Ejemplo n.º 1
0
        public void TestNeedlemanWunschProfileAligner()
        {
            ISequence templateSequence = new Sequence(Alphabets.DNA, "ATGCSWRYKMBVHDN-");
            Dictionary <ISequenceItem, int> itemSet = new Dictionary <ISequenceItem, int>();

            for (int i = 0; i < templateSequence.Count; ++i)
            {
                itemSet.Add(templateSequence[i], i);
            }
            Profiles.ItemSet = itemSet;


            IProfileAligner  profileAligner   = new NeedlemanWunschProfileAligner();
            SimilarityMatrix similarityMatrix = new SimilarityMatrix(SimilarityMatrix.StandardSimilarityMatrices.AmbiguousDna);
            int gapOpenPenalty   = -8;
            int gapExtendPenalty = -1;

            profileAligner.SimilarityMatrix = similarityMatrix;
            profileAligner.GapOpenCost      = gapOpenPenalty;
            profileAligner.GapExtensionCost = gapExtendPenalty;

            ISequence seqA = new Sequence(Alphabets.DNA, "GGGAAAAATCAGATT");
            ISequence seqB = new Sequence(Alphabets.DNA, "GGGAATCAAAATCAG");

            List <ISequence> sequences = new List <ISequence>();

            sequences.Add(seqA);
            sequences.Add(seqB);

            IProfileAlignment profileAlignmentA = ProfileAlignment.GenerateProfileAlignment(sequences[0]);
            IProfileAlignment profileAlignmentB = ProfileAlignment.GenerateProfileAlignment(sequences[1]);

            profileAligner.Align(profileAlignmentA, profileAlignmentB);


            List <int> eStringSubtree  = profileAligner.GenerateEString(profileAligner.AlignedA);
            List <int> eStringSubtreeB = profileAligner.GenerateEString(profileAligner.AlignedB);

            List <ISequence> alignedSequences = new List <ISequence>();

            ISequence seq = profileAligner.GenerateSequenceFromEString(eStringSubtree, sequences[0]);

            alignedSequences.Add(seq);
            seq = profileAligner.GenerateSequenceFromEString(eStringSubtreeB, sequences[1]);
            alignedSequences.Add(seq);

            float profileScore = MsaUtils.MultipleAlignmentScoreFunction(alignedSequences, similarityMatrix, gapOpenPenalty, gapExtendPenalty);

            ISequence expectedSeqA = new Sequence(Alphabets.DNA, "GGGAA---AAATCAGATT");
            ISequence expectedSeqB = new Sequence(Alphabets.DNA, "GGGAATCAAAATCAG---");

            Assert.AreEqual(expectedSeqA.ToString(), alignedSequences[0].ToString());
            Assert.AreEqual(expectedSeqB.ToString(), alignedSequences[1].ToString());

            Assert.AreEqual(40, profileScore);
        }
Ejemplo n.º 2
0
        public void TestMuscleMultipleSequenceAlignmentRunningTime()
        {
            string filepath = @"TestUtils\FASTA\RunningTime\BOX246.xml.afa";

            // Test on DNA benchmark dataset
            FastAParser parser = new FastAParser(filepath);

            IList <ISequence> orgSequences = parser.Parse().ToList();

            List <ISequence> sequences = MsaUtils.UnAlign(orgSequences);

            //filepath = @"TestUtils\FASTA\RunningTime\12_raw.afa";
            //List<ISequence> sequences = parser.Parse(filepath);

            int numberOfSequences = orgSequences.Count;

            Console.WriteLine("Original sequences are:");
            for (int i = 0; i < numberOfSequences; ++i)
            {
                Console.WriteLine(new string(sequences[i].Select(a => (char)a).ToArray()));
            }

            Console.WriteLine("Benchmark sequences are:");
            for (int i = 0; i < numberOfSequences; ++i)
            {
                Console.WriteLine(new string(orgSequences[i].Select(a => (char)a).ToArray()));
            }

            PAMSAMMultipleSequenceAligner.FasterVersion = true;
            PAMSAMMultipleSequenceAligner.UseWeights    = false;
            PAMSAMMultipleSequenceAligner.UseStageB     = false;
            PAMSAMMultipleSequenceAligner.NumberOfCores = 2;

            int gapOpenPenalty   = -13;
            int gapExtendPenalty = -5;
            int kmerLength       = 2;

            int numberOfDegrees    = 2;  //Environment.ProcessorCount;
            int numberOfPartitions = 16; // Environment.ProcessorCount * 2;


            DistanceFunctionTypes      distanceFunctionName             = DistanceFunctionTypes.EuclideanDistance;
            UpdateDistanceMethodsTypes hierarchicalClusteringMethodName = UpdateDistanceMethodsTypes.Average;
            ProfileAlignerNames        profileAlignerName         = ProfileAlignerNames.NeedlemanWunschProfileAligner;
            ProfileScoreFunctionNames  profileProfileFunctionName = ProfileScoreFunctionNames.InnerProductFast;

            SimilarityMatrix similarityMatrix = new SimilarityMatrix(SimilarityMatrix.StandardSimilarityMatrix.Blosum62);

            PAMSAMMultipleSequenceAligner msa = new PAMSAMMultipleSequenceAligner
                                                    (sequences, kmerLength, distanceFunctionName, hierarchicalClusteringMethodName,
                                                    profileAlignerName, profileProfileFunctionName, similarityMatrix, gapOpenPenalty, gapExtendPenalty,
                                                    numberOfPartitions, numberOfDegrees);

            Console.WriteLine("The number of partitions is: {0}", numberOfPartitions);
            Console.WriteLine("The number of degrees is: {0}", numberOfDegrees);
            Console.WriteLine("Alignment score Q is: {0}", MsaUtils.CalculateAlignmentScoreQ(msa.AlignedSequences, orgSequences));
            Console.WriteLine("Alignment score TC is: {0}", MsaUtils.CalculateAlignmentScoreTC(msa.AlignedSequences, orgSequences));



