PrecursorRecalculator.hpp

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//
// $Id: PrecursorRecalculator.hpp 3235 2012-01-25 13:44:50Z broter $
//
//
// Original author: Darren Kessner <darren@proteowizard.org>
//
// Copyright 2008 Spielberg Family Center for Applied Proteomics
//   Cedars-Sinai Medical Center, Los Angeles, California  90048
//
// Licensed under the Apache License, Version 2.0 (the "License"); 
// you may not use this file except in compliance with the License. 
// You may obtain a copy of the License at 
//
// http://www.apache.org/licenses/LICENSE-2.0
//
// Unless required by applicable law or agreed to in writing, software 
// distributed under the License is distributed on an "AS IS" BASIS, 
// WITHOUT WARRANTIES OR CONDITIONS OF ANY KIND, either express or implied. 
// See the License for the specific language governing permissions and 
// limitations under the License.
//


#ifndef _PRECURSORRECALCULATOR_HPP_ 
#define _PRECURSORRECALCULATOR_HPP_ 


#include "pwiz/data/msdata/MSData.hpp"


namespace pwiz {
namespace analysis {


class PWIZ_API_DECL PrecursorRecalculator
{
    public:

    struct PWIZ_API_DECL PrecursorInfo
    {
        double mz;
        double intensity;
        int charge;
        double score;

        PrecursorInfo() : mz(0), intensity(0), charge(0), score(0) {}
    };

    typedef pwiz::msdata::MZIntensityPair MZIntensityPair;

    virtual void recalculate(const MZIntensityPair* begin,
                             const MZIntensityPair* end,
                             const PrecursorInfo& initialEstimate,
                             std::vector<PrecursorInfo>& result) const = 0;

    virtual ~PrecursorRecalculator() {}
}; 


} // namespace analysis 
} // namespace pwiz


#endif // _PRECURSORRECALCULATOR_HPP_