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// $Id$
//
// Copyright (C) 2009 Greg Landrum
//
// @@ All Rights Reserved @@
//
var LINE=1;
var WEDGE=2;
var ATOM=3;
var BOUNDS=4;
var RESOLUTION=5;
var END=-1;
var elemDict={
6:"rgb(0,0,0)",
7:"rgb(0,0,255)",
8:"rgb(255,0,0)",
9:"rgb(51,204,204)",
15:"rgb(255,128,0)",
16:"rgb(204,204,0)",
17:"rgb(0,204,0)",
35:"rgb(128,77,26)",
0:"rgb(128,128,128)",
}
function DrawMol(canvasId,molData){
if(molData.length<7){
alert("data too short");
return;
}
var canvas = document.getElementById(canvasId);
var ctx = canvas.getContext('2d');
ctx.restore();
ctx.clearRect(0,0,canvas.width,canvas.height); // clear canvas
if(molData[0]!=RESOLUTION || molData[1]<=0) {
alert("no resolution data!")
return;
}
var dotsPerAngstrom=molData[1];
if(molData[2]!=BOUNDS ){
alert("no bounds data!")
return;
}
var minx=molData[3];
var miny=molData[4];
var maxx=molData[5];
var maxy=molData[6];
// we use the canvas to do our scaling and centering:
var xscale = canvas.width/(maxx-minx);
var yscale = canvas.height/(maxy-miny);
var cx,cy;
if(xscale>1){
// the mol is too small in the x direction to fill the canvas
var fraction = 1./xscale;
var unused = canvas.width*(1-fraction);
cx=unused/2-minx
xscale=1;
} else {
cx=-minx;
}
if(yscale>1){
// the mol is too small in the x direction to fill the canvas
var fraction = 1./yscale;
var unused = canvas.height*(1-fraction);
cy=unused/2-miny
yscale=1;
} else {
cy=-miny;
}
var scale;
if(xscale<yscale){
scale=xscale;
} else {
scale=yscale;
}
ctx.save();
ctx.translate(cx,cy);
ctx.scale(scale,scale);
ctx.font = "2em 'arial'";
var idx=7;
while(idx<molData.length){
var tag = molData[idx++];
if(tag==LINE){
var width=molData[idx++];
ctx.lineWidth=width;
var dashed=molData[idx++];
var n1=molData[idx++];
var c1 = elemDict[n1];
if(!c1) c1=elemDict[6];
var n2=molData[idx++];
var c2 = elemDict[n2];
if(!c2) c2=elemDict[6];
var x1=molData[idx++];
var y1=molData[idx++];
var x2=molData[idx++];
var y2=molData[idx++];
if(c1==c2){
ctx.beginPath();
ctx.strokeStyle=c1;
ctx.moveTo(x1,y1);
ctx.lineTo(x2,y2);
ctx.closePath();
ctx.stroke()
} else {
var mpx=x1+(x2-x1)/2;
var mpy=y1+(y2-y1)/2;
ctx.beginPath();
ctx.strokeStyle=c1;
ctx.moveTo(x1,y1);
ctx.lineTo(mpx,mpy);
ctx.closePath();
ctx.stroke()
ctx.beginPath();
ctx.strokeStyle=c2;
ctx.moveTo(mpx,mpy);
ctx.lineTo(x2,y2);
ctx.closePath();
ctx.stroke()
}
} else if(tag==WEDGE){
} else if(tag==ATOM){
var n1=molData[idx++];
var x1=molData[idx++];
var y1=molData[idx++];
var nChars=molData[idx++];
var symb="";
for(j=0;j<nChars;++j){
symb+=String.fromCharCode(molData[idx++]);
}
// not all canvas implementations have fillText
if(ctx.fillText){
if(symb!="C"){
var c1 = elemDict[n1];
if(!c1) c1=elemDict[6];
ctx.textAlign='center';
ctx.textBaseline='middle';
measure = ctx.measureText(symb);
ctx.beginPath();
ctx.fillStyle="rgb(255,255,255)";
ctx.arc(x1,y1,measure.width,0,6.3,0);
ctx.closePath();
ctx.fill();
ctx.beginPath();
ctx.fillStyle=c1;
ctx.fillText(symb,x1,y1);
ctx.closePath();
ctx.fill();
}
}
} else if(tag==END){
break;
} else {
alert("bad tag!");
return;
}
}
}
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