/usr/include/OpenMS/TRANSFORMATIONS/FEATUREFINDER/EmgModel.h is in libopenms-dev 1.11.1-3.
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// OpenMS -- Open-Source Mass Spectrometry
// --------------------------------------------------------------------------
// Copyright The OpenMS Team -- Eberhard Karls University Tuebingen,
// ETH Zurich, and Freie Universitaet Berlin 2002-2013.
//
// 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.
// --------------------------------------------------------------------------
// 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,
// PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES; LOSS OF USE, DATA, OR PROFITS;
// OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND ON ANY THEORY OF LIABILITY,
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// ADVISED OF THE POSSIBILITY OF SUCH DAMAGE.
//
// --------------------------------------------------------------------------
// $Maintainer: Clemens Groepl $
// $Authors: $
// --------------------------------------------------------------------------
#ifndef OPENMS_TRANSFORMATIONS_FEATUREFINDER_EMGMODEL_H
#define OPENMS_TRANSFORMATIONS_FEATUREFINDER_EMGMODEL_H
#include <OpenMS/TRANSFORMATIONS/FEATUREFINDER/InterpolationModel.h>
#include <OpenMS/MATH/STATISTICS/BasicStatistics.h>
namespace OpenMS
{
/**
@brief Exponentially modified gaussian distribution model for elution profiles.
@htmlinclude OpenMS_EmgModel.parameters
*/
class OPENMS_DLLAPI EmgModel :
public InterpolationModel
{
public:
typedef InterpolationModel::CoordinateType CoordinateType;
typedef Math::BasicStatistics<CoordinateType> BasicStatistics;
typedef LinearInterpolation::container_type ContainerType;
/// Default constructor
EmgModel();
/// copy constructor
EmgModel(const EmgModel & source);
/// destructor
virtual ~EmgModel();
/// assignment operator
virtual EmgModel & operator=(const EmgModel & source);
/// create new EmgModel object (needed by Factory)
static BaseModel<1> * create()
{
return new EmgModel();
}
/// name of the model (needed by Factory)
static const String getProductName()
{
return "EmgModel";
}
/// set offset without being computing all over and without any discrepancy
void setOffset(CoordinateType offset);
/// set sample/supporting points of interpolation
void setSamples();
/// get the center of the Gaussian model i.e. the position of the maximum
CoordinateType getCenter() const;
protected:
CoordinateType min_;
CoordinateType max_;
BasicStatistics statistics_;
CoordinateType height_;
CoordinateType width_;
CoordinateType symmetry_;
CoordinateType retention_;
void updateMembers_();
};
}
#endif // OPENMS_TRANSFORMATIONS_FEATUREFINDER_EMGMODEL_H
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