dist/JSME_inchi_direct.html at main · reese-lee1/dist · GitHub

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<html>

<head>
    <script>
        var JSApplet = {};
        JSApplet.Inchi = {};

        function computeInchi(mol) {
            var result;
            var tmp_function_name = "__local_ff";
            JSApplet.Inchi[tmp_function_name] = function (inchi_result) {
                result = inchi_result
            };
            JSApplet.Inchi.computeInchi(mol, "JSApplet.Inchi." + tmp_function_name);
            delete JSApplet.Inchi[tmp_function_name];

            return result;
        }

    </script>
    <script language="javascript" src="jsme/96E40B969193BD74B8A621486920E79C.cache.js" type="text/javascript"></script>
    <script>

        function inchiExample() {
            var benzene = "c1ccccc1\n" +
                "JME 2017-11-16 Mon May 14 20:40:26 GMT+200 2018\n" +
                "\n" +
                "  6  6  0  0  0  0  0  0  0  0999 V2000\n" +
                "    2.4249    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n" +
                "    2.4249    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n" +
                "    1.2124    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n" +
                "    0.0000    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n" +
                "    0.0000    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n" +
                "    1.2124    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0\n" +
                "  1  2  1  0  0  0  0\n" +
                "  2  3  2  0  0  0  0\n" +
                "  3  4  1  0  0  0  0\n" +
                "  4  5  2  0  0  0  0\n" +
                "  5  6  1  0  0  0  0\n" +
                "  6  1  2  0  0  0  0\n" +
                "M  END";
            var result = computeInchi(benzene);
            console.log(result);
            var text = "";
            Object.keys(result).forEach(function (k) {
                text += k + ": " + result[k] + "<br>\n"
            });
            document.getElementById("inchi").innerHTML = text;
        }
    </script>
</head>

<body>

<br>
<button onclick="inchiExample()">Compute InChi of benzene</button>
<div id="inchi"></div>
</body>
</html>