pappso::MzRange Class Reference

#include <mzrange.h>

Public Member Functions
	MzRange (pappso_double mz, PrecisionPtr precision)
	MzRange (pappso_double mz, pappso_double delta)
	Construct a MzRange object with mz and delta.
	MzRange (pappso_double mz, PrecisionPtr precision_lower, PrecisionPtr precision_upper)
	Constructs MzRange object using 2 different precisions: lower and upper.
	MzRange (const MzRange &other)
virtual	~MzRange ()
MzRange &	operator= (const MzRange &other)
MzRange &	operator+= (const MzRange &other)
MzRange &	operator*= (double number)
pappso_double	getMz () const
bool	contains (pappso_double) const
QString	toString () const
pappso_double	lower () const
pappso_double	upper () const

Private Attributes
pappso_double	m_mz
pappso_double	m_delta

Detailed Description

Definition at line 45 of file mzrange.h.

Constructor & Destructor Documentation

MzRange() [1/4]

pappso::MzRange::MzRange	(	pappso_double	mz,
		PrecisionPtr	precision )

Constructs MzRange object using 1 precision (the same for lower or upper range).

Definition at line 43 of file mzrange.cpp.

  : m_mz(mz), m_delta(precision->delta(m_mz))
{
}

References m_delta, and m_mz.

Referenced by MzRange(), operator+=(), and operator=().

MzRange() [2/4]

pappso::MzRange::MzRange	(	pappso_double	mz,
		pappso_double	delta )

Construct a MzRange object with mz and delta.

delta should be construed as the whole tolerance such that lower() returns m_mz - m_delta and upper() returns m_mz + m_delta.

Definition at line 56 of file mzrange.cpp.

  : m_mz(mz), m_delta(delta)
{
}

References m_delta, and m_mz.

MzRange() [3/4]

pappso::MzRange::MzRange	(	pappso_double	mz,
		PrecisionPtr	precision_lower,
		PrecisionPtr	precision_upper )

Constructs MzRange object using 2 different precisions: lower and upper.

Definition at line 63 of file mzrange.cpp.

{
 
  m_delta = (precision_lower->delta(mz) + precision_upper->delta(mz)) / 2;
  m_mz    = mz - precision_lower->delta(mz) + m_delta;
}

References pappso::PrecisionBase::delta(), m_delta, and m_mz.

MzRange() [4/4]

pappso::MzRange::MzRange

(

const MzRange &

other

)

Definition at line 73 of file mzrange.cpp.

  : m_mz(other.m_mz), m_delta(other.m_delta)
{
  // std::cout << "MzRange::MzRange (const MzRange & other)" << std::endl;
}

References MzRange(), m_delta, and m_mz.

~MzRange()

pappso::MzRange::~MzRange ( )

virtual

Definition at line 80 of file mzrange.cpp.

{
}

Member Function Documentation

contains()

bool pappso::MzRange::contains

(

pappso_double

mz

)

const

Definition at line 120 of file mzrange.cpp.

{
  // qDebug() << " " << std::abs(mz - m_mz)  << " m_delta:" << m_delta;
  if(std::abs(mz - m_mz) <= m_delta)
    {
      return true;
    }
  return false;
}

References m_delta, and m_mz.

Referenced by pappso::MorpheusScore::MorpheusScore(), pappso::MassSpectrum::equals(), pappso::MsRunXicExtractorDisk::extractOneXicCoord(), pappso::specpeptidoms::SpOMSSpectrum::fillComplementaryPeakIndexes(), pappso::OboListProxyModel::filterAcceptsRow(), pappso::Utils::guessAaModificationPbyMonoisotopicMassDelta(), pappso::specpeptidoms::SemiGlobalAlignment::perfectShiftPossible(), pappso::specpeptidoms::SemiGlobalAlignment::perfectShiftPossibleEnd(), pappso::specpeptidoms::SemiGlobalAlignment::perfectShiftPossibleFrom0(), pappso::MassSpectrumWidget::plot(), pappso::PeptideNaturalIsotopeAverage::recursiveDepletion(), and pappso::specpeptidoms::SemiGlobalAlignment::saveBestAlignment().

getMz()

pappso_double pappso::MzRange::getMz

(

)

const

Definition at line 114 of file mzrange.cpp.

{
  return m_mz;
}

References m_mz.

