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Merge branch 'development' of git://github.com/novakps/kemia into dev…
…elopment
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@@ -5,4 +5,5 @@ docs/*.css | |
| docs/symbols | ||
| .project | ||
| build/* | ||
| *~ | ||
| *~ | ||
| .DS_Store | ||
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| Original file line number | Diff line number | Diff line change |
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| @@ -1,116 +1,36 @@ | ||
| <!DOCTYPE html PUBLIC "-//W3C//DTD HTML 4.01 Transitional//EN" "http://www.w3.org/TR/html4/loose.dtd"> | ||
| <html> | ||
| <head> | ||
| <meta http-equiv="Content-Type" content="text/html; charset=UTF-8"> | ||
| <title>Kemia Demo</title> | ||
| <!-- | ||
| <script src="build/kemia-advanced.js"></script> | ||
| <script src="build/kemia-simple.js"></script> | ||
| --> | ||
| <script src="build/kemia-whitespace-only.js"></script> | ||
| <script src="kemia/io/json_test_rxn.js"></script> | ||
| <script src="kemia/io/io_test_molsample2.js"></script> | ||
|
|
||
| <link rel="stylesheet" href="css/kemia.css" /> | ||
| <link rel="stylesheet" href="css/demo.css" /> | ||
|
|
||
| <script> | ||
| function initPage(){ | ||
|
|
||
| // uncomment next two lines to debug to console | ||
| //var c = new goog.debug.Console(); | ||
| //c.setCapturing(true); | ||
|
|
||
| var toolbar = kemia.controller.DefaultToolbar.makeDefaultToolbar(goog.dom.getElement('reactionEditorToolbar')); | ||
| var model = kemia.io.json.readReaction(reactionDrawing); | ||
| model.reagentsText = "NaOH"; | ||
| model.conditionsText = "90" + String.fromCharCode(186) +"C"; | ||
| var editor = new kemia.controller.ReactionEditor(goog.dom.getElement('reactionEditorContainer'),{background : {color : 'white'}}); | ||
| editor.registerPlugin(new kemia.controller.plugins.Move()); | ||
| editor.registerPlugin(new kemia.controller.plugins.ClearEditor()); | ||
| editor.registerPlugin(new kemia.controller.plugins.Zoom()); | ||
| editor.registerPlugin(new kemia.controller.plugins.UndoRedo()); | ||
| editor.registerPlugin(new kemia.controller.plugins.Erase()); | ||
| editor.registerPlugin(new kemia.controller.plugins.AtomEdit()); | ||
| editor.registerPlugin(new kemia.controller.plugins.BondEdit()); | ||
| editor.registerPlugin(new kemia.controller.plugins.ArrowPlusEdit()); | ||
| editor.registerPlugin(new kemia.controller.plugins.MoleculeEdit()); | ||
| <head> | ||
|
|
||
| var toolbarController = new kemia.controller.ToolbarController(editor, toolbar); | ||
| editor.setModels([model]); | ||
| var sdfs = sdf.split("$$$$\n"); | ||
| var mol_renderer = new kemia.controller.ReactionEditor(goog.dom.getElement('moleculeContainer'),{background : {color : 'white'}}); | ||
|
|
||
| var select1 = new goog.ui.Select(); | ||
| select1.addItem(new goog.ui.MenuItem('1', 1)); | ||
| select1.addItem(new goog.ui.MenuItem('2', 2)); | ||
| select1.addItem(new goog.ui.MenuItem('3 (bucky ball)', 3)); | ||
| select1.addItem(new goog.ui.MenuItem('4', 4)); | ||
| select1.addItem(new goog.ui.MenuItem('5', 5)); | ||
| select1.addItem(new goog.ui.MenuItem('6', 6)); | ||
| select1.addItem(new goog.ui.MenuItem('7', 7)); | ||
| select1.addItem(new goog.ui.MenuItem('8', 8)); | ||
| select1.addItem(new goog.ui.MenuItem('9', 9)); | ||
| select1.addItem(new goog.ui.MenuItem('10', 10)); | ||
| select1.addItem(new goog.ui.MenuItem('11 (not too large now!)', 11)); | ||
| select1.addItem(new goog.ui.MenuItem('12', 12)); | ||
|
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| select1.setSelectedIndex(0); | ||
| select1.render(goog.dom.getElement('selectMolecule')); | ||
|
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||
| goog.events.listen(select1, goog.ui.Component.EventType.ACTION, | ||
| function(e) { | ||
