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grppeptide.h
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/*******************************************************************************
* Copyright (c) 2015 Olivier Langella <Olivier.Langella@moulon.inra.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/>.
*
* Contributors:
* Olivier Langella <Olivier.Langella@moulon.inra.fr> - initial API and
*implementation
******************************************************************************/
#pragma once
#include <QString>
#include <memory>
#include "../types.h"
#include "../exportinmportconfig.h"
namespace pappso
{
class GrpPeptide;
typedef std::shared_ptr<const GrpPeptide> GrpPeptideSpConst;
typedef std::shared_ptr<GrpPeptide> GrpPeptideSp;
class PMSPP_LIB_DECL GrpPeptide
{
friend class GrpExperiment;
private:
unsigned int m_groupNumber = 0;
unsigned int m_rank = 0;
const QString m_sequence;
const pappso_double m_mass;
protected:
GrpPeptide(QString sequence, pappso_double mass);
public:
~GrpPeptide();
const QString &getSequence() const;
/** \brief sort grp peptides between each other
* sorts by peptide LI sequence and mass
*/
bool operator<(const GrpPeptide &other) const;
void setRank(unsigned int i);
void setGroupNumber(unsigned int i);
const QString getGroupingId() const;
unsigned int getGroupNumber() const;
unsigned int getRank() const;
};
} // namespace pappso
pappso::GrpExperiment
Definition grpexperiment.h:42
pappso::GrpPeptide
Definition grppeptide.h:43
pappso::GrpPeptide::m_mass
const pappso_double m_mass
Definition grppeptide.h:51
pappso::GrpPeptide::m_sequence
const QString m_sequence
Definition grppeptide.h:50
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::operator<
bool operator<(Aa const &l, Aa const &r)
Definition aa.cpp:348
pappso::GrpPeptideSpConst
std::shared_ptr< const GrpPeptide > GrpPeptideSpConst
Definition grppeptide.h:39
pappso::GrpPeptideSp
std::shared_ptr< GrpPeptide > GrpPeptideSp
Definition grppeptide.h:40
pappso::pappso_double
double pappso_double
A type definition for doubles.
Definition types.h:50