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qualifiedxic.h
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/*
* *******************************************************************************
* * Copyright (c) 2015 Olivier Langella <Olivier.Langella@moulon.inra.fr>.
* *
* * This file is part of MassChroqPRM.
* *
* * MassChroqPRM 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.
* *
* * MassChroqPRM 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 MassChroqPRM. If not, see <http://www.gnu.org/licenses/>.
* *
* * Contributors:
* * Olivier Langella <Olivier.Langella@moulon.inra.fr> - initial API and
* implementation
* ******************************************************************************/
#pragma once
#include <vector>
#include <memory>
#include "xic.h"
#include "../msrun/msrunid.h"
#include "../mzrange.h"
#include "../peptide/peptide.h"
#include "../psm/peakionmatch.h"
namespace pappso
{
class QualifiedXic;
typedef std::shared_ptr<Xic> QualifiedXicSp;
class QualifiedXic
{
private:
const MsRunId m_msRunId;
pappso_double m_mz;
PrecisionPtr mp_precision;
XicSPtr msp_xic;
public:
QualifiedXic(const MsRunId &msrun_id,
pappso_double mz,
PrecisionPtr precision);
virtual ~QualifiedXic();
QualifiedXic(const QualifiedXic &toCopy);
pappso_double
getMz() const
{
return m_mz;
};
const XicCstSPtr
getXicCstSPtr() const
{
return msp_xic;
}
const XicSPtr &
getXicSPtr() const
{
return msp_xic;
}
};
} // namespace pappso
pappso::MsRunId
MS run identity MsRunId identifies an MS run with a unique ID (XmlId) and contains eventually informa...
Definition msrunid.h:54
pappso::PrecisionBase
Definition precision.h:44
pappso::QualifiedXic
Definition qualifiedxic.h:45
pappso::QualifiedXic::mp_precision
PrecisionPtr mp_precision
Definition qualifiedxic.h:49
pappso::QualifiedXic::msp_xic
XicSPtr msp_xic
Definition qualifiedxic.h:51
pappso::QualifiedXic::getXicCstSPtr
const XicCstSPtr getXicCstSPtr() const
Definition qualifiedxic.h:67
pappso::QualifiedXic::getXicSPtr
const XicSPtr & getXicSPtr() const
Definition qualifiedxic.h:73
pappso::QualifiedXic::m_msRunId
const MsRunId m_msRunId
Definition qualifiedxic.h:47
pappso::QualifiedXic::~QualifiedXic
virtual ~QualifiedXic()
Definition qualifiedxic.cpp:44
pappso::QualifiedXic::getMz
pappso_double getMz() const
Definition qualifiedxic.h:62
pappso::QualifiedXic::m_mz
pappso_double m_mz
Definition qualifiedxic.h:48
pappso
tries to keep as much as possible monoisotopes, removing any possible C13 peaks and changes multichar...
Definition aa.cpp:39
pappso::PrecisionUnit::mz
@ mz
pappso::QualifiedXicSp
std::shared_ptr< Xic > QualifiedXicSp
Definition qualifiedxic.h:42
pappso::XicCstSPtr
std::shared_ptr< const Xic > XicCstSPtr
Definition xic.h:38
pappso::pappso_double
double pappso_double
A type definition for doubles.
Definition types.h:50
pappso::XicSPtr
std::shared_ptr< Xic > XicSPtr
Definition xic.h:39
xic.h