            Console.WriteLine("Benchmark SPS score is: {0}", MsaUtils.MultipleAlignmentScoreFunction(orgSequences, similarityMatrix, gapOpenPenalty, gapExtendPenalty));
            Console.WriteLine("Aligned sequences in stage 1: {0}", msa.AlignmentScoreA);
            for (int i = 0; i < msa.AlignedSequencesA.Count; ++i)
            {
                Console.WriteLine(new string(msa.AlignedSequencesA[i].Select(a => (char)a).ToArray()));
            }
            Console.WriteLine("Alignment score Q is: {0}", MsaUtils.CalculateAlignmentScoreQ(msa.AlignedSequencesA, orgSequences));
            Console.WriteLine("Alignment score TC is: {0}", MsaUtils.CalculateAlignmentScoreTC(msa.AlignedSequencesA, orgSequences));
            Console.WriteLine("Aligned sequences in stage 2: {0}", msa.AlignmentScoreB);
            for (int i = 0; i < msa.AlignedSequencesB.Count; ++i)
            {
                Console.WriteLine(new string(msa.AlignedSequencesB[i].Select(a => (char)a).ToArray()));
            }
            Console.WriteLine("Alignment score Q is: {0}", MsaUtils.CalculateAlignmentScoreQ(msa.AlignedSequencesB, orgSequences));
            Console.WriteLine("Alignment score TC is: {0}", MsaUtils.CalculateAlignmentScoreTC(msa.AlignedSequencesB, orgSequences));
            Console.WriteLine("Aligned sequences in stage 3: {0}", msa.AlignmentScoreC);
            for (int i = 0; i < msa.AlignedSequencesC.Count; ++i)
            {
                Console.WriteLine(new string(msa.AlignedSequencesC[i].Select(a => (char)a).ToArray()));
            }
            Console.WriteLine("Alignment score Q is: {0}", MsaUtils.CalculateAlignmentScoreQ(msa.AlignedSequencesC, orgSequences));
            Console.WriteLine("Alignment score TC is: {0}", MsaUtils.CalculateAlignmentScoreTC(msa.AlignedSequencesC, orgSequences));
            Console.WriteLine("Aligned sequences final: {0}", msa.AlignmentScore);
            for (int i = 0; i < msa.AlignedSequences.Count; ++i)
            {
                Console.WriteLine(new string(msa.AlignedSequences[i].Select(a => (char)a).ToArray()));
            }
            Console.WriteLine("Alignment score Q is: {0}", MsaUtils.CalculateAlignmentScoreQ(msa.AlignedSequences, orgSequences));
            Console.WriteLine("Alignment score TC is: {0}", MsaUtils.CalculateAlignmentScoreTC(msa.AlignedSequences, orgSequences));
            ((FastAParser)parser).Dispose();
        }
Ejemplo n.º 3
0
        public void TestMsaBenchMarkLargeDataset()
        {
            // Test on DNA benchmark dataset
            ISequenceParser   parser       = new FastaParser();
            string            filepath     = @"testdata\FASTA\Protein\Balibase\RV913\BOX032.xml.afa";
            IList <ISequence> orgSequences = parser.Parse(filepath);

            IList <ISequence> sequences = MsaUtils.UnAlign(orgSequences);
            int numberOfSequences       = orgSequences.Count;

            String outputFilePath = @"tempBOX032.xml.afa";

            StreamWriter writer = new StreamWriter(outputFilePath, true);

            foreach (ISequence sequence in sequences)
            {
                writer.WriteLine(">" + sequence.ID);
                // write sequence
                BasicDerivedSequence derivedSeq = new BasicDerivedSequence(sequence, false, false, 0, 0);
                for (int lineStart = 0; lineStart < sequence.Count; lineStart += 60)
                {
                    derivedSeq.RangeStart  = lineStart;
                    derivedSeq.RangeLength = Math.Min(60, sequence.Count - lineStart);
                    writer.WriteLine(derivedSeq.ToString());
                }
                writer.Flush();
            }
            writer.Close();

            sequences.Clear();
            sequences = parser.Parse(outputFilePath);

            Console.WriteLine("Original sequences are:");
            for (int i = 0; i < numberOfSequences; ++i)
            {
                Console.WriteLine(sequences[i].ToString());
            }

            Console.WriteLine("Benchmark sequences are:");
            for (int i = 0; i < numberOfSequences; ++i)
            {
                Console.WriteLine(orgSequences[i].ToString());
            }

            PAMSAMMultipleSequenceAligner.FasterVersion = false;
            PAMSAMMultipleSequenceAligner.UseWeights    = false;
            PAMSAMMultipleSequenceAligner.UseStageB     = true;
            PAMSAMMultipleSequenceAligner.NumberOfCores = 2;
            int gapOpenPenalty   = -13;
            int gapExtendPenalty = -5;
            int kmerLength       = 3;

            int numberOfDegrees    = 2;  //Environment.ProcessorCount;
            int numberOfPartitions = 16; // Environment.ProcessorCount * 2;

            SimilarityMatrix similarityMatrix = new SimilarityMatrix(SimilarityMatrix.StandardSimilarityMatrix.Blosum62);

            DistanceFunctionTypes      distanceFunctionName             = DistanceFunctionTypes.EuclideanDistance;
            UpdateDistanceMethodsTypes hierarchicalClusteringMethodName = UpdateDistanceMethodsTypes.Average;
            ProfileAlignerNames        profileAlignerName         = ProfileAlignerNames.NeedlemanWunschProfileAligner;
            ProfileScoreFunctionNames  profileProfileFunctionName = ProfileScoreFunctionNames.WeightedInnerProduct;

            PAMSAMMultipleSequenceAligner msa = new PAMSAMMultipleSequenceAligner
                                                    (sequences, MoleculeType.Protein, kmerLength, distanceFunctionName, hierarchicalClusteringMethodName,
                                                    profileAlignerName, profileProfileFunctionName, similarityMatrix, gapOpenPenalty, gapExtendPenalty,
                                                    numberOfPartitions, numberOfDegrees);

            Console.WriteLine("Benchmark SPS score is: {0}", MsaUtils.MultipleAlignmentScoreFunction(orgSequences, similarityMatrix, gapOpenPenalty, gapExtendPenalty));
            Console.WriteLine("Aligned sequences in stage 1: {0}", msa.AlignmentScoreA);
            for (int i = 0; i < msa.AlignedSequencesA.Count; ++i)
            {
                Console.WriteLine(msa.AlignedSequencesA[i].ToString());
            }
            Console.WriteLine("Alignment score Q is: {0}", MsaUtils.CalculateAlignmentScoreQ(msa.AlignedSequencesA, orgSequences));
            Console.WriteLine("Alignment score TC is: {0}", MsaUtils.CalculateAlignmentScoreTC(msa.AlignedSequencesA, orgSequences));
            Console.WriteLine("Aligned sequences in stage 2: {0}", msa.AlignmentScoreB);
            for (int i = 0; i < msa.AlignedSequencesB.Count; ++i)
            {
                Console.WriteLine(msa.AlignedSequencesB[i].ToString());
            }
            Console.WriteLine("Alignment score Q is: {0}", MsaUtils.CalculateAlignmentScoreQ(msa.AlignedSequencesB, orgSequences));
            Console.WriteLine("Alignment score TC is: {0}", MsaUtils.CalculateAlignmentScoreTC(msa.AlignedSequencesB, orgSequences));
            Console.WriteLine("Aligned sequences in stage 3: {0}", msa.AlignmentScoreC);
            for (int i = 0; i < msa.AlignedSequencesC.Count; ++i)
            {
                Console.WriteLine(msa.AlignedSequencesC[i].ToString());
            }
            Console.WriteLine("Alignment score Q is: {0}", MsaUtils.CalculateAlignmentScoreQ(msa.AlignedSequencesC, orgSequences));
            Console.WriteLine("Alignment score TC is: {0}", MsaUtils.CalculateAlignmentScoreTC(msa.AlignedSequencesC, orgSequences));
            Console.WriteLine("Aligned sequences final: {0}", msa.AlignmentScore);

            for (int i = 0; i < msa.AlignedSequences.Count; ++i)
            {
                Console.WriteLine(msa.AlignedSequences[i].ToString());
            }
            Console.WriteLine("Alignment score Q is: {0}", MsaUtils.CalculateAlignmentScoreQ(msa.AlignedSequences, orgSequences));
            Console.WriteLine("Alignment score TC is: {0}", MsaUtils.CalculateAlignmentScoreTC(msa.AlignedSequences, orgSequences));

            if (File.Exists(outputFilePath))
            {
                File.Delete(outputFilePath);
            }
        }
Ejemplo n.º 4
0
        public void TestNeedlemanWunschProfileAligner()
        {
            Console.WriteLine("Number of logical processors: {0}", Environment.ProcessorCount);

