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Modification.h (Maintainer: Marc Sturm)

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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: Marc Sturm $
00025 // --------------------------------------------------------------------------
00026 
00027 #ifndef OPENMS_METADATA_MODIFICATION_H
00028 #define OPENMS_METADATA_MODIFICATION_H
00029 
00030 #include <OpenMS/METADATA/SampleTreatment.h>
00031 
00032 #include <OpenMS/DATASTRUCTURES/String.h>
00033 
00034 namespace OpenMS 
00035 {
00044   class Modification: public SampleTreatment
00045   {
00046     public:
00048       enum SpecificityType {
00049         AA 
00050         ,AA_AT_CTERM 
00051         ,AA_AT_NTERM 
00052         ,CTERM 
00053         ,NTERM 
00054         ,SIZE_OF_SPECIFICITYTYPE
00055         };
00057       static const std::string NamesOfSpecificityType[SIZE_OF_SPECIFICITYTYPE];
00058       
00060       Modification();
00062       Modification(const Modification&);
00064       virtual ~Modification();
00065       
00067       Modification& operator=(const Modification&);
00068       
00075       virtual bool operator== (const SampleTreatment& rhs) const;
00076         
00078       virtual SampleTreatment* clone() const;
00079       
00081       const String& getReagentName() const;
00083       void setReagentName(const String& reagent_name);
00084       
00086       float getMass() const;
00088       void setMass(float mass);
00089     
00091       const SpecificityType& getSpecificityType() const;
00093       void setSpecificityType(const SpecificityType& specificity_type);
00094       
00096       const String& getAffectedAminoAcids() const;
00098       void setAffectedAminoAcids(const String& affected_amino_acids);
00099 
00100     protected:
00101       String reagent_name_;
00102       float mass_;
00103       SpecificityType specificity_type_;
00104       String affected_amino_acids_;
00105   };
00106 } // namespace OpenMS
00107 
00108 #endif // OPENMS_METADATA_MODIFICATION_H
00109 
00110 
00111 

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