AbsoluteQuantitationMethod.h

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// Copyright (c) 2002-2023, The OpenMS Team -- EKU Tuebingen, ETH Zurich, and FU Berlin
// SPDX-License-Identifier: BSD-3-Clause
//
// --------------------------------------------------------------------------
// $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:
    bool operator==(const AbsoluteQuantitationMethod& other) const;
    bool operator!=(const AbsoluteQuantitationMethod& other) const;
 
    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:
    Param transformation_model_params_; 
    String component_name_; 
    String feature_name_; 
    String IS_name_; 
    String concentration_units_; 
    String transformation_model_; 
    double llod_ { 0.0 }; 
    double ulod_ { 0.0 }; 
    double lloq_ { 0.0 }; 
    double uloq_ { 0.0 }; 
    double correlation_coefficient_ { 0.0 }; 
    Int n_points_ { 0 }; 
  };
}