            ISequence templateSequence     = new Sequence(Alphabets.AmbiguousDNA, "ATGCSWRYKMBVHDN-");
            Dictionary <byte, int> itemSet = new Dictionary <byte, int>();

            for (int i = 0; i < templateSequence.Count; ++i)
            {
                itemSet.Add(templateSequence[i], i);

                if (char.IsLetter((char)templateSequence[i]))
                {
                    itemSet.Add((byte)char.ToLower((char)templateSequence[i]), i);
                }
            }
            Profiles.ItemSet = itemSet;



            SimilarityMatrix similarityMatrix = new SimilarityMatrix(SimilarityMatrix.StandardSimilarityMatrix.AmbiguousDna);
            int gapOpenPenalty   = -3;
            int gapExtendPenalty = -1;

            IProfileAligner profileAligner = new NeedlemanWunschProfileAlignerSerial(similarityMatrix, ProfileScoreFunctionNames.WeightedInnerProduct,
                                                                                     gapOpenPenalty, gapExtendPenalty, Environment.ProcessorCount);

            ISequence seqA = new Sequence(Alphabets.DNA, "GGGAAAAATCAGATT");
            ISequence seqB = new Sequence(Alphabets.DNA, "GGGAATCAAAATCAG");

            List <ISequence> sequences = new List <ISequence>();

            sequences.Add(seqA);
            sequences.Add(seqB);

            IProfileAlignment profileAlignmentA = ProfileAlignment.GenerateProfileAlignment(sequences[0]);
            IProfileAlignment profileAlignmentB = ProfileAlignment.GenerateProfileAlignment(sequences[1]);

            profileAligner.Align(profileAlignmentA, profileAlignmentB);


            List <int> eStringSubtree  = profileAligner.GenerateEString(profileAligner.AlignedA);
            List <int> eStringSubtreeB = profileAligner.GenerateEString(profileAligner.AlignedB);

            List <ISequence> alignedSequences = new List <ISequence>();

            ISequence seq = profileAligner.GenerateSequenceFromEString(eStringSubtree, sequences[0]);

            alignedSequences.Add(seq);
            seq = profileAligner.GenerateSequenceFromEString(eStringSubtreeB, sequences[1]);
            alignedSequences.Add(seq);

            float profileScore = MsaUtils.MultipleAlignmentScoreFunction(alignedSequences, similarityMatrix, gapOpenPenalty, gapExtendPenalty);

            Console.WriteLine("alignment score is: {0}", profileScore);

            Console.WriteLine("the aligned sequences are:");
            for (int i = 0; i < alignedSequences.Count; ++i)
            {
                Console.WriteLine(new string(alignedSequences[i].Select(a => (char)a).ToArray()));
            }

            // Test on case 3: 36 sequences
            string            filepath     = @"\TestUtils\RV11_BBS_allSmall.afa";
            string            filePathObj  = Directory.GetCurrentDirectory() + filepath;
            FastAParser       parser       = new FastAParser(filePathObj);
            IList <ISequence> orgSequences = parser.Parse().ToList();

            sequences = MsaUtils.UnAlign(orgSequences);

            int numberOfSequences = orgSequences.Count;

            Console.WriteLine("Original unaligned sequences are:");
            for (int i = 0; i < numberOfSequences; ++i)
            {
                Console.WriteLine(">");
                Console.WriteLine(new string(sequences[i].Select(a => (char)a).ToArray()));
            }

            for (int i = 1; i < numberOfSequences - 1; ++i)
            {
                for (int j = i + 1; j < numberOfSequences; ++j)
                {
                    profileAlignmentA = ProfileAlignment.GenerateProfileAlignment(sequences[i]);
                    profileAlignmentB = ProfileAlignment.GenerateProfileAlignment(sequences[j]);

                    profileAligner = new NeedlemanWunschProfileAlignerSerial(similarityMatrix, ProfileScoreFunctionNames.WeightedInnerProduct,
                                                                             gapOpenPenalty, gapExtendPenalty, Environment.ProcessorCount);
                    profileAligner.Align(profileAlignmentA, profileAlignmentB);

                    eStringSubtree  = profileAligner.GenerateEString(profileAligner.AlignedA);
                    eStringSubtreeB = profileAligner.GenerateEString(profileAligner.AlignedB);

                    Console.WriteLine("Sequences lengths are: {0}-{1}", sequences[i].Count, sequences[j].Count);
                    Console.WriteLine("estring 1:");
                    for (int k = 0; k < eStringSubtree.Count; ++k)
                    {
                        Console.Write("{0}\t", eStringSubtree[k]);
                    }
                    Console.WriteLine("\nestring 2:");
                    for (int k = 0; k < eStringSubtreeB.Count; ++k)
                    {
                        Console.Write("{0}\t", eStringSubtreeB[k]);
                    }

                    alignedSequences = new List <ISequence>();

                    seq = profileAligner.GenerateSequenceFromEString(eStringSubtree, sequences[i]);
                    alignedSequences.Add(seq);
                    seq = profileAligner.GenerateSequenceFromEString(eStringSubtreeB, sequences[j]);
                    alignedSequences.Add(seq);

                    profileScore = MsaUtils.MultipleAlignmentScoreFunction(alignedSequences, similarityMatrix, gapOpenPenalty, gapExtendPenalty);

                    Console.WriteLine("\nalignment score is: {0}", profileScore);

                    Console.WriteLine("the aligned sequences are:");
                    for (int k = 0; k < alignedSequences.Count; ++k)
                    {
                        Console.WriteLine(new string(alignedSequences[k].Select(a => (char)a).ToArray()));
                    }
                }
                ((FastAParser)parser).Dispose();
            }
        }
Ejemplo n.º 5
0
        public void TestAlignmentScore()
        {
            ISequence templateSequence = new Sequence(Alphabets.DNA, "ATGCSWRYKMBVHDN-");
            Dictionary <ISequenceItem, int> itemSet = new Dictionary <ISequenceItem, int>();

            for (int i = 0; i < templateSequence.Count; ++i)
            {
                itemSet.Add(templateSequence[i], i);
            }
            Profiles.ItemSet = itemSet;

            SimilarityMatrix similarityMatrix = new SimilarityMatrix(SimilarityMatrix.StandardSimilarityMatrix.AmbiguousDna);
            int gapOpenPenalty   = -8;
            int gapExtendPenalty = -1;

