Exemplo n.º 1
0
        private void ReadFromFile(string paramFile, Boolean verbose)
        {
            if (!File.Exists(paramFile))
                return;

            using (var reader = new BigEndianReader(File.Open(paramFile, FileMode.Open)))
            {
                // Version
                var version = reader.ReadInt32();
                if(verbose) Console.WriteLine("Version: {0}", version);

                // Activation method
                var actMethodChars = reader.ReadChars(reader.ReadByte());
                var actMethod = new string(actMethodChars);

                // Instrument type
                var instType = new string(reader.ReadChars(reader.ReadByte()));

                // Enzyme
                var enzyme = new string(reader.ReadChars(reader.ReadByte()));

                // Protocol
                var protocol = new string(reader.ReadChars(reader.ReadByte()));

                if (verbose) Console.WriteLine("Spectral type: {0}_{1}_{2}_{3}", actMethod, instType, enzyme, protocol);

                // TODO: set up spectral type

                //// Tolerance
                //var isTolerancePpm = reader.ReadBoolean();
                //var mmeVal = reader.ReadSingle();
                //// Ignore mme
                ////_mme = new Tolerance(mmeVal, isTolerancePpm ? ToleranceUnit.Ppm : ToleranceUnit.Dalton);

                //// Deconvolution information
                //_applyDeconvolution = reader.ReadBoolean();
                //_deconvolutionErrorToleranceDa = reader.ReadSingle();
                //if (verbose) Console.WriteLine("Apply deconvolution: {0}, Tolerance: {1}", _applyDeconvolution, _deconvolutionErrorToleranceDa);

                //// Charge histogram
                //if (verbose) Console.WriteLine("Charge Histogram");
                //var chargeHistSize = reader.ReadInt32();
                //_chargeHistogram = new Dictionary<int, int>();
                //for (var i = 0; i < chargeHistSize; i++)
                //{
                //    var charge = reader.ReadInt32();
                //    var numSpecs = reader.ReadInt32();
                //    _chargeHistogram[charge] = numSpecs;
                //    if(verbose) Console.WriteLine(charge+"\t"+numSpecs);
                //}

                //// Partition information
                //if (verbose) Console.WriteLine("Partition Information"); 
                //var numPartitions = reader.ReadInt32();
                //_numSegments = reader.ReadInt32();
                //_partitionSet = new SortedSet<Partition>();

                //for (var i = 0; i < numPartitions; i++)
                //{
                //    var charge = reader.ReadInt32();
                //    var neutralPeptideMass = reader.ReadInt32();
                //    var segIndex = reader.ReadInt32();
                //    _partitionSet.Add(new Partition(charge, neutralPeptideMass, segIndex));
                //    if(verbose) Console.WriteLine("{0}\t{1}\t{2}", charge, neutralPeptideMass, segIndex);
                //}

                //// Precursor offset frequency function
                //if (verbose) Console.WriteLine("Precursor Offset Frequency Function");
                //_precursorOffMap = new Dictionary<int, IList<PrecursorOffsetFrequency>>();
                //_numPrecursorOffsets = reader.ReadInt32();
                //for (var i = 0; i < _numPrecursorOffsets; i++)
                //{
                //    var charge = reader.ReadInt32();
                //    var reducedCharge = reader.ReadInt32();
                //    var offset = reader.ReadSingle();
                //    var isTolPpm = reader.ReadBoolean();
                //    var tolVal = reader.ReadSingle();
                //    var tolerance = new Tolerance(tolVal, isTolPpm ? ToleranceUnit.Ppm : ToleranceUnit.Dalton);
                //    var frequency = reader.ReadSingle();

                //    IList<PrecursorOffsetFrequency> offList;
                //    if (!_precursorOffMap.TryGetValue(charge, out offList))
                //    {
                //        offList = new List<PrecursorOffsetFrequency>();
                //        _precursorOffMap[charge] = offList;
                //    }
                //    offList.Add(new PrecursorOffsetFrequency(reducedCharge, offset, frequency, tolerance));
                //    if (verbose) Console.WriteLine("{0}\t{1}\t{2}\t{3}\t{4}", 
                //        charge, reducedCharge, offset, tolerance, frequency);
                //}

                //// Fragment ion offset frequency function
                //if (verbose) Console.WriteLine("Fragment Offset Frequency Function");
                //_fragmentOffMap = new Dictionary<Partition, IEnumerable<FragmentOffsetFrequency>>();
                //foreach(var partition in _partitionSet)
                //{
                //    if(verbose) Console.WriteLine("{0}\t{1}\t{2}", partition.Charge, partition.SegmentIndex, partition.NeutralPeptideMass);
                //    var numIons = reader.ReadInt32();
                //    var fragmentOff = new FragmentOffsetFrequency[numIons];
                //    for (var ionIndex = 0; ionIndex < numIons; ionIndex++)
                //    {
                //        var isPrefix = reader.ReadBoolean();
                //        var charge = reader.ReadInt32();
                //        var offset = reader.ReadSingle();
                //        var frequency = reader.ReadSingle();
                //    }
                //}

                //// TODO: determine fragment ions

                //// Rank distributions
                //var maxRank = reader.ReadInt32();
                //for (var i = 0; i < numPartitions; i++)
                //{
                //    // repeat this for #Ions
                //    for (var rank = 0; rank < maxRank + 1; rank++)
                //    {
                //        var frequency = reader.ReadSingle();
                //    }
                //}

                //// Error distributions
                //var errorScalingFactor = reader.ReadInt32();
                //if (errorScalingFactor > 0)
                //{
                //    var numErrorBins = errorScalingFactor*2 + 1;

                //    // Ion error distribution
                //    for (var i = 0; i < numErrorBins; i++)
                //    {
                //        var ionErrorDist = reader.ReadSingle();
                //    }

                //    // Noise error distribution
                //    for (var i = 0; i < numErrorBins; i++)
                //    {
                //        var noiseErrorDist = reader.ReadSingle();
                //    }

                //    // Ion existence table
                //    for (var i = 0; i < 4; i++)
                //    {
                //        var ionExFreq = reader.ReadSingle();
                //    }
                //}

                //// Validation
                //var validationCode = reader.ReadInt32();
                //if (validationCode != Int32.MaxValue)
                //{
                //    Console.WriteLine("Error while reading parameter file {0}", paramFile);
                //    System.Environment.Exit(-1); // Error
                //}
            }
        }