pappso::FilterTandemRemoveC13 Class Reference

clean probable C13 isotopes as in X!Tandem algorithm More...

#include <filtertandemremovec13.h>

Inheritance diagram for pappso::FilterTandemRemoveC13:

Public Member Functions
	FilterTandemRemoveC13 ()
	FilterTandemRemoveC13 (const FilterTandemRemoveC13 &other)
MassSpectrum &	filter (MassSpectrum &data_points) const override

Private Attributes
double	m_arbitrary_range_between_isotopes = 1.5
double	m_arbitrary_minimum_mz = 200.0

Detailed Description

clean probable C13 isotopes as in X!Tandem algorithm

Definition at line 56 of file filtertandemremovec13.h.

Constructor & Destructor Documentation

FilterTandemRemoveC13() [1/2]

FilterTandemRemoveC13::FilterTandemRemoveC13

(

)

Definition at line 36 of file filtertandemremovec13.cpp.

{
}

FilterTandemRemoveC13() [2/2]

FilterTandemRemoveC13::FilterTandemRemoveC13

(

const FilterTandemRemoveC13 &

other

)

Definition at line 41 of file filtertandemremovec13.cpp.

{
}

Member Function Documentation

filter()

MassSpectrum & FilterTandemRemoveC13::filter ( MassSpectrum &  data_points ) const

overridevirtual

Implements pappso::MassSpectrumFilterInterface.

Definition at line 46 of file filtertandemremovec13.cpp.

{
 
  // Reverse-sort the data points (in y decreasing order) so that we get the
  // greatest to the front of the vector and we'll then copy the first n data
  // points to the returned vector. See that return (b < a) ?
 
  MassSpectrum massSpectrum;
  if(data_points.size() > 0)
    {
      auto it     = data_points.begin();
      auto itNext = data_points.begin() + 1;
      auto itEnd  = data_points.end();
 
      pappso_double prevMz = it->x;
 
      while(itNext != itEnd)
        {
          if((itNext->x - prevMz) >= m_arbitrary_range_between_isotopes ||
             itNext->x < m_arbitrary_minimum_mz)
            {
              massSpectrum.push_back(*it);
              it     = itNext;
              prevMz = it->x;
            }
          else if(itNext->y > it->y)
            {
              it = itNext;
            }
 
          itNext++;
        }
      massSpectrum.push_back(*it);
    }
 
  data_points = std::move(massSpectrum);
  return data_points;
}

References m_arbitrary_minimum_mz, and m_arbitrary_range_between_isotopes.

Member Data Documentation

m_arbitrary_minimum_mz

double pappso::FilterTandemRemoveC13::m_arbitrary_minimum_mz = 200.0

private

Definition at line 77 of file filtertandemremovec13.h.

Referenced by filter().

m_arbitrary_range_between_isotopes

double pappso::FilterTandemRemoveC13::m_arbitrary_range_between_isotopes = 1.5

private

Definition at line 76 of file filtertandemremovec13.h.

Referenced by filter().

---

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

• pappsomspp/processing/filters/filtertandemremovec13.h
• pappsomspp/processing/filters/filtertandemremovec13.cpp