            // Test PairWiseScoreFunction
            ISequence seqA  = new Sequence(Alphabets.DNA, "ACG");
            ISequence seqB  = new Sequence(Alphabets.DNA, "ACG");
            float     score = MsaUtils.PairWiseScoreFunction(seqA, seqB, similarityMatrix, gapOpenPenalty, gapExtendPenalty);



            //Assert.AreEqual(15, score);

            seqA = new Sequence(Alphabets.DNA, "ACG");
            seqB = new Sequence(Alphabets.DNA, "ACC");

            score = MsaUtils.PairWiseScoreFunction(seqA, seqB, similarityMatrix, gapOpenPenalty, gapExtendPenalty);

            //Assert.AreEqual(6, score);

            seqA = new Sequence(Alphabets.DNA, "AC-");
            seqB = new Sequence(Alphabets.DNA, "ACC");

            score = MsaUtils.PairWiseScoreFunction(seqA, seqB, similarityMatrix, gapOpenPenalty, gapExtendPenalty);

            //Assert.AreEqual(2, score);

            seqA = new Sequence(Alphabets.DNA, "AC--");
            seqB = new Sequence(Alphabets.DNA, "ACCG");

            score = MsaUtils.PairWiseScoreFunction(seqA, seqB, similarityMatrix, gapOpenPenalty, gapExtendPenalty);

            //Assert.AreEqual(1, score);


            seqA = new Sequence(Alphabets.DNA, "A---");
            seqB = new Sequence(Alphabets.DNA, "A--C");

            score = MsaUtils.PairWiseScoreFunction(seqA, seqB, similarityMatrix, gapOpenPenalty, gapExtendPenalty);

            //Assert.AreEqual(-3, score);


            seqA = new Sequence(Alphabets.DNA, "GGGA---AAAATCAGATT");
            seqB = new Sequence(Alphabets.DNA, "GGGA--CAAAATCAG---");

            score = MsaUtils.PairWiseScoreFunction(seqA, seqB, similarityMatrix, gapOpenPenalty, gapExtendPenalty);

            //Assert.AreEqual(42, score);

            seqA = new Sequence(Alphabets.DNA, "GGG---AAAAATCAGATT");
            seqB = new Sequence(Alphabets.DNA, "GGGA--CAAAATCAG---");

            score = MsaUtils.PairWiseScoreFunction(seqA, seqB, similarityMatrix, gapOpenPenalty, gapExtendPenalty);

            //Assert.AreEqual(33, score);

            seqA = new Sequence(Alphabets.DNA, "GGGA---AAAATCAGATT");
            seqB = new Sequence(Alphabets.DNA, "GGGAATCAAAATCAG---");

            score = MsaUtils.PairWiseScoreFunction(seqA, seqB, similarityMatrix, gapOpenPenalty, gapExtendPenalty);

            //Assert.AreEqual(40, score);

            seqA = new Sequence(Alphabets.DNA, "GGGA--CAAAATCAG---");
            seqB = new Sequence(Alphabets.DNA, "GGGAATCAAAATCAG---");

            score = MsaUtils.PairWiseScoreFunction(seqA, seqB, similarityMatrix, gapOpenPenalty, gapExtendPenalty);

            //Assert.AreEqual(56, score);

            // Test MultipleAlignmentScoreFunction
            List <ISequence> sequences = new List <ISequence>();

            seqA = new Sequence(Alphabets.DNA, "GGGA---AAAATCAGATT");
            seqB = new Sequence(Alphabets.DNA, "GGGA--CAAAATCAG---");
            sequences.Add(seqA);
            sequences.Add(seqB);
            score = MsaUtils.MultipleAlignmentScoreFunction(sequences, similarityMatrix, gapOpenPenalty, gapExtendPenalty);
            Console.WriteLine("alignment score is: {0}", score);
            for (int i = 0; i < sequences.Count; ++i)
            {
                Console.WriteLine(sequences[i].ToString());
            }
            //Assert.AreEqual(42, score);

            sequences.Add(new Sequence(Alphabets.DNA, "GGGAATCAAAATCAG---"));
            score = MsaUtils.MultipleAlignmentScoreFunction(sequences, similarityMatrix, gapOpenPenalty, gapExtendPenalty);
            Console.WriteLine("alignment score is: {0}", score);
            for (int i = 0; i < sequences.Count; ++i)
            {
                Console.WriteLine(sequences[i].ToString());
            }
            //Assert.AreEqual(46, score);

            sequences[0] = new Sequence(Alphabets.DNA, "GGG---AAAAATCAGATT");
            score        = MsaUtils.MultipleAlignmentScoreFunction(sequences, similarityMatrix, gapOpenPenalty, gapExtendPenalty);
            for (int i = 0; i < sequences.Count; ++i)
            {
                Console.WriteLine(sequences[i].ToString());
            }
            Console.WriteLine("alignment score is: {0}", score);
            for (int i = 0; i < sequences.Count; ++i)
            {
                Console.WriteLine(sequences[i].ToString());
            }
            //Assert.AreEqual(40, score);

            // Test CalculateOffset
            seqA = new Sequence(Alphabets.DNA, "ABCD");
            seqB = new Sequence(Alphabets.DNA, "ABCD");

            List <int> offset = MsaUtils.CalculateOffset(seqA, seqB);

            Console.WriteLine("offsets are:");
            for (int i = 0; i < offset.Count; ++i)
            {
                Console.Write("{0}\t", offset[i]);
            }

            seqA   = new Sequence(Alphabets.DNA, "A-BCD");
            seqB   = new Sequence(Alphabets.DNA, "AB-CD");
            offset = MsaUtils.CalculateOffset(seqA, seqB);
            Console.WriteLine("\noffsets are:");
            for (int i = 0; i < offset.Count; ++i)
            {
                Console.Write("{0}\t", offset[i]);
            }

            seqA   = new Sequence(Alphabets.DNA, "A-BCD");
            seqB   = new Sequence(Alphabets.DNA, "----AB-CD");
            offset = MsaUtils.CalculateOffset(seqA, seqB);
            Console.WriteLine("\noffsets are:");
            for (int i = 0; i < offset.Count; ++i)
            {
                Console.Write("{0}\t", offset[i]);
            }

            sequences.Clear();
            sequences.Add(seqA);
            sequences.Add(new Sequence(Alphabets.DNA, "ABBCG"));

            List <ISequence> sequencesRef = new List <ISequence>();

            sequencesRef.Add(seqA);
            sequencesRef.Add(new Sequence(Alphabets.DNA, "ABBCG"));

            for (int i = 0; i < sequences.Count; ++i)
            {
                offset = MsaUtils.CalculateOffset(sequences[i], sequencesRef[i]);
                Console.WriteLine("\noffsets are:");
                for (int j = 0; j < offset.Count; ++j)
                {
                    Console.Write("{0}\t", offset[j]);
                }
            }

