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Last active August 29, 2015 14:08
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Dynamic Molecules - Cytosine
{
"nodes": [
{"atom": "N", "size": 6, "color": "#0033CC"},
{"atom": "C", "size": 5, "color": "#272727"},
{"atom": "N", "size": 6, "color": "#0033CC"},
{"atom": "C", "size": 5, "color": "#272727"},
{"atom": "N", "size": 6, "color": "#0033CC"},
{"atom": "C", "size": 5, "color": "#272727"},
{"atom": "C", "size": 5, "color": "#272727"},
{"atom": "H", "size": 3, "color": "#E9E9E9"},
{"atom": "H", "size": 3, "color": "#E9E9E9"},
{"atom": "O", "size": 6, "color": "#FF1919"},
{"atom": "H", "size": 3, "color": "#E9E9E9"},
{"atom": "H", "size": 3, "color": "#E9E9E9"},
{"atom": "H", "size": 3, "color": "#E9E9E9"}
],
"links": [
{"source": 0, "target": 1, "bond": 1},
{"source": 1, "target": 2, "bond": 2},
{"source": 2, "target": 3, "bond": 1},
{"source": 3, "target": 4, "bond": 1},
{"source": 4, "target": 5, "bond": 1},
{"source": 5, "target": 6, "bond": 2},
{"source": 6, "target": 1, "bond": 1},
{"source": 7, "target": 0, "bond": 1},
{"source": 8, "target": 0, "bond": 1},
{"source": 9, "target": 3, "bond": 2},
{"source": 10, "target": 4, "bond": 1},
{"source": 11, "target": 5, "bond": 1},
{"source": 12, "target": 6, "bond": 1}
]
}
<!DOCTYPE html>
<meta charset="utf-8">
<style>
.link line {
stroke: #000000;
stroke-opacity: 0.7;
stroke-width:1.5;
}
.link line.separator {
stroke: #fff;
stroke-width: 2px;
}
.node circle {
stroke: #000;
stroke-width: 3px;
}
.node text {
font: 14px sans-serif;
pointer-events: none;
}
</style>
<script src="http://d3js.org/d3.v3.min.js"></script>
<body>
<div id="chart"></div>
<script>
var margin = {top: -5, right: -5, bottom: -5, left: -5};
var width = 550 - margin.left - margin.right,
height = 350- margin.top - margin.bottom,
r = 15;
var radius = d3.scale.sqrt()
.range([0, 6]);
var svg = d3.select("body").append("svg")
.attr("width", width)
.attr("height", height);
var vis = d3.select("#chart")
.append("svg:svg")
.attr("width", width)
.attr("height", height)
.append('svg:g');
vis.append('svg:rect')
.attr('width', width)
.attr('height', height)
.attr('fill', 'white');
d3.json("cytosine.json", function(graph) {
var force = d3.layout.force()
.nodes(graph.nodes)
.size([width + margin.left + margin.right, height + margin.top + margin.bottom])
.links(graph.links)
.charge(-350)
.gravity(0.15)
.linkDistance(20)
.on("tick", tick)
.start();
var link = vis.selectAll(".link")
.data(graph.links)
.enter().append("g")
.attr("class", "link");
link.append("line")
.style("stroke-width", function(d) { return (d.bond * 3 - 1) * 2 + "px"; });
link.filter(function(d) { return d.bond > 1; }).append("line")
.attr("class", "separator");
var node = vis.selectAll(".node")
.data(graph.nodes)
.enter().append("circle")
.attr("class", "node")
.call(force.drag)
.style("fill", function(d) { return d.color; })
.attr("r", function(d) { return radius(d.size); })
.style("stroke", "black")//function(d) {return d3.rgb(d.color).darker(); })
.style("stroke-width", 3)
.style("stroke-opacity", 0.9);
node.append("text")
.attr("dy", ".35em")
.attr("text-anchor", "middle")
.text(function(d) { return d.atom; })
.style("fill", function(d) { return d.color; });
function tick() {
link.selectAll("line")
.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("cx", function(d) { return d.x = Math.max(r, Math.min(width - r, d.x)); })
.attr("cy", function(d) { return d.y = Math.max(r, Math.min(height - r, d.y)); })
node.each(collide(0.5))
}
var padding = 1;
function collide(alpha) {
var quadtree = d3.geom.quadtree(graph.nodes);
return function(d) {
var rb = 2*radius + padding,
nx1 = d.x - rb,
nx2 = d.x + rb,
ny1 = d.y - rb,
ny2 = d.y + rb;
quadtree.visit(function(quad, x1, y1, x2, y2) {
if (quad.point && (quad.point !== d)) {
var x = d.x - quad.point.x,
y = d.y - quad.point.y,
l = Math.sqrt(x * x + y * y);
if (l < rb) {
l = (l - rb) / l * alpha;
d.x -= x *= l;
d.y -= y *= l;
quad.point.x += x;
quad.point.y += y;
}
}
return x1 > nx2 || x2 < nx1 || y1 > ny2 || y2 < ny1;
});
};
}
});
</script>
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