| var timer = goog.now(); | ||
| var select = e.target; | ||
| var idx = select.getValue(); | ||
| var molfile=sdfs[idx]; | ||
| var mol=kemia.io.mdl.readMolfile(molfile); | ||
| mol_renderer.setModels([mol]); | ||
| goog.dom.setTextContent(goog.dom.getElement('perf'), (goog.now() - timer) + 'ms'); | ||
| }); | ||
|
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|
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|
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| <script src="http://localhost:9810/compile?id=api"></script> | ||
| <script> | ||
| function initPage(){ | ||
|
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| var smiles = 'N[C@@H](CCC(=O)N[C@@H](CSSC[C@H](NC(=O)CC[C@H](N)C(O)=O)C(=O)NCC(O)=O)C(=O)NCC(O)=O)C(O)=O'; | ||
| var mol=kemia.io.smiles.SmilesParser.parse(smiles); | ||
| kemia.layout.CoordinateGenerator.generate(mol); | ||
| var renderer = new kemia.controller.ReactionEditor(goog.dom.getElement('kemia')); | ||
| renderer.setModels([mol]); | ||
| } | ||
| addLoadEvent(initPage); | ||
| function addLoadEvent(func) { | ||
| var oldonload = window.onload; | ||
| if (typeof window.onload != 'function') { | ||
| window.onload = func; | ||
| } else { | ||
| window.onload = function() { | ||
| if (oldonload) { | ||
| oldonload(); | ||
| } | ||
| func(); | ||
| } | ||
| } | ||
| } | ||
| </script> | ||
| </head> | ||
| <body > | ||
|
|
||
| }; | ||
| </script> | ||
| </head> | ||
|
|
||
| <body onload="initPage();"> | ||
| <h1>Reaction Editor</h1> | ||
| <fieldset> | ||
| <legend>Demo:</legend> | ||
| <table style="width: 100%"> | ||
| <tr> | ||
| <td> | ||
| <div id="reactionEditorToolbar"></div> | ||
| </td> | ||
| </tr> | ||
| <tr> | ||
| <td> | ||
| <div | ||
| style="width: 1000px; height: 400px; overflow: auto; padding: 5px"> | ||
| <div id="reactionEditorContainer" style="width: 1000px; height: 400px"></div> | ||
| </div> | ||
| </td> | ||
| </tr> | ||
|
|
||
| </table> | ||
|
|
||
| </fieldset> | ||
| <h1>Molecule Renderer</h1> | ||
| <fieldset> | ||
| <legend>Demo:</legend> | ||
| <br> | ||
| <label id="selectMolecule">Select a molecule to render: </label> | ||
| <br> | ||
|
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||
| <br> | ||
| <div id="moleculeContainer" style="width: 600px; height: 600px"></div> | ||
| <br> | ||
| </fieldset> | ||
| <div id="perf"></div> | ||
| <br> | ||
|
|
||
| </body> | ||
| </html> | ||
| <fieldset> <legend>Glutathione disulphide</legend> | ||
| <div id="kemia" style="width: 100%; height: 400px"></div> | ||
| </fieldset> | ||
| </body> | ||
| </html> |
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| Original file line number | Diff line number | Diff line change |
|---|---|---|
| @@ -1,35 +1,41 @@ | ||
| <!DOCTYPE html PUBLIC "-//W3C//DTD HTML 4.01 Transitional//EN" "http://www.w3.org/TR/html4/loose.dtd"> | ||
| <html> | ||
| <head> | ||
| <meta http-equiv="Content-Type" content="text/html; charset=UTF-8"> | ||
| <meta http-equiv="X-UA-Compatible" content="IE=EmulateIE7; IE=EmulateIE9" /> | ||
| <title>kemia.controller.ReactionEditor</title> | ||
|
|
||
| <script src="http://localhost:9810/compile?id=api"></script> | ||
|
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|
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| <link rel="stylesheet" href="../../css/kemia.css" /> | ||
| <link rel="stylesheet" href="../../css/demo.css" /> | ||
|
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|
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||
| </head> | ||
| <body> | ||
|
|
||
| <fieldset> | ||
| <legend><h1>Reaction Editor</h1></legend> | ||
| <table style="width: 100%"> | ||
| <tr> | ||
| <td> | ||
| <div id="reactionEditorToolbar"></div> | ||
| <div | ||
| style="width: 1000px; height: 400px; overflow: auto; padding: 5px"> | ||