            Console.WriteLine("Q score is: {0}", MsaUtils.CalculateAlignmentScoreQ(sequences, sequencesRef));
            Console.WriteLine("TC score is: {0}", MsaUtils.CalculateAlignmentScoreTC(sequences, sequencesRef));



            // Test on one example
            sequences.Clear();
            sequences.Add(new Sequence(Alphabets.DNA, "GGGA---A-AAATCAGATT"));
            sequences.Add(new Sequence(Alphabets.DNA, "GGGAATCA-AAATCAG---"));
            sequences.Add(new Sequence(Alphabets.DNA, "GGGAATCA-AAATCAG---"));
            sequences.Add(new Sequence(Alphabets.DNA, "GGGA---A-A--TC-G---"));
            sequences.Add(new Sequence(Alphabets.DNA, "GGGAATCA-A--TCAG---"));
            sequences.Add(new Sequence(Alphabets.DNA, "GGGAATCTTA--TCAG---"));
            sequences.Add(new Sequence(Alphabets.DNA, "GGGA--CA-AAATCAG---"));
            sequences.Add(new Sequence(Alphabets.DNA, "GGGA---A-AAATCAGATT"));
            sequences.Add(new Sequence(Alphabets.DNA, "GGGAATCA-AAATCAG---"));
            sequences.Add(new Sequence(Alphabets.DNA, "GGGA--CA-AAATCAG---"));

            gapOpenPenalty   = -4;
            gapExtendPenalty = -1;

            Console.WriteLine("score is: {0}", MsaUtils.MultipleAlignmentScoreFunction(sequences, similarityMatrix, gapOpenPenalty, gapExtendPenalty));

            sequences.Clear();
            sequences.Add(new Sequence(Alphabets.DNA, "GGGA---AAAATCAGATT"));
            sequences.Add(new Sequence(Alphabets.DNA, "GGGAATCAAAATCAG---"));
            sequences.Add(new Sequence(Alphabets.DNA, "GGGAATCAAAATCAG---"));
            sequences.Add(new Sequence(Alphabets.DNA, "GGGA-----AATC-G---"));
            sequences.Add(new Sequence(Alphabets.DNA, "GGGAATC--AATCAG---"));
            sequences.Add(new Sequence(Alphabets.DNA, "GGGAATCTTA-TCAG---"));
            sequences.Add(new Sequence(Alphabets.DNA, "GGGA--CAAAATCAG---"));
            sequences.Add(new Sequence(Alphabets.DNA, "GGGA---AAAATCAGATT"));
            sequences.Add(new Sequence(Alphabets.DNA, "GGGAATCAAAATCAG---"));
            sequences.Add(new Sequence(Alphabets.DNA, "GGGA--CAAAATCAG---"));

            Console.WriteLine("score is: {0}", MsaUtils.MultipleAlignmentScoreFunction(sequences, similarityMatrix, gapOpenPenalty, gapExtendPenalty));

            // Test Quick Sort
            float[] a = new float[5] {
                0, 2, 1, 5, 4
            };
            int[] aIndex = new int[5] {
                0, 1, 2, 3, 4
            };
            MsaUtils.QuickSort(a, aIndex, 0, a.Length - 1);
            Console.WriteLine("quicksort");
            for (int i = 0; i < a.Length; ++i)
            {
                Console.WriteLine(a[i]);
            }
            for (int i = 0; i < a.Length; ++i)
            {
                Console.WriteLine(aIndex[i]);
            }

            Console.WriteLine("quicksortM");
            a = new float[5] {
                0, 2, 1, 5, 4
            };
            int[] aIndexB = null;
            MsaUtils.QuickSortM(a, out aIndexB, 0, 4);
            for (int i = 0; i < a.Length; ++i)
            {
                Console.WriteLine(a[i]);
            }
            for (int i = 0; i < a.Length; ++i)
            {
                Console.WriteLine(aIndexB[i]);
            }

            Console.WriteLine("quicksort");
            a = new float[5] {
                0, 2, 1, 5, 4
            };
            int[] aIndexC = MsaUtils.CreateIndexArray(a.Length);
            MsaUtils.QuickSort(a, aIndexC, 0, a.Length - 1);
            for (int i = 0; i < a.Length; ++i)
            {
                Console.WriteLine(aIndexC[i]);
            }

            a = new float[5] {
                1, 0, 0, 0, 0
            };
            aIndex = new int[5] {
                0, 1, 2, 3, 4
            };
            MsaUtils.QuickSort(a, aIndex, 0, a.Length - 1);
            for (int i = 0; i < a.Length; ++i)
            {
                Console.WriteLine(a[i]);
            }
            for (int i = 0; i < a.Length; ++i)
            {
                Console.WriteLine(aIndex[i]);
            }
        }
Ejemplo n.º 6
0
        public void TestMsaBenchMarkLargeDataset()
        {
            string filepath    = @"\TestUtils\BOX032Small.xml.afa";
            string filePathObj = Directory.GetCurrentDirectory() + filepath;
            // Test on DNA benchmark dataset
            FastAParser       parser       = new FastAParser(filePathObj);
            IList <ISequence> orgSequences = parser.Parse().ToList();

            IList <ISequence> sequences = MsaUtils.UnAlign(orgSequences);
            int numberOfSequences       = orgSequences.Count;

            String outputFilePath = @"tempBOX032.xml.afa";

            using (StreamWriter writer = new StreamWriter(outputFilePath, true))
            {
                foreach (ISequence sequence in sequences)
                {
                    writer.WriteLine(">" + sequence.ID);
                    // write sequence
                    for (int lineStart = 0; lineStart < sequence.Count; lineStart += 60)
                    {
                        writer.WriteLine(new String(sequence.Skip(lineStart).Take((int)Math.Min(60, sequence.Count - lineStart)).Select(a => (char)a).ToArray()));
                    }
                    writer.Flush();
                }
            }

            sequences.Clear();
            parser    = new FastAParser(outputFilePath);
            sequences = parser.Parse().ToList();

            Console.WriteLine("Original sequences are:");
            for (int i = 0; i < numberOfSequences; ++i)
            {
                Console.WriteLine(new string(sequences[i].Select(a => (char)a).ToArray()));
            }

            Console.WriteLine("Benchmark sequences are:");
            for (int i = 0; i < numberOfSequences; ++i)
            {
                Console.WriteLine(new string(orgSequences[i].Select(a => (char)a).ToArray()));
            }

            PAMSAMMultipleSequenceAligner.FasterVersion = false;
            PAMSAMMultipleSequenceAligner.UseWeights    = false;
            PAMSAMMultipleSequenceAligner.UseStageB     = true;
            PAMSAMMultipleSequenceAligner.NumberOfCores = 2;
            int gapOpenPenalty   = -13;
            int gapExtendPenalty = -5;
            int kmerLength       = 3;

            int numberOfDegrees    = 2;  //Environment.ProcessorCount;
            int numberOfPartitions = 16; // Environment.ProcessorCount * 2;

            SimilarityMatrix similarityMatrix = new SimilarityMatrix(SimilarityMatrix.StandardSimilarityMatrix.Blosum62);

