMassFromFormula(formula, document.getElementById("cs_average").selectedIndex==0);
var nominal = formulaNums[0]*12 +formulaNums[1] +formulaNums[2]*16
+formulaNums[3]*14 +formulaNums[4]*32 +formulaNums[5]*31
+formulaNums[6]*23 +formulaNums[7]*39 +formulaNums[8]*40;
if(charge != 0){
mass /= charge;
nominal /= charge;
}
if(Math.floor(nominal) == nominal)
nominal = nominal.toFixed(0);
else
nominal = nominal.toFixed(2);
document.getElementById("cs_mass").value = mass.toFixed(6);
document.getElementById("cs_nominalmass").value = nominal;
}