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tracepeak.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 "../../exportinmportconfig.h"
#include "../../trace/trace.h"
#include "../../types.h"
namespace pappso
{
class TracePeak;
typedef std::shared_ptr<const TracePeak> TracePeakCstSPtr;
/** @/brief Xic Peak stores peak boudaries detected from a Xic
* */
class PMSPP_LIB_DECL TracePeak
{
public:
TracePeak();
/** @brief construct a peak given a trace, begin and end x coordinate
*/
TracePeak(std::vector<DataPoint>::const_iterator it_begin,
std::vector<DataPoint>::const_iterator it_end);
/** @brief construct a peak given a trace, begin and end x coordinate
*
* @param it_begin begining of trace
* @param it_end end of trace
* @param remove_base if true, remove the base peak signal
*/
TracePeak(std::vector<DataPoint>::const_iterator it_begin,
std::vector<DataPoint>::const_iterator it_end,
bool remove_base);
TracePeak(const TracePeak &other);
~TracePeak();
TracePeakCstSPtr makeTracePeakCstSPtr() const;
DataPoint &getMaxXicElement();
const DataPoint &getMaxXicElement() const;
void setMaxXicElement(const DataPoint &max);
DataPoint &getLeftBoundary();
const DataPoint &getLeftBoundary() const;
void setLeftBoundary(const DataPoint &left);
DataPoint &getRightBoundary();
const DataPoint &getRightBoundary() const;
void setRightBoundary(const DataPoint &right);
pappso_double getArea() const;
void setArea(pappso_double area);
bool containsRt(pappso::pappso_double rt) const;
bool operator==(const TracePeak &other) const;
TracePeak &operator=(const TracePeak &other);
protected:
pappso_double m_area = 0;
DataPoint m_max;
DataPoint m_left;
DataPoint m_right;
};
} // namespace pappso
pappso::TracePeak
Definition tracepeak.h:40
pappso::TracePeak::m_left
DataPoint m_left
Definition tracepeak.h:90
pappso::TracePeak::m_max
DataPoint m_max
Definition tracepeak.h:89
pappso::TracePeak::m_right
DataPoint m_right
Definition tracepeak.h:91
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::pappso_double
double pappso_double
A type definition for doubles.
Definition types.h:50
pappso::DataKind::rt
@ rt
Retention time.
pappso::operator==
bool operator==(Aa const &l, Aa const &r)
Definition aa.cpp:342
pappso::TracePeakCstSPtr
std::shared_ptr< const TracePeak > TracePeakCstSPtr
Definition tracepeak.h:35
pappso::XicExtractMethod::max
@ max
maximum of intensities
pappso::DataPoint
Definition datapoint.h:22