            DistanceFunctionTypes      distanceFunctionName             = DistanceFunctionTypes.EuclideanDistance;
            UpdateDistanceMethodsTypes hierarchicalClusteringMethodName = UpdateDistanceMethodsTypes.Average;
            ProfileAlignerNames        profileAlignerName         = ProfileAlignerNames.NeedlemanWunschProfileAligner;
            ProfileScoreFunctionNames  profileProfileFunctionName = ProfileScoreFunctionNames.WeightedInnerProduct;

            PAMSAMMultipleSequenceAligner msa = new PAMSAMMultipleSequenceAligner
                                                    (sequences, kmerLength, distanceFunctionName, hierarchicalClusteringMethodName,
                                                    profileAlignerName, profileProfileFunctionName, similarityMatrix, gapOpenPenalty, gapExtendPenalty,
                                                    numberOfPartitions, numberOfDegrees);

            Console.WriteLine("Benchmark SPS score is: {0}", MsaUtils.MultipleAlignmentScoreFunction(orgSequences, similarityMatrix, gapOpenPenalty, gapExtendPenalty));
            Console.WriteLine("Aligned sequences in stage 1: {0}", msa.AlignmentScoreA);
            for (int i = 0; i < msa.AlignedSequencesA.Count; ++i)
            {
                Console.WriteLine(new string(msa.AlignedSequencesA[i].Select(a => (char)a).ToArray()));
            }
            Console.WriteLine("Alignment score Q is: {0}", MsaUtils.CalculateAlignmentScoreQ(msa.AlignedSequencesA, orgSequences));
            Console.WriteLine("Alignment score TC is: {0}", MsaUtils.CalculateAlignmentScoreTC(msa.AlignedSequencesA, orgSequences));
            Console.WriteLine("Aligned sequences in stage 2: {0}", msa.AlignmentScoreB);
            for (int i = 0; i < msa.AlignedSequencesB.Count; ++i)
            {
                Console.WriteLine(new string(msa.AlignedSequencesB[i].Select(a => (char)a).ToArray()));
            }
            Console.WriteLine("Alignment score Q is: {0}", MsaUtils.CalculateAlignmentScoreQ(msa.AlignedSequencesB, orgSequences));
            Console.WriteLine("Alignment score TC is: {0}", MsaUtils.CalculateAlignmentScoreTC(msa.AlignedSequencesB, orgSequences));
            Console.WriteLine("Aligned sequences in stage 3: {0}", msa.AlignmentScoreC);
            for (int i = 0; i < msa.AlignedSequencesC.Count; ++i)
            {
                Console.WriteLine(new string(msa.AlignedSequencesC[i].Select(a => (char)a).ToArray()));
            }
            Console.WriteLine("Alignment score Q is: {0}", MsaUtils.CalculateAlignmentScoreQ(msa.AlignedSequencesC, orgSequences));
            Console.WriteLine("Alignment score TC is: {0}", MsaUtils.CalculateAlignmentScoreTC(msa.AlignedSequencesC, orgSequences));
            Console.WriteLine("Aligned sequences final: {0}", msa.AlignmentScore);

            for (int i = 0; i < msa.AlignedSequences.Count; ++i)
            {
                Console.WriteLine(new string(msa.AlignedSequences[i].Select(a => (char)a).ToArray()));
            }
            Console.WriteLine("Alignment score Q is: {0}", MsaUtils.CalculateAlignmentScoreQ(msa.AlignedSequences, orgSequences));
            Console.WriteLine("Alignment score TC is: {0}", MsaUtils.CalculateAlignmentScoreTC(msa.AlignedSequences, orgSequences));

            ((FastAParser)parser).Dispose();

            if (File.Exists(outputFilePath))
            {
                File.Delete(outputFilePath);
            }
        }
Ejemplo n.º 7
0
        public void TestMuscleMultipleSequenceAlignmentRunningTime()
        {
            // Test on DNA benchmark dataset
            ISequenceParser parser = new FastaParser();
            //string filepath = @"testdata\FASTA\RunningTime\122.afa";
            string filepath = @"testdata\FASTA\RunningTime\BOX246.xml.afa";

            MoleculeType mt = MoleculeType.Protein;

            IList <ISequence> orgSequences = parser.Parse(filepath);

            List <ISequence> sequences = MsaUtils.UnAlign(orgSequences);

            //filepath = @"testdata\FASTA\RunningTime\12_raw.afa";
            //List<ISequence> sequences = parser.Parse(filepath);

            int numberOfSequences = orgSequences.Count;

            Console.WriteLine("Original sequences are:");
            for (int i = 0; i < numberOfSequences; ++i)
            {
                Console.WriteLine(sequences[i].ToString());
            }

            Console.WriteLine("Benchmark sequences are:");
            for (int i = 0; i < numberOfSequences; ++i)
            {
                Console.WriteLine(orgSequences[i].ToString());
            }

            PAMSAMMultipleSequenceAligner.FasterVersion = true;
            PAMSAMMultipleSequenceAligner.UseWeights    = false;
            PAMSAMMultipleSequenceAligner.UseStageB     = false;
            PAMSAMMultipleSequenceAligner.NumberOfCores = 2;

            int gapOpenPenalty   = -13;
            int gapExtendPenalty = -5;
            int kmerLength       = 2;

            int numberOfDegrees    = 2;  //Environment.ProcessorCount;
            int numberOfPartitions = 16; // Environment.ProcessorCount * 2;


            DistanceFunctionTypes      distanceFunctionName             = DistanceFunctionTypes.EuclideanDistance;
            UpdateDistanceMethodsTypes hierarchicalClusteringMethodName = UpdateDistanceMethodsTypes.Average;
            ProfileAlignerNames        profileAlignerName         = ProfileAlignerNames.NeedlemanWunschProfileAligner;
            ProfileScoreFunctionNames  profileProfileFunctionName = ProfileScoreFunctionNames.InnerProductFast;

            SimilarityMatrix similarityMatrix = null;

            switch (mt)
            {
            case (MoleculeType.DNA):
                similarityMatrix = new SimilarityMatrix(SimilarityMatrix.StandardSimilarityMatrix.AmbiguousDna);
                break;

            case (MoleculeType.RNA):
                similarityMatrix = new SimilarityMatrix(SimilarityMatrix.StandardSimilarityMatrix.AmbiguousRna);
                break;

            case (MoleculeType.Protein):
                similarityMatrix = new SimilarityMatrix(SimilarityMatrix.StandardSimilarityMatrix.Blosum62);
                break;

            default:
                throw new Exception("Invalid molecular type");
            }

            PAMSAMMultipleSequenceAligner msa = new PAMSAMMultipleSequenceAligner
                                                    (sequences, mt, kmerLength, distanceFunctionName, hierarchicalClusteringMethodName,
                                                    profileAlignerName, profileProfileFunctionName, similarityMatrix, gapOpenPenalty, gapExtendPenalty,
                                                    numberOfPartitions, numberOfDegrees);

