AbsoluteQuantitationMethod.h

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// --------------------------------------------------------------------------
//                   OpenMS -- Open-Source Mass Spectrometry
// --------------------------------------------------------------------------
// Copyright The OpenMS Team -- Eberhard Karls University Tuebingen,
// ETH Zurich, and Freie Universitaet Berlin 2002-2018.
//
// This software is released under a three-clause BSD license:
//  * Redistributions of source code must retain the above copyright
//    notice, this list of conditions and the following disclaimer.
//  * Redistributions in binary form must reproduce the above copyright
//    notice, this list of conditions and the following disclaimer in the
//    documentation and/or other materials provided with the distribution.
//  * Neither the name of any author or any participating institution
//    may be used to endorse or promote products derived from this software
//    without specific prior written permission.
// For a full list of authors, refer to the file AUTHORS.
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// THIS SOFTWARE IS PROVIDED BY THE COPYRIGHT HOLDERS AND CONTRIBUTORS "AS IS"
// AND ANY EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT LIMITED TO, THE
// IMPLIED WARRANTIES OF MERCHANTABILITY AND FITNESS FOR A PARTICULAR PURPOSE
// ARE DISCLAIMED. IN NO EVENT SHALL ANY OF THE AUTHORS OR THE CONTRIBUTING
// INSTITUTIONS BE LIABLE FOR ANY DIRECT, INDIRECT, INCIDENTAL, SPECIAL,
// EXEMPLARY, OR CONSEQUENTIAL DAMAGES (INCLUDING, BUT NOT LIMITED TO,
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// --------------------------------------------------------------------------
// $Maintainer: Douglas McCloskey, Pasquale Domenico Colaianni $
// $Authors: Douglas McCloskey, Pasquale Domenico Colaianni $
// --------------------------------------------------------------------------

#pragma once

#include <OpenMS/config.h> // OPENMS_DLLAPI
#include <OpenMS/DATASTRUCTURES/String.h>
#include <OpenMS/DATASTRUCTURES/Param.h>

namespace OpenMS
{
  class OPENMS_DLLAPI AbsoluteQuantitationMethod
  {
public:
    AbsoluteQuantitationMethod(); 
    ~AbsoluteQuantitationMethod() = default; 

    inline bool operator==(const AbsoluteQuantitationMethod& other) const
    {
      return
        std::tie(
          component_name_,
          feature_name_,
          IS_name_,
          llod_,
          ulod_,
          lloq_,
          uloq_,
          n_points_,
          correlation_coefficient_,
          concentration_units_,
          transformation_model_,
          transformation_model_params_
        ) == std::tie(
          other.component_name_,
          other.feature_name_,
          other.IS_name_,
          other.llod_,
          other.ulod_,
          other.lloq_,
          other.uloq_,
          other.n_points_,
          other.correlation_coefficient_,
          other.concentration_units_,
          other.transformation_model_,
          other.transformation_model_params_
        )
      ;
    }

    inline bool operator!=(const AbsoluteQuantitationMethod& other) const
    {
      return !(*this == other);
    }

    void setComponentName(const String& component_name); 
    String getComponentName() const; 

    void setFeatureName(const String& feature_name); 
    String getFeatureName() const; 

    void setISName(const String& IS_name); 
    String getISName() const; 

    void setLLOD(const double llod); 
    double getLLOD() const; 
    void setULOD(const double ulod); 
    double getULOD() const; 
    bool checkLOD(const double value) const; 

    void setLLOQ(const double lloq); 
    double getLLOQ() const; 
    void setULOQ(const double uloq); 
    double getULOQ() const; 
    bool checkLOQ(const double value) const; 

    void setNPoints(const Int n_points); 
    Int getNPoints() const; 

    void setCorrelationCoefficient(const double correlation_coefficient); 
    double getCorrelationCoefficient() const; 

    void setConcentrationUnits(const String& concentration_units); 
    String getConcentrationUnits() const; 

    void setTransformationModel(const String& transformation_model); 
    String getTransformationModel() const; 

    void setTransformationModelParams(const Param& transformation_model_params); 
    Param getTransformationModelParams() const; 

private:
    String component_name_; 
    String feature_name_; 
    String IS_name_; 
    double llod_; 
    double ulod_; 
    double lloq_; 
    double uloq_; 
    Int n_points_; 
    double correlation_coefficient_; 
    String concentration_units_; 
    String transformation_model_; 
    Param transformation_model_params_; 
  };
}