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 |