            Console.WriteLine("The number of partitions is: {0}", numberOfPartitions);
            Console.WriteLine("The number of degrees is: {0}", numberOfDegrees);
            Console.WriteLine("Alignment score Q is: {0}", MsaUtils.CalculateAlignmentScoreQ(msa.AlignedSequences, orgSequences));
            Console.WriteLine("Alignment score TC is: {0}", MsaUtils.CalculateAlignmentScoreTC(msa.AlignedSequences, orgSequences));



            Console.WriteLine("Benchmark SPS score is: {0}", MsaUtils.MultipleAlignmentScoreFunction(orgSequences, similarityMatrix, gapOpenPenalty, gapExtendPenalty));
            Console.WriteLine("Aligned sequences in stage 1: {0}", msa.AlignmentScoreA);
            for (int i = 0; i < msa.AlignedSequencesA.Count; ++i)
            {
                Console.WriteLine(msa.AlignedSequencesA[i].ToString());
            }
            Console.WriteLine("Alignment score Q is: {0}", MsaUtils.CalculateAlignmentScoreQ(msa.AlignedSequencesA, orgSequences));
            Console.WriteLine("Alignment score TC is: {0}", MsaUtils.CalculateAlignmentScoreTC(msa.AlignedSequencesA, orgSequences));
            Console.WriteLine("Aligned sequences in stage 2: {0}", msa.AlignmentScoreB);
            for (int i = 0; i < msa.AlignedSequencesB.Count; ++i)
            {
                Console.WriteLine(msa.AlignedSequencesB[i].ToString());
            }
            Console.WriteLine("Alignment score Q is: {0}", MsaUtils.CalculateAlignmentScoreQ(msa.AlignedSequencesB, orgSequences));
            Console.WriteLine("Alignment score TC is: {0}", MsaUtils.CalculateAlignmentScoreTC(msa.AlignedSequencesB, orgSequences));
            Console.WriteLine("Aligned sequences in stage 3: {0}", msa.AlignmentScoreC);
            for (int i = 0; i < msa.AlignedSequencesC.Count; ++i)
            {
                Console.WriteLine(msa.AlignedSequencesC[i].ToString());
            }
            Console.WriteLine("Alignment score Q is: {0}", MsaUtils.CalculateAlignmentScoreQ(msa.AlignedSequencesC, orgSequences));
            Console.WriteLine("Alignment score TC is: {0}", MsaUtils.CalculateAlignmentScoreTC(msa.AlignedSequencesC, orgSequences));
            Console.WriteLine("Aligned sequences final: {0}", msa.AlignmentScore);
            for (int i = 0; i < msa.AlignedSequences.Count; ++i)
            {
                Console.WriteLine(msa.AlignedSequences[i].ToString());
            }
            Console.WriteLine("Alignment score Q is: {0}", MsaUtils.CalculateAlignmentScoreQ(msa.AlignedSequences, orgSequences));
            Console.WriteLine("Alignment score TC is: {0}", MsaUtils.CalculateAlignmentScoreTC(msa.AlignedSequences, orgSequences));
        }
Ejemplo n.º 8
0
        public void TestNeedlemanWunschProfileAligner()
        {
            Console.WriteLine("Number of logical processors: {0}", Environment.ProcessorCount);

            ISequence templateSequence = new Sequence(Alphabets.DNA, "ATGCSWRYKMBVHDN-");
            Dictionary <ISequenceItem, int> itemSet = new Dictionary <ISequenceItem, int>();

            for (int i = 0; i < templateSequence.Count; ++i)
            {
                itemSet.Add(templateSequence[i], i);
            }
            Profiles.ItemSet = itemSet;



            SimilarityMatrix similarityMatrix = new SimilarityMatrix(SimilarityMatrix.StandardSimilarityMatrix.AmbiguousDna);
            int gapOpenPenalty   = -3;
            int gapExtendPenalty = -1;

            IProfileAligner profileAligner = new NeedlemanWunschProfileAlignerSerial(similarityMatrix, ProfileScoreFunctionNames.WeightedInnerProduct,
                                                                                     gapOpenPenalty, gapExtendPenalty, Environment.ProcessorCount);

            ISequence seqA = new Sequence(Alphabets.DNA, "GGGAAAAATCAGATT");
            ISequence seqB = new Sequence(Alphabets.DNA, "GGGAATCAAAATCAG");

            List <ISequence> sequences = new List <ISequence>();

            sequences.Add(seqA);
            sequences.Add(seqB);

            IProfileAlignment profileAlignmentA = ProfileAlignment.GenerateProfileAlignment(sequences[0]);
            IProfileAlignment profileAlignmentB = ProfileAlignment.GenerateProfileAlignment(sequences[1]);

            profileAligner.Align(profileAlignmentA, profileAlignmentB);


            List <int> eStringSubtree  = profileAligner.GenerateEString(profileAligner.AlignedA);
            List <int> eStringSubtreeB = profileAligner.GenerateEString(profileAligner.AlignedB);

            List <ISequence> alignedSequences = new List <ISequence>();

            ISequence seq = profileAligner.GenerateSequenceFromEString(eStringSubtree, sequences[0]);

            alignedSequences.Add(seq);
            seq = profileAligner.GenerateSequenceFromEString(eStringSubtreeB, sequences[1]);
            alignedSequences.Add(seq);

            float profileScore = MsaUtils.MultipleAlignmentScoreFunction(alignedSequences, similarityMatrix, gapOpenPenalty, gapExtendPenalty);

            Console.WriteLine("alignment score is: {0}", profileScore);

            Console.WriteLine("the aligned sequences are:");
            for (int i = 0; i < alignedSequences.Count; ++i)
            {
                Console.WriteLine(alignedSequences[i].ToString());
            }

            ISequence expectedSeqA = new Sequence(Alphabets.DNA, "GGGAA---AAATCAGATT");
            ISequence expectedSeqB = new Sequence(Alphabets.DNA, "GGGAATCAAAATCAG---");

            // Test on case 3: 36 sequences
            ISequenceParser   parser       = new FastaParser();
            string            filepath     = @"testdata\FASTA\RV11_BBS_all.afa";
            IList <ISequence> orgSequences = parser.Parse(filepath);

            sequences = MsaUtils.UnAlign(orgSequences);

            int numberOfSequences = orgSequences.Count;

            Console.WriteLine("Original unaligned sequences are:");
            for (int i = 0; i < numberOfSequences; ++i)
            {
                Console.WriteLine(">");
                Console.WriteLine(sequences[i].ToString());
            }

            for (int i = 1; i < numberOfSequences - 1; ++i)
            {
                for (int j = i + 1; j < numberOfSequences; ++j)
                {
                    profileAlignmentA = ProfileAlignment.GenerateProfileAlignment(sequences[i]);
                    profileAlignmentB = ProfileAlignment.GenerateProfileAlignment(sequences[j]);

                    profileAligner = new NeedlemanWunschProfileAlignerSerial(similarityMatrix, ProfileScoreFunctionNames.WeightedInnerProduct,
                                                                             gapOpenPenalty, gapExtendPenalty, Environment.ProcessorCount);
                    profileAligner.Align(profileAlignmentA, profileAlignmentB);

                    eStringSubtree  = profileAligner.GenerateEString(profileAligner.AlignedA);
                    eStringSubtreeB = profileAligner.GenerateEString(profileAligner.AlignedB);

