add DrugScoreCalculator

Documentation.md

@@ -311,6 +311,12 @@ Returns detailed information about the previous drug likeness assessment.
 
 ---------------------------------------
 
+## DrugScoreCalculator
+
+### DrugScoreCalculator.calculate(cLogP, solubility, molWeight, drugLikeness, toxicityRisks)
+
+---------------------------------------
+
 ## Util
 
 ### Util.getHoseCodesFromDiastereotopicID(id, options)

History.md

@@ -1,3 +1,8 @@
+4.2.0 / 2016-04-14
+==================
+
+* add DrugScoreCalculator
+
 4.1.0 / 2016-03-17
 ==================
 

src/com/actelion/research/gwt/core/JSDrugScoreCalculator.java

@@ -0,0 +1,11 @@
+package com.actelion.research.gwt.core;
+
+import com.actelion.research.chem.prediction.DrugScoreCalculator;
+import jsinterop.annotations.*;
+
+@JsType(name = "DrugScoreCalculator")
+public class JSDrugScoreCalculator {
+	public static double calculate(double mCLogP, double mSolubility, double mMolweight, double mDruglikeness, int[] toxRisks) {
+	    return DrugScoreCalculator.calculate(mCLogP, mSolubility, mMolweight, mDruglikeness, toxRisks);
+	}
+}