Added CWT Frequencies and updated corresponding methods in other objects. Also added CWTExtensions class as well (#16)

Author: avcarr2

FCWTAPI/CWTExtensions.cs

@@ -0,0 +1,23 @@
+using System;
+using System.Collections.Generic;
+using System.Linq;
+using System.Text;
+using System.Threading.Tasks;
+
+namespace FCWTNET
+{
+    public static  class CWTExtensions
+    {
+        public static double GetFrequencyAtIndex(this CWTObject cwt, int index)
+        {
+            if (!cwt.Equals(null))
+            {
+                return cwt.FrequencyAxis.WaveletCenterFrequencies[index];
+            }
+            else
+            {
+                throw new NullReferenceException("cwt frequency axis is null"); 
+            }
+        }
+    }
+}

FCWTAPI/CWTFrequencies.cs

@@ -0,0 +1,47 @@
+using System;
+using System.Collections.Generic;
+using System.Linq;
+using System.Text;
+using System.Threading.Tasks;
+
+namespace FCWTNET
+{
+    public class CWTFrequencies
+    {
+        public double[]? WaveletCenterFrequencies { get; private set; }
+        public int Length { get; private set; }
+        
+        public CWTFrequencies(double[] centerFrequencies)
+        {
+            WaveletCenterFrequencies = centerFrequencies;
+            Length = centerFrequencies.Length;
+        }
+        public CWTFrequencies()
+        {
+            WaveletCenterFrequencies = null; 
+        }
+        public void ReplaceFrequencies(double[] centerFrequencies)
+        {
+            WaveletCenterFrequencies = centerFrequencies; 
+        }
+        public double[] ToMZValues(double calibrationCoefficient)
+        {
+            // calibration formula: m/z = A/f^2
+            if (WaveletCenterFrequencies.Equals(null))
+            {
+                throw new NullReferenceException("Error: WaveletCenterFrequencies null."); 
+            }
+            double[] mzValues = new double[WaveletCenterFrequencies.Length];    
+            for(int i = 0; i < WaveletCenterFrequencies.Length; i++)
+            {
+                mzValues[i] = calibrationCoefficient / (WaveletCenterFrequencies[i] * WaveletCenterFrequencies[i]); 
+            }
+            return mzValues; 
+        }
+        public void CalculateFrequencyFromScale()
+        {
+
+        }
+
+    }
+}

FCWTAPI/CWTObject.cs

@@ -27,7 +27,7 @@ public class CWTObject
         public int? SamplingRate { get; }
 
         public double[,]? OutputCWT { get; private set; }
-        public double[]? FrequencyAxis { get; private set; }
+        public CWTFrequencies? FrequencyAxis { get; private set; }
         public double[]? TimeAxis { get; private set; }
 
         public CWTObject(double[] inputData, int psoctave, int pendoctave, int pnbvoice, float c0, int nthreads, bool use_optimization_schemes, int? samplingRate = null)
@@ -213,7 +213,7 @@ public void CalculateFrequencyAxis()
             {
                 freqArray[i] = C0 / Math.Pow(2, (1 + (i + 1) * deltaA));
             }
-            FrequencyAxis = freqArray;            
+            FrequencyAxis = new CWTFrequencies(freqArray);            
         }
         public void CalculateTimeAxis()
         {

TestFCWTAPI/CWTObjectTests.cs

@@ -107,7 +107,7 @@ public static void TestCalculateFrequencyAxis()
             CWTObject cosCWT = new(cosine, 1, 6, 200, (float)(2 * Math.PI), 4, false);
             cosCWT.CalculateFrequencyAxis();
             cosCWT.PerformCWT();
-            Assert.AreEqual(cosCWT.FrequencyAxis[4], (2 * Math.PI) / Math.Pow(2, 1.025), 0.001);
+            Assert.AreEqual(cosCWT.GetFrequencyAtIndex(4), (2 * Math.PI) / Math.Pow(2, 1.025), 0.001);
             Assert.AreEqual(cosCWT.OutputCWT.GetLength(0) / 2, cosCWT.FrequencyAxis.Length);
         }
         [Test]

TestFCWTAPI/TestCWTFrequencies.cs

@@ -0,0 +1,37 @@
+using NUnit.Framework;
+using System;
+using FCWTNET;
+
+
+
+namespace TestFCWTAPI
+{
+    public class TestCWTFrequencies
+    {
+        [SetUp]
+        public static void Setup()
+        {
+
+        }
+
+        [Test]
+        public void TestToMzValues()
+        {
+            double[] testFrequencies = new double[]
+            {
+                0.450e6,
+                0.475e6
+            };
+            double calibrationCoefficient = 7.5e12; 
+            var cwtFrequencies = new CWTFrequencies(testFrequencies);
+            var badCwtFrequencies = new CWTFrequencies();
+
+            Assert.Throws<NullReferenceException>(delegate { 
+                badCwtFrequencies.ToMZValues(calibrationCoefficient);  
+            });
+            double trueValue = calibrationCoefficient / Math.Pow(testFrequencies[0], 2);
+            double[] mzVals = cwtFrequencies.ToMZValues(calibrationCoefficient);
+            Assert.AreEqual(trueValue, mzVals[0]); 
+        }
+    }
+}