Created
July 1, 2012 21:17
-
-
Save EvanZ/3029682 to your computer and use it in GitHub Desktop.
drawing chemical structure with d3.js
This file contains hidden or bidirectional Unicode text that may be interpreted or compiled differently than what appears below. To review, open the file in an editor that reveals hidden Unicode characters.
Learn more about bidirectional Unicode characters
| <!DOCTYPE html> | |
| <html> | |
| <head> | |
| <script type="text/javascript" src="http://mbostock.github.com/d3/d3.v2.js"></script> | |
| <style type="text/css"> | |
| .link { | |
| fill: steelblue; | |
| stroke: lightgray; | |
| stroke-width: 2px; | |
| } | |
| .node circle { | |
| stroke: solid black 1px; | |
| } | |
| .node text { | |
| pointer-events: none; | |
| font: 14px sans-serif; | |
| color: blue; | |
| } | |
| </style> | |
| </head> | |
| <body> | |
| <script> | |
| var w=300, | |
| h=300, | |
| fill = d3.scale.category20(), | |
| nodes = [ | |
| {"atom":"C", "size":12}, | |
| {"atom":"C", "size":12}, | |
| {"atom":"C", "size":12}, | |
| {"atom":"N", "size":7}, | |
| {"atom":"H", "size":1}, | |
| {"atom":"O", "size":16}, | |
| {"atom":"O", "size":16}, | |
| {"atom":"H", "size":1}, | |
| {"atom":"H", "size":1}, | |
| {"atom":"H", "size":1}, | |
| {"atom":"H", "size":1}, | |
| {"atom":"H", "size":1}, | |
| {"atom":"H", "size":1} | |
| ], | |
| links = [ | |
| {"source":0, "target":1}, | |
| {"source":1, "target":2}, | |
| {"source":1, "target":3}, | |
| {"source":2, "target":5}, | |
| {"source":2, "target":6}, | |
| {"source":1, "target":4}, | |
| {"source":3, "target":10}, | |
| {"source":3, "target":11}, | |
| {"source":0, "target":7}, | |
| {"source":0, "target":8}, | |
| {"source":0, "target":9}, | |
| {"source":5, "target":12} | |
| ], | |
| vis = d3.select("body").append("svg") | |
| .attr("width", w) | |
| .attr("height", h), | |
| force = d3.layout.force() | |
| .nodes(nodes) | |
| .links(links) | |
| .charge(-1500) | |
| .friction(0.8) | |
| .gravity(0.5) | |
| .size([w,h]) | |
| .start(), | |
| link = vis.selectAll("line") | |
| .data(links) | |
| .enter() | |
| .append("line") | |
| .attr("class","link"), | |
| node = vis.selectAll(".node") | |
| .data(nodes) | |
| .enter() | |
| .append("g") | |
| .attr("class","node") | |
| .call(force.drag); | |
| node.append("circle") | |
| .attr("r", function(d) { | |
| return Math.pow(40*d.size,1/3); | |
| }) | |
| .attr("fill",function(d) { | |
| return fill(d.size); | |
| }) | |
| .attr("stroke","black") | |
| .attr("stroke-width",2); | |
| node.append("text") | |
| .attr("dx",function(d) { | |
| return Math.pow(40*d.size,1/3)+1; | |
| }) | |
| .attr("dy",".35em") | |
| .text(function(d) {return d.atom;}); | |
| force.on("tick", function() { | |
| link.attr("x1", function(d) { return d.source.x; }) | |
| .attr("y1", function(d) { return d.source.y; }) | |
| .attr("x2", function(d) { return d.target.x; }) | |
| .attr("y2", function(d) { return d.target.y; }); | |
| node.attr("transform", function(d) { | |
| return "translate(" + d.x + "," + d.y + ")"; | |
| }); | |
| }); | |
| </script> | |
| Chemical structure visualized using D3. | |
| </body> | |
| </html> |
Sign up for free
to join this conversation on GitHub.
Already have an account?
Sign in to comment