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ComplementFilter.h (Maintainer: Andreas Bertsch)

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00001 // -*- Mode: C++; tab-width: 2; -*-
00002 // vi: set ts=2:
00003 //
00004 // --------------------------------------------------------------------------
00005 //                   OpenMS Mass Spectrometry Framework
00006 // --------------------------------------------------------------------------
00007 //  Copyright (C) 2003-2008 -- Oliver Kohlbacher, Knut Reinert
00008 //
00009 //  This library is free software; you can redistribute it and/or
00010 //  modify it under the terms of the GNU Lesser General Public
00011 //  License as published by the Free Software Foundation; either
00012 //  version 2.1 of the License, or (at your option) any later version.
00013 //
00014 //  This library is distributed in the hope that it will be useful,
00015 //  but WITHOUT ANY WARRANTY; without even the implied warranty of
00016 //  MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE.  See the GNU
00017 //  Lesser General Public License for more details.
00018 //
00019 //  You should have received a copy of the GNU Lesser General Public
00020 //  License along with this library; if not, write to the Free Software
00021 //  Foundation, Inc., 59 Temple Place, Suite 330, Boston, MA  02111-1307  USA
00022 //
00023 // --------------------------------------------------------------------------
00024 // $Maintainer: Andreas Bertsch $
00025 // --------------------------------------------------------------------------
00026 //
00027 #ifndef OPENMS_FILTERING_TRANSFORMERS_COMPLEMENTFILTER_H
00028 #define OPENMS_FILTERING_TRANSFORMERS_COMPLEMENTFILTER_H
00029 
00030 #include <OpenMS/FILTERING/TRANSFORMERS/FilterFunctor.h>
00031 
00032 #include <map>
00033 #include <cmath>
00034 
00035 namespace OpenMS
00036 {
00044   class ComplementFilter : public FilterFunctor
00045   {
00046   public:
00047 
00048     // @name Constructors and Destructors
00050 
00051     ComplementFilter();
00052 
00054     ComplementFilter(const ComplementFilter& source);
00055 
00057     virtual ~ComplementFilter();
00059 
00060     // @name Operators
00062 
00063     ComplementFilter& operator = (const ComplementFilter& source);
00065 
00066     // @name Accessors
00068     static FilterFunctor* create() { return new ComplementFilter(); }
00069 
00071     template <typename SpectrumType> double apply(SpectrumType& spectrum)
00072     {
00073       if (spectrum.size() < 2)
00074       {
00075         return 0;
00076       }
00077       double tolerance = (double)param_.getValue("tolerance");
00078       double parentmass = spectrum.getPrecursorPeak().getPosition()[0];
00079       double result(0);
00080     
00081       spectrum.getContainer().sortByPosition();
00082   
00084       uint j = spectrum.size() - 1;
00085       for (uint i = 0; i < spectrum.size() && i <= j; /*++i*/)
00086       {
00087         double sum = spectrum.getContainer()[i].getPosition()[0] + spectrum.getContainer()[j].getPosition()[0];
00088         
00089         if (std::fabs(sum - parentmass) < tolerance)
00090         {
00091           result += spectrum.getContainer()[i].getIntensity() + spectrum.getContainer()[j].getIntensity();
00092         }
00093         
00094         if (sum < parentmass)
00095         {
00096            ++i;
00097         }
00098         else 
00099         {
00100           if (sum > parentmass)
00101           {
00102             --j;
00103           }
00104         } 
00105       }
00106       
00107       return result;
00108     }
00109 
00111     static const String getProductName()
00112     {
00113       return "ComplementFilter";
00114     }
00116 
00117   };
00118 }
00119 #endif // OPENMS_FILTERING_TRANSFORMERS_COMPLEMENTFILTER_H

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