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filterremovec13.h
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/**
* \file pappsomspp/processing/filters/filterremovec13.h
* \date 19/08/2020
* \author Olivier Langella
* \brief sum peaks under a triangle base
*/
/*******************************************************************************
* Copyright (c) 2020 Olivier Langella <Olivier.Langella@u-psud.fr>.
*
* This file is part of the PAPPSOms++ library.
*
* PAPPSOms++ is free software: you can redistribute it and/or modify
* it under the terms of the GNU General Public License as published by
* the Free Software Foundation, either version 3 of the License, or
* (at your option) any later version.
*
* PAPPSOms++ is distributed in the hope that it will be useful,
* but WITHOUT ANY WARRANTY; without even the implied warranty of
* MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the
* GNU General Public License for more details.
*
* You should have received a copy of the GNU General Public License
* along with PAPPSOms++. If not, see <http://www.gnu.org/licenses/>.
*
******************************************************************************/
#pragma once
#include "filterinterface.h"
#include "../../trace/trace.h"
/**
* @brief tries to keep as much as possible monoisotopes, removing any possible
* C13 peaks
*
* first sort peaks by decreasing intensities, then keep most intense ones and
* avoid any peaks in possible C13 windows after
*/
namespace pappso
{
class PMSPP_LIB_DECL FilterRemoveC13 : public FilterInterface
{
public:
/**
* Default constructor
*/
FilterRemoveC13(PrecisionPtr precision_ptr);
/**
* Copy constructor
*
* @param other TODO
*/
FilterRemoveC13(const FilterRemoveC13 &other);
/**
* Destructor
*/
virtual ~FilterRemoveC13();
Trace &filter(Trace &data_points) const override;
private:
bool notExcluded(std::vector<std::pair<double, double>> &exclusionMassMap,
double mass) const;
void addExclusionMap(std::vector<std::pair<double, double>> &exclusionMassMap,
double mass) const;
private:
double m_diffC12C13_z1;
double m_diffC12C13_z2;
PrecisionPtr m_precisionPtr;
};
} // namespace pappso
pappso::FilterInterface
generic interface to apply a filter on a trace
Definition filterinterface.h:40
pappso::FilterRemoveC13::notExcluded
bool notExcluded(std::vector< std::pair< double, double > > &exclusionMassMap, double mass) const
Definition filterremovec13.cpp:78
pappso::FilterRemoveC13::addExclusionMap
void addExclusionMap(std::vector< std::pair< double, double > > &exclusionMassMap, double mass) const
Definition filterremovec13.cpp:92
pappso::FilterRemoveC13::m_diffC12C13_z2
double m_diffC12C13_z2
Definition filterremovec13.h:75
pappso::FilterRemoveC13::m_diffC12C13_z1
double m_diffC12C13_z1
Definition filterremovec13.h:74
pappso::FilterRemoveC13::filter
Trace & filter(Trace &data_points) const override
Definition filterremovec13.cpp:51
pappso::FilterRemoveC13::m_precisionPtr
PrecisionPtr m_precisionPtr
Definition filterremovec13.h:76
pappso::FilterRemoveC13::FilterRemoveC13
FilterRemoveC13(PrecisionPtr precision_ptr)
Definition filterremovec13.cpp:33
pappso::Trace
A simple container of DataPoint instances.
Definition trace.h:152
PMSPP_LIB_DECL
#define PMSPP_LIB_DECL
Definition export-import-config.h:14
filterinterface.h
pappso
tries to keep as much as possible monoisotopes, removing any possible C13 peaks and changes multichar...
Definition aa.cpp:39
pappso::PrecisionPtr
const PrecisionBase * PrecisionPtr
Definition precision.h:122
trace.h