libpappsomspp
Library for mass spectrometry
filterpseudocentroid.h
Go to the documentation of this file.
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/**
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* \file pappsomspp/filers/filterpseudocentroid.h
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* \date 7/12/2019
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* \author Olivier Langella
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* \brief apply a pseudo centroid algorithm on a tims tof spectrum
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* actually this class is a wrapper for proteowizard ralab::base::ms::PeakPicker
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* class
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*/
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/*******************************************************************************
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* Copyright (c) 2019 Olivier Langella <Olivier.Langella@u-psud.fr>.
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*
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* This file is part of the PAPPSOms++ library.
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*
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* PAPPSOms++ is free software: you can redistribute it and/or modify
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* it under the terms of the GNU General Public License as published by
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* the Free Software Foundation, either version 3 of the License, or
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* (at your option) any later version.
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*
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* PAPPSOms++ is distributed in the hope that it will be useful,
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* but WITHOUT ANY WARRANTY; without even the implied warranty of
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* MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the
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* GNU General Public License for more details.
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*
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* You should have received a copy of the GNU General Public License
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* along with PAPPSOms++. If not, see <http://www.gnu.org/licenses/>.
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*
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******************************************************************************/
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#pragma once
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#include "
filterinterface.h
"
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#include "../../trace/trace.h"
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namespace
pappso
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{
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/**
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* @todo write docs
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*/
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class
PMSPP_LIB_DECL
FilterPseudoCentroid
:
public
FilterInterface
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{
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public
:
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/**
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* Default constructor
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*/
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FilterPseudoCentroid
(
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double
resolution,
//!< instrument resolution
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double
smoothwidth = 2.,
//!< smoothwidth
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double
integrationWidth = 4,
//! integration width
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double
intensityThreshold = 10.,
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bool
area =
true
,
//!< do you want to store are or intensity
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uint32_t maxnumberofpeaks = 0
//!< max number of peaks returned by picker
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);
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/**
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* Copy constructor
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*
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* @param other TODO
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*/
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FilterPseudoCentroid
(
const
FilterPseudoCentroid
&other);
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/**
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* Destructor
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*/
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~
FilterPseudoCentroid
();
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Trace
&filter(
Trace
&data_points)
const override
;
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private
:
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double
m_resolution
;
//!< instrument resolution
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double
m_smoothwidth = 2.;
//!< smoothwidth
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double
m_integrationWidth = 4;
//! integration width
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double
m_intensityThreshold = 10.;
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bool
m_area =
true
;
//!< do you want to store are or intensity
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uint32_t m_maxnumberofpeaks = 0;
//!< max number of peaks returned by picker
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};
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}
// namespace pappso
pappso::FilterPseudoCentroid::m_resolution
double m_resolution
instrument resolution
Definition:
filterpseudocentroid.h:71
pappso::FilterPseudoCentroid
Definition:
filterpseudocentroid.h:41
PMSPP_LIB_DECL
#define PMSPP_LIB_DECL
Definition:
exportinmportconfig.h:14
pappso
tries to keep as much as possible monoisotopes, removing any possible C13 peaks and changes multichar...
Definition:
aa.cpp:39
pappso::FilterInterface
generic interface to apply a filter on a trace
Definition:
filterinterface.h:40
pappso::Trace
A simple container of DataPoint instances.
Definition:
trace.h:132
filterinterface.h
pappsomspp
processing
filters
filterpseudocentroid.h
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