ModifierRep.h

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//                   OpenMS -- Open-Source Mass Spectrometry
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// $Maintainer: Timo Sachsenberg$
// $Authors: Andreas Bertsch$
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#ifndef OPENMS_CHEMISTRY_MODIFIERREP_H
#define OPENMS_CHEMISTRY_MODIFIERREP_H

#include <map>
#include <vector>
#include <OpenMS/DATASTRUCTURES/String.h>

namespace OpenMS
{

  class OPENMS_DLLAPI ModifierRep
  {

public:
    ModifierRep();
    ModifierRep(const ModifierRep & source);
    virtual ~ModifierRep();

    void setNumberOfModifications(Size i);

    Size getNumberOfModifications() const;

    const std::vector<std::vector<double> > & getModificationTable();
    void refreshModificationList(std::map<double, SignedSize> & mod_map, const char & c);

    Size getMaxModificationMasses();

    std::vector<String> getModificationsForMass(double & m);

    std::vector<String> getModificationsForMass(double & m, const String & seq);


protected:

    std::vector<std::vector<double> > modification_table_; 

    Size number_of_modifications_; 

    std::map<String, std::vector<String> > mass_mapping_; 

  };

}

#endif //OPENMS_CHEMISTRY_MODIFIERREP_H