                    Console.WriteLine("Sequences lengths are: {0}-{1}", sequences[i].Count, sequences[j].Count);
                    Console.WriteLine("estring 1:");
                    for (int k = 0; k < eStringSubtree.Count; ++k)
                    {
                        Console.Write("{0}\t", eStringSubtree[k]);
                    }
                    Console.WriteLine("\nestring 2:");
                    for (int k = 0; k < eStringSubtreeB.Count; ++k)
                    {
                        Console.Write("{0}\t", eStringSubtreeB[k]);
                    }

                    alignedSequences = new List <ISequence>();

                    seq = profileAligner.GenerateSequenceFromEString(eStringSubtree, sequences[i]);
                    alignedSequences.Add(seq);
                    seq = profileAligner.GenerateSequenceFromEString(eStringSubtreeB, sequences[j]);
                    alignedSequences.Add(seq);

                    profileScore = MsaUtils.MultipleAlignmentScoreFunction(alignedSequences, similarityMatrix, gapOpenPenalty, gapExtendPenalty);

                    Console.WriteLine("\nalignment score is: {0}", profileScore);

                    Console.WriteLine("the aligned sequences are:");
                    for (int k = 0; k < alignedSequences.Count; ++k)
                    {
                        Console.WriteLine(alignedSequences[k].ToString());
                    }
                }
            }
        }
Ejemplo n.º 9
0
        public void TestMsaBenchMarkLargeDataset()
        {
            // Test on DNA benchmark dataset
            string filePathObj  = @"TestUtils\BOX032Small.xml.afa".TestDir();
            var    orgSequences = new FastAParser().Parse(filePathObj).ToList();

            var sequences         = MsaUtils.UnAlign(orgSequences);
            int numberOfSequences = orgSequences.Count;

            Assert.AreEqual(numberOfSequences, sequences.Count);

            string outputFilePath = Path.GetTempFileName();

            try
            {
                using (StreamWriter writer = new StreamWriter(outputFilePath, true))
                {
                    foreach (ISequence sequence in sequences)
                    {
                        // write sequence
                        writer.WriteLine(">" + sequence.ID);
                        for (int lineStart = 0; lineStart < sequence.Count; lineStart += 60)
                        {
                            writer.WriteLine(new String(sequence.Skip(lineStart).Take((int)Math.Min(60, sequence.Count - lineStart)).Select(a => (char)a).ToArray()));
                        }
                        writer.Flush();
                    }
                }
                sequences = new FastAParser().Parse(outputFilePath).ToList();
            }
            finally
            {
                File.Delete(outputFilePath);
            }

            Console.WriteLine("Original sequences are:");
            sequences.ForEach(Console.WriteLine);

            Console.WriteLine("Benchmark sequences are:");
            orgSequences.ForEach(Console.WriteLine);

            // Begin alignment
            PAMSAMMultipleSequenceAligner.FasterVersion = false;
            PAMSAMMultipleSequenceAligner.UseWeights    = false;
            PAMSAMMultipleSequenceAligner.UseStageB     = true;
            PAMSAMMultipleSequenceAligner.NumberOfCores = 2;

            int gapOpenPenalty     = -13;
            int gapExtendPenalty   = -5;
            int kmerLength         = 3;
            int numberOfDegrees    = 2;
            int numberOfPartitions = 16;

            SimilarityMatrix similarityMatrix = new SimilarityMatrix(SimilarityMatrix.StandardSimilarityMatrix.Blosum62);

            DistanceFunctionTypes      distanceFunctionName             = DistanceFunctionTypes.EuclideanDistance;
            UpdateDistanceMethodsTypes hierarchicalClusteringMethodName = UpdateDistanceMethodsTypes.Average;
            ProfileAlignerNames        profileAlignerName         = ProfileAlignerNames.NeedlemanWunschProfileAligner;
            ProfileScoreFunctionNames  profileProfileFunctionName = ProfileScoreFunctionNames.WeightedInnerProduct;

            PAMSAMMultipleSequenceAligner msa = new PAMSAMMultipleSequenceAligner
                                                    (sequences, kmerLength, distanceFunctionName, hierarchicalClusteringMethodName,
                                                    profileAlignerName, profileProfileFunctionName, similarityMatrix, gapOpenPenalty, gapExtendPenalty,
                                                    numberOfPartitions, numberOfDegrees);

            Console.WriteLine("Benchmark SPS score is: {0}", MsaUtils.MultipleAlignmentScoreFunction(orgSequences, similarityMatrix, gapOpenPenalty, gapExtendPenalty));

            Console.WriteLine("Aligned sequences in stage 1: {0}", msa.AlignmentScoreA);
            for (int i = 0; i < msa.AlignedSequencesA.Count; ++i)
            {
                Console.WriteLine(msa.AlignedSequencesA[i]);
            }
            Console.WriteLine("Alignment score Q is: {0}", MsaUtils.CalculateAlignmentScoreQ(msa.AlignedSequencesA, orgSequences));
            Console.WriteLine("Alignment score TC is: {0}", MsaUtils.CalculateAlignmentScoreTC(msa.AlignedSequencesA, orgSequences));

            Console.WriteLine("Aligned sequences in stage 2: {0}", msa.AlignmentScoreB);
            for (int i = 0; i < msa.AlignedSequencesB.Count; ++i)
            {
                Console.WriteLine(msa.AlignedSequencesB[i]);
            }
            Console.WriteLine("Alignment score Q is: {0}", MsaUtils.CalculateAlignmentScoreQ(msa.AlignedSequencesB, orgSequences));
            Console.WriteLine("Alignment score TC is: {0}", MsaUtils.CalculateAlignmentScoreTC(msa.AlignedSequencesB, orgSequences));

            Console.WriteLine("Aligned sequences in stage 3: {0}", msa.AlignmentScoreC);
            for (int i = 0; i < msa.AlignedSequencesC.Count; ++i)
            {
                Console.WriteLine(msa.AlignedSequencesC[i]);
            }
            Console.WriteLine("Alignment score Q is: {0}", MsaUtils.CalculateAlignmentScoreQ(msa.AlignedSequencesC, orgSequences));
            Console.WriteLine("Alignment score TC is: {0}", MsaUtils.CalculateAlignmentScoreTC(msa.AlignedSequencesC, orgSequences));

            Console.WriteLine("Aligned sequences final: {0}", msa.AlignmentScore);
            for (int i = 0; i < msa.AlignedSequences.Count; ++i)
            {
                Console.WriteLine(msa.AlignedSequences[i]);
            }
            Console.WriteLine("Alignment score Q is: {0}", MsaUtils.CalculateAlignmentScoreQ(msa.AlignedSequences, orgSequences));
            Console.WriteLine("Alignment score TC is: {0}", MsaUtils.CalculateAlignmentScoreTC(msa.AlignedSequences, orgSequences));
        }