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demo.html
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demo.html
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<!DOCTYPE html PUBLIC "-//W3C//DTD XHTML 1.0 Transitional//EN"
"http://www.w3.org/TR/xhtml1/DTD/xhtml1-transitional.dtd">
<html xmlns="http://www.w3.org/1999/xhtml" xml:lang="en" lang="en">
<head>
<meta http-equiv="Content-Type" content="text/html; charset=UTF-8" />
<meta http-equiv="X-UA-Compatible" content="IE=edge" />
<script type="text/javascript" src="prototype-min.js"></script>
<script type="text/javascript">
function getKetcher()
{
var frame = null;
if ('frames' in window && 'ketcherFrame' in window.frames)
frame = window.frames['ketcherFrame'];
else
return null;
if ('window' in frame)
return frame.window.ketcher;
}
function getSmiles()
{
var ketcher = getKetcher();
if (ketcher)
$('textarea').value = ketcher.getSmiles();
}
function getMolfile()
{
var ketcher = getKetcher();
if (ketcher)
$('textarea').value = ketcher.getMolfile();
}
var row = 1;
function render()
{
var molfile = $('textarea').value;
var smiles = molfile.strip();
if (smiles == '' || smiles.indexOf('\n') == -1)
{
alert("Please, input Molfile");
return;
}
var renderOpts = {
'autoScale':true,
'debug':true,
'autoScaleMargin':20,
'ignoreMouseEvents':true
};
var newRow = new Element('tr');
newRow.update('<td id="row' + row + '" style="width:100%;height:100px;padding:0px;"></td>');
$('table').insert(newRow);
var ketcher = getKetcher();
rowObject = $('row' + row);
//alert(rowObject['clientWidth']);
//rowObject.innerHTML = "asdasdf";
if (ketcher.showMolfileOpts(rowObject, molfile, 20, renderOpts))
row++;
}
function loadStructure ()
{
var ketcher = getKetcher();
ketcher.setMolecule($('textarea').value);
}
function loadFragment ()
{
var ketcher = getKetcher();
ketcher.addFragment($('textarea').value);
}
function loadMol ()
{
initialMolecule =
[
"",
" Ketcher 02151213522D 1 1.00000 0.00000 0",
"",
" 6 6 0 0 0 999 V2000",
" -1.1750 1.7500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0",
" -0.3090 1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0",
" -0.3090 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0",
" -1.1750 -0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0",
" -2.0410 0.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0",
" -2.0410 1.2500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0",
" 1 2 1 0 0 0",
" 2 3 2 0 0 0",
" 3 4 1 0 0 0",
" 4 5 2 0 0 0",
" 5 6 1 0 0 0",
" 6 1 2 0 0 0",
"M END"
].join("\n");
var ketcher = getKetcher();
ketcher.setMolecule(initialMolecule);
}
</script>
<title>Ketcher demo</title>
</head>
<body>
<div style="width:80%;padding:0px;margin:auto;">
<div>
<h1>Ketcher example</h1>
<iframe onload="loadMol()" id="ketcherFrame" name="ketcherFrame" style="min-width:910px;min-height:510px;width:100%;border-style:none" src="ketcher.html?ketcher_maximize" scrolling="no"></iframe>
<div>
<h1>Ketcher interaction example</h1>
<textarea id="textarea" wrap="off" style="width:40%;height:300px;float:left;border-style:solid;border-width:thin;border-color:black;overflow:auto;"></textarea>
<div style="width:40%;height:300px;float:right;border-style:solid;border-width:thin;border-color:black;overflow:auto;">
<table id="table" style="width:100%">
</table>
</div>
<input type="button" style="margin:10px" value="Get SMILES" onclick="getSmiles()"></input><br/>
<input type="button" style="margin:10px" value="Get Molfile" onclick="getMolfile()"></input><br/>
<input type="button" style="margin:10px" value="Render Row" onclick="render()"></input>-><br/>
<input type="button" style="margin:10px" value="Load structure" onclick="loadStructure()"></input><br/>
<input type="button" style="margin:10px" value="Load fragment" onclick="loadFragment()"></input><br/>
</div>
</div>
</div>
</body>
</html>