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ILPDCWrapper.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: Chris Bielow $
00032 // $Authors: Chris Bielow $
00033 // --------------------------------------------------------------------------
00034 
00035 #ifndef OPENMS_ANALYSIS_DECHARGING_ILPDCWRAPPER_H
00036 #define OPENMS_ANALYSIS_DECHARGING_ILPDCWRAPPER_H
00037 
00038 #include <vector>
00039 #include <OpenMS/DATASTRUCTURES/ChargePair.h>
00040 
00041 
00042 namespace OpenMS
00043 {
00044 
00045   class MassExplainer;
00046 
00047   class OPENMS_DLLAPI ILPDCWrapper
00048   {
00049 
00050 public:
00051     typedef std::vector<ChargePair> PairsType;
00052     typedef PairsType::size_type PairsIndex;
00053 
00055     ILPDCWrapper();
00056 
00058     virtual ~ILPDCWrapper();
00059 
00064     DoubleReal compute(const FeatureMap<> fm, PairsType & pairs, Size verbose_level) const;
00065 
00066 private:
00067 
00069     DoubleReal computeSlice_(const FeatureMap<> fm,
00070                              PairsType & pairs,
00071                              const PairsIndex margin_left,
00072                              const PairsIndex margin_right,
00073                              const Size verbose_level) const;
00074 
00076     DoubleReal computeSliceOld_(const FeatureMap<> fm,
00077                                 PairsType & pairs,
00078                                 const PairsIndex margin_left,
00079                                 const PairsIndex margin_right,
00080                                 const Size verbose_level) const;
00081 
00083     DoubleReal getLogScore_(const PairsType::value_type & pair, const FeatureMap<> & fm) const;
00084 
00085     typedef Map<String, std::set<Size> > FeatureType_;
00086 
00087     // add another charge annotation variant for a feature
00088     void updateFeatureVariant_(FeatureType_ & f_set, const String & rota_l, const Size & v) const;
00089 
00090 
00091 
00092   };   // !class
00093 
00094 } // !namespace
00095 
00096 #endif // OPENMS_ANALYSIS_DECHARGING_ILPDCWRAPPER_H

OpenMS / TOPP release 1.10.0 Documentation generated on Thu Mar 7 2013 09:42:40 using doxygen 1.7.1