| <div id="reactionEditorContainer" style="width: 1000px; height: 400px"> | ||
| </td> | ||
| </tr> | ||
|
|
||
| </table> | ||
|
|
||
| </fieldset> | ||
|
|
||
| </body> | ||
| <html > | ||
| <head > | ||
| <meta http - equiv = "Content-Type"content = "text/html; charset=utf-8" > | ||
| <title > | ||
| kemia.controller.ReactionEditor | ||
| </title> | ||
| <script src="http://localhost:9810/compile?id=controller_reaction_editor_demo" ></script> | ||
| <script> | ||
| (function() { | ||
| window.onload = function() { | ||
| kemia.controller.ReactioneEditorDemo.initPage(); | ||
| window.onload = null; | ||
| }; | ||
| })(); | ||
| </script> | ||
| <link rel="stylesheet "href="../../css/kemia.css" type="text/css"> | ||
| <link rel="stylesheet "href="../../css/demo.css" type="text/css"> | ||
| </head> | ||
| <body> | ||
| <fieldset> | ||
| <h1> | ||
| <legend>Reaction Editor</legend> | ||
| </h1> | ||
| <table style="width: 100 % "> | ||
| <tr> | ||
| <td> | ||
| <div id="reactionEditorToolbar"></div> | ||
| <div style="width: 1000px; | ||
| height: 400px; | ||
| overflow: auto; | ||
| padding: 5px "> | ||
| <div id="reactionEditorContainer" style="width: 1000px; height: 400px "></div> | ||
| </div> | ||
| </td> | ||
| </tr> | ||
| </table> | ||
| </fieldset> | ||
| </body> | ||
| </html> | ||
| " |
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| Original file line number | Diff line number | Diff line change |
|---|---|---|
| @@ -0,0 +1,28 @@ | ||
|
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||
| goog.require('kemia.model.Arrow'); | ||
| goog.require('goog.dom'); | ||
| goog.require('goog.graphics'); | ||
| goog.require('kemia.view.ArrowRenderer'); | ||
| goog.require('kemia.graphics.AffineTransform'); | ||
| goog.require('goog.math.Coordinate'); | ||
| goog.require('goog.events'); | ||
| goog.require('goog.events.EventType'); | ||
|
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| function initPage(){ | ||
| var element = goog.dom.getElement('container') | ||
| var graphics = goog.graphics.createGraphics(element.clientWidth, | ||
| element.clientHeight); | ||
| graphics.render(element); | ||
| var pr = new kemia.view.ArrowRenderer( graphics); | ||
| var trans = new kemia.graphics.AffineTransform(30,0,0,-30,0,0); | ||
| pr.render(new kemia.model.Arrow(new goog.math.Coordinate(6, -4), new goog.math.Coordinate(10, -4), kemia.model.Arrow.STYLES.FORWARD, "chicken soup with rice", "really, really, really, hot"), trans); | ||
| pr.render(new kemia.model.Arrow(new goog.math.Coordinate(10, -6), new goog.math.Coordinate(8, -8), kemia.model.Arrow.STYLES.FORWARD, "",""), trans); | ||
| pr.render(new kemia.model.Arrow(new goog.math.Coordinate(8, -6), new goog.math.Coordinate(10, -8), kemia.model.Arrow.STYLES.FORWARD, "",""), trans); | ||
| var a = new kemia.model.Arrow(new goog.math.Coordinate(1, -6), new goog.math.Coordinate(3, -9), kemia.model.Arrow.STYLES.FORWARD, "aaaaa","xxxxx") ; | ||
| pr.render(a, trans); | ||
| pr.highlightOn(a); | ||
| pr.render(new kemia.model.Arrow(new goog.math.Coordinate(1, -3), new goog.math.Coordinate(3, 0), kemia.model.Arrow.STYLES.FORWARD,"some reagent","condition, conditions"), trans); | ||
| }; | ||
|
|
||
| goog.events.listen(window, goog.events.EventType.LOAD, initPage); | ||
|
|
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| Original file line number | Diff line number | Diff line change |
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| @@ -0,0 +1,11 @@ | ||
| { | ||
| "id":"arrow_renderer_demo", | ||
| "paths":[".", "../model", "../math", "../graphics"], | ||
| "inputs":"arrow_renderer_demo.js", | ||
| "level": "VERBOSE", | ||
| "mode" : "ADVANCED", | ||
| "define": { | ||
| "goog.DEBUG": false | ||
| }, | ||
| "debug": false | ||
| } |
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