Release v1.0.1

Author: cheminfo-bot

bower.json

@@ -1,6 +1,6 @@
 {
   "name": "ml-gsd",
-  "version": "1.0.0",
+  "version": "1.0.1",
   "description": "Global Spectra Deconvolution",
   "keywords": [
     "optimization",

dist/ml-gsd.js

@@ -55,7 +55,7 @@ return /******/ (function(modules) { // webpackBootstrap
 /***/ function(module, exports, __webpack_require__) {
 
 
-	module.exports.optimize = __webpack_require__(1);
+	module.exports.post = __webpack_require__(1);
 	module.exports.gsd = __webpack_require__(15);
 
 
@@ -224,6 +224,67 @@ return /******/ (function(modules) { // webpackBootstrap
 	    }
 	    return groups;
 	}
+	/**
+	 * This function try to join the peaks that seems to belong to a broad signal in a single broad peak.
+	 * @param peakList
+	 * @param options
+	 */
+	function joinBroadPeaks(peakList, options){
+	    var width = options.width;
+	    var broadLines=[];
+	    //Optimize the possible broad lines
+	    var max=0, maxI=0,count=1;
+	    var isPartOf = false;
+	    for(var i=peakList.length-1;i>=0;i--){
+	        if(peakList[i].soft){
+	            broadLines.push(peakList.splice(i,1)[0]);
+	        }
+	    }
+	    //Push a feak peak
+	    broadLines.push({x:Number.MAX_VALUE});
+
+	    var candidates = [[broadLines[0].x,
+	                        broadLines[0].y]];
+	    var indexes = [0];
+
+	    for(var i=1;i<broadLines.length;i++){
+	        //console.log(broadLines[i-1].x+" "+broadLines[i].x);
+	        if(Math.abs(broadLines[i-1].x-broadLines[i].x)<width){
+	            candidates.push([broadLines[i].x,broadLines[i].y]);
+	            if(broadLines[i].y>max){
+	                max = broadLines[i].y;
+	                maxI = i;
+	            }
+	            indexes.push(i);
+	            count++;
+	        }
+	        else{
+	            if(count>2){
+	                var fitted =  Opt.optimizeSingleLorentzian(candidates,
+	                    {x: broadLines[maxI].x, y:max, width: Math.abs(candidates[0][0]-candidates[candidates.length-1][0])});
+	                //console.log(fitted)
+	                peakList.push({x:fitted[0][0],y:fitted[1][0],width:fitted[2][0],soft:false});
+
+	            }
+	            else{
+	                //Put back the candidates to the signals list
+	                indexes.map(function(index){peakList.push(broadLines[index])});
+	            }
+	            candidates = [[broadLines[i].x,broadLines[i].y]];
+	            indexes = [i];
+	            max = broadLines[i].y;
+	            maxI = i;
+	            count = 1;
+	        }
+	    }
+
+	    peakList.sort(function (a, b) {
+	        return a.x - b.x;
+	    });
+
+	    return peakList;
+
+	}
 
 	/*if(options.broadRatio>0){
 	 var broadLines=[[Number.MAX_VALUE,0,0]];
@@ -273,7 +334,7 @@ return /******/ (function(modules) { // webpackBootstrap
 	 }
 	 }*/
 
-	module.exports=optimizePeaks;
+	module.exports={optimizePeaks:optimizePeaks,joinBroadPeaks:joinBroadPeaks};
 
 
 
@@ -4674,7 +4735,7 @@ return /******/ (function(modules) { // webpackBootstrap
 
 	var sgDefOptions = {
 	    windowSize: 5,
-	    polynomial: 3,
+	    polynomial: 3
 	};
 
 

dist/ml-gsd.min.js

@@ -1,6 +1,6 @@
 {
   "name": "ml-gsd",
-  "version": "1.0.0",
+  "version": "1.0.1",
   "description": "Global Spectra Deconvolution",
   "main": "src/index.js",
   "directories": {