kekule
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Open source JavaScript toolkit for chemoinformatics
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JavaScript
/**
* @fileoverview
* Some predefined data used by 3D renderer.
* @author Partridge Jiang
*/
(function(){
var R = Kekule.Render;
/**
* Different set of atom colors used by 3D renderer.
* Each set is an array, a[atomicNumber] = color. a[0] is used for default color for non atom nodes.
* @ignore
*/
R.atomColorSets = {
// jMol color set, generated from jmol source file
jmol: ['#000099',"#FFFFFF","#D9FFFF","#CC80FF","#C2FF00","#FFB5B5","#909090","#3050F8","#FF0D0D","#90E050","#B3E3F5","#AB5CF2","#8AFF00","#BFA6A6","#F0C8A0","#FF8000","#FFFF30","#1FF01F","#80D1E3","#8F40D4","#3DFF00","#E6E6E6","#BFC2C7","#A6A6AB","#8A99C7","#9C7AC7","#E06633","#F090A0","#50D050","#C88033","#7D80B0","#C28F8F","#668F8F","#BD80E3","#FFA100","#A62929","#5CB8D1","#702EB0","#00FF00","#94FFFF","#94E0E0","#73C2C9","#54B5B5","#3B9E9E","#248F8F","#0A7D8C","#006985","#C0C0C0","#FFD98F","#A67573","#668080","#9E63B5","#D47A00","#940094","#429EB0","#57178F","#00C900","#70D4FF","#FFFFC7","#D9FFC7","#C7FFC7","#A3FFC7","#8FFFC7","#61FFC7","#45FFC7","#30FFC7","#1FFFC7","#00FF9C","#00E675","#00D452","#00BF38","#00AB24","#4DC2FF","#4DA6FF","#2194D6","#267DAB","#266696","#175487","#D0D0E0","#FFD123","#B8B8D0","#A6544D","#575961","#9E4FB5","#AB5C00","#754F45","#428296","#420066","#007D00","#70ABFA","#00BAFF","#00A1FF","#008FFF","#0080FF","#006BFF","#545CF2","#785CE3","#8A4FE3","#A136D4","#B31FD4","#B31FBA","#B30DA6","#BD0D87","#C70066","#CC0059","#D1004F","#D90045","#E00038","#E6002E","#EB0026","#000000","#000000"],
// CPK color map in CDK
cpk2D: [
'#000000', // default
'#000000', // H
'#FFC0CB', // He
'#B22222', // Li
null, // Be
'#00FF00', // B
'#000000', // C
'#8F8FFF', // N
'#F00000', // O
'#DAA520', // F
null, // Ne
'#0000FF', // Na
'#228B22', // Mg
'#808090', // Al
'#DAA520', // Si
'#FFA500', // P
'#FFC832', // S
'#00FF00', // Cl
null, // Ar
'#0000FF', // K, note: this value is not set in original CPK
'#808090', // Ca
'#808090', // Sc, note: this value is not set in original CPK
'#808090', // Ti
'#808090', // V, note: this value is not set in original CPK
'#808090', // Cr
'#808090', // Mn
'#FFA500', // Fe
'#A52A2A', // Co, note: this value is not set in original CPK
'#A52A2A', // Ni
'#A52A2A', // Cu
'#A52A2A' // Zn
]
};
var a = R.atomColorSets.cpk2D;
var j = R.atomColorSets.jmol;
a[35] = '#A52A2A'; // Br
a[47] = '#808090'; // Ag
a[53] = '#A020F0'; // I
a[56] = '#FFA500'; // Ba
a[79] = '#DAA520'; // Au
a['SubGroup'] = j['SubGroup'] = '#0000CC'; // additional for none-atom nodes
/**
* Current used color set.
* @ignore
*/
R.atom3DColors = Kekule.Render.atomColorSets.jmol;
R.atom2DColors = Kekule.Render.atomColorSets.cpk2D;
R.atomColors = [];
R.atomColors[R.RendererType.R2D] = R.atom2DColors;
R.atomColors[R.RendererType.R3D] = R.atom3DColors;
})();