Referenced by pappso::specglob::ExperimentalSpectrum::reverseFindDiffMz().

lower()

pappso_double pappso::MzRange::lower ( ) const

inline

Definition at line 71 of file mzrange.h.

  {
    return (m_mz - m_delta);
  };

References m_delta, and m_mz.

Referenced by pappso::MorpheusScore::MorpheusScore(), pappso::TimsFrame::XicComputeStructure::XicComputeStructure(), pappso::MsRunXicExtractorDisk::acquireSlices(), pappso::FilterChargeDeconvolution::addDataPointToList(), pappso::FilterRemoveC13::addExclusionMap(), pappso::MsRunXicExtractor::extractOneXicCoord(), pappso::FilterComplementIonEnhancer::filter(), pappso::MassSpectrum::filterSum(), pappso::specglob::ExperimentalSpectrum::findMz(), pappso::QCPSpectrum::highlightPrecursorPeaks(), pappso::PeptideRawFragmentMasses::pushBackMatchSpectrum(), pappso::FilterMzExclusion::removeTraceInExclusionMargin(), pappso::specglob::ExperimentalSpectrum::reverseFindDiffMz(), pappso::CosineSimilarity::similarity(), and toString().

operator*=()

MzRange & pappso::MzRange::operator*=

(

double

number

)

Definition at line 105 of file mzrange.cpp.

{
  m_mz *= number;
  m_delta *= number;
 
  return *this;
}

References m_delta, and m_mz.

operator+=()

MzRange & pappso::MzRange::operator+=

(

const MzRange &

other

)

Definition at line 96 of file mzrange.cpp.

{
  m_mz += other.m_mz;
  m_delta += other.m_delta;
 
  return *this;
}

References MzRange(), m_delta, and m_mz.

operator=()

MzRange & pappso::MzRange::operator=

(

const MzRange &

other

)

Definition at line 86 of file mzrange.cpp.

{
  m_mz    = other.m_mz;
  m_delta = other.m_delta;
 
  return *this;
}

References MzRange(), m_delta, and m_mz.

toString()

QString pappso::MzRange::toString

(

)

const

Definition at line 131 of file mzrange.cpp.

{
  // QString s = "mz=" + QString::number(m_mz) + " delta=" +
  // QString::number(m_delta);
  return QString("mz=%1 delta=%2 : %3 < %4 < %5")
    .arg(m_mz)
    .arg(m_delta)
    .arg(lower())
    .arg(m_mz)
    .arg(upper());
}

References lower(), m_delta, m_mz, and upper().

upper()

pappso_double pappso::MzRange::upper ( ) const

inline

Definition at line 77 of file mzrange.h.

  {
    return (m_mz + m_delta);
  };

References m_delta, and m_mz.

Referenced by pappso::TimsFrame::XicComputeStructure::XicComputeStructure(), pappso::MsRunXicExtractorDisk::acquireSlices(), pappso::FilterChargeDeconvolution::addDataPointToList(), pappso::FilterRemoveC13::addExclusionMap(), pappso::MsRunXicExtractor::extractOneXicCoord(), pappso::FilterComplementIonEnhancer::filter(), pappso::MassSpectrum::filterSum(), pappso::specglob::ExperimentalSpectrum::findMz(), pappso::QCPSpectrum::highlightPrecursorPeaks(), pappso::PeptideRawFragmentMasses::pushBackMatchSpectrum(), pappso::FilterMzExclusion::removeTraceInExclusionMargin(), pappso::specglob::ExperimentalSpectrum::reverseFindDiffMz(), pappso::CosineSimilarity::similarity(), and toString().

Member Data Documentation

m_delta

pappso_double pappso::MzRange::m_delta

private

Definition at line 85 of file mzrange.h.

Referenced by MzRange(), MzRange(), MzRange(), MzRange(), contains(), lower(), operator*=(), operator+=(), operator=(), toString(), and upper().

m_mz

pappso_double pappso::MzRange::m_mz

private

Definition at line 84 of file mzrange.h.

Referenced by MzRange(), MzRange(), MzRange(), MzRange(), contains(), getMz(), lower(), operator*=(), operator+=(), operator=(), toString(), and upper().

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The documentation for this class was generated from the following files:

• pappsomspp/core/mzrange.h
• pappsomspp/core/mzrange.cpp