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PILISIdentification.h

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00001 // --------------------------------------------------------------------------
00002 //                   OpenMS -- Open-Source Mass Spectrometry
00003 // --------------------------------------------------------------------------
00004 // Copyright The OpenMS Team -- Eberhard Karls University Tuebingen,
00005 // ETH Zurich, and Freie Universitaet Berlin 2002-2012.
00006 //
00007 // This software is released under a three-clause BSD license:
00008 //  * Redistributions of source code must retain the above copyright
00009 //    notice, this list of conditions and the following disclaimer.
00010 //  * Redistributions in binary form must reproduce the above copyright
00011 //    notice, this list of conditions and the following disclaimer in the
00012 //    documentation and/or other materials provided with the distribution.
00013 //  * Neither the name of any author or any participating institution
00014 //    may be used to endorse or promote products derived from this software
00015 //    without specific prior written permission.
00016 // For a full list of authors, refer to the file AUTHORS.
00017 // --------------------------------------------------------------------------
00018 // THIS SOFTWARE IS PROVIDED BY THE COPYRIGHT HOLDERS AND CONTRIBUTORS "AS IS"
00019 // AND ANY EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT LIMITED TO, THE
00020 // IMPLIED WARRANTIES OF MERCHANTABILITY AND FITNESS FOR A PARTICULAR PURPOSE
00021 // ARE DISCLAIMED. IN NO EVENT SHALL ANY OF THE AUTHORS OR THE CONTRIBUTING
00022 // INSTITUTIONS BE LIABLE FOR ANY DIRECT, INDIRECT, INCIDENTAL, SPECIAL,
00023 // EXEMPLARY, OR CONSEQUENTIAL DAMAGES (INCLUDING, BUT NOT LIMITED TO,
00024 // PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES; LOSS OF USE, DATA, OR PROFITS;
00025 // OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND ON ANY THEORY OF LIABILITY,
00026 // WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT (INCLUDING NEGLIGENCE OR
00027 // OTHERWISE) ARISING IN ANY WAY OUT OF THE USE OF THIS SOFTWARE, EVEN IF
00028 // ADVISED OF THE POSSIBILITY OF SUCH DAMAGE.
00029 //
00030 // --------------------------------------------------------------------------
00031 // $Maintainer: Andreas Bertsch $
00032 // $Authors: Andreas Bertsch $
00033 // --------------------------------------------------------------------------
00034 
00035 
00036 #ifndef OPENMS_ANALYSIS_ID_PILISIDENTIFICATION_H
00037 #define OPENMS_ANALYSIS_ID_PILISIDENTIFICATION_H
00038 
00039 #include <OpenMS/ANALYSIS/ID/PILISModel.h>
00040 #include <OpenMS/METADATA/PeptideIdentification.h>
00041 #include <OpenMS/KERNEL/StandardTypes.h>
00042 
00043 #include <vector>
00044 #include <map>
00045 
00046 namespace OpenMS
00047 {
00048   // forward declarations
00049   class PeakSpectrumCompareFunctor;
00050 
00061   class OPENMS_DLLAPI PILISIdentification :
00062     public DefaultParamHandler
00063   {
00064 
00065 public:
00066 
00070 
00071     PILISIdentification();
00072 
00074     PILISIdentification(const PILISIdentification & source);
00075 
00077     virtual ~PILISIdentification();
00079 
00081     PILISIdentification & operator=(const PILISIdentification & source);
00082 
00086 
00087     //void setSequenceDB(const SuffixArrayPeptideFinder& sapf);
00088 
00090     void setModel(PILISModel * hmm_model);
00091 
00093     void getIdentifications(const std::vector<std::map<String, UInt> > & candidates, std::vector<PeptideIdentification> & ids, const RichPeakMap & exp);
00094 
00096     void getIdentification(const std::map<String, UInt> & candidates, PeptideIdentification & id, const RichPeakSpectrum & spectrum);
00098 
00099 protected:
00100 
00102     void getSpectrum_(RichPeakSpectrum & spec, const String & sequence, int charge);
00103 
00105     void getPreIdentification_(PeptideIdentification & id, const RichPeakSpectrum & spec, const std::map<String, UInt> & cand_peptides);
00106 
00108     void getFinalIdentification_(PeptideIdentification & id, const RichPeakSpectrum & spec, const PeptideIdentification & pre_id);
00109 
00111     PILISModel * getPILISModel_();
00112 
00114     //PILISSequenceDB* getSequenceDB_();
00115     //SuffixArrayPeptideFinder* getSequenceDB_();
00116 
00118     //PILISSequenceDB* sequence_db_;
00119     //SuffixArrayPeptideFinder sapf_;
00120 
00122     PILISModel * hmm_model_;
00123 
00125     Map<char, double> aa_weight_;
00126 
00128     PeakSpectrumCompareFunctor * pre_scorer_;
00129 
00131     PeakSpectrumCompareFunctor * scorer_;
00132 
00134     RichPeak1D p_;
00135 
00137     std::vector<RichPeakSpectrum> sim_specs_;
00138 
00140     bool own_sequence_db_;
00141 
00143     bool own_model_;
00144 
00146     void updateMembers_();
00147   };
00148 }
00149 
00150 #endif

OpenMS / TOPP release 1.10.0 Documentation generated on Thu Mar 7 2013 09:42:43 using doxygen 1.7.1