try to detect complementary ions and assign maximum intensity of both elements More...

#include <filtercomplement.h>

Inheritance diagram for FilterComplement:

Public Member Functions
	FilterComplement (double target_mz, pappso::PrecisionPtr precision_ptr)
	FilterComplement (const FilterComplement &other)
virtual	~FilterComplement ()
pappso::Trace &	filter (pappso::Trace &data_points) const override
Public Member Functions inherited from pappso::FilterInterface
virtual	~FilterInterface ()

Private Attributes
double	m_targetMzSum
pappso::PrecisionPtr	m_precisionPtr

Detailed Description

try to detect complementary ions and assign maximum intensity of both elements

experimental filter

Definition at line 42 of file filtercomplement.h.

Constructor & Destructor Documentation

◆ FilterComplement() [1/2]

FilterComplement::FilterComplement	(	double	target_mz,
		pappso::PrecisionPtr	precision_ptr )

Parameters

target_mz	the targeted mass of the peak pair
precision_ptr	matching precision

Definition at line 33 of file filtercomplement.cpp.

  : m_targetMzSum(target_mz), m_precisionPtr(precision_ptr)
{
}

References m_precisionPtr, and m_targetMzSum.

Referenced by FilterComplement().

◆ FilterComplement() [2/2]

FilterComplement::FilterComplement ( const FilterComplement & other )

Copy constructor

Parameters

other TODO

Definition at line 45 of file filtercomplement.cpp.

  : m_targetMzSum(other.m_targetMzSum), m_precisionPtr(other.m_precisionPtr)
{
}

References FilterComplement(), m_precisionPtr, and m_targetMzSum.

◆ ~FilterComplement()

FilterComplement::~FilterComplement ( )

virtual

Destructor

Definition at line 50 of file filtercomplement.cpp.

51{

52}

Member Function Documentation

◆ filter()

pappso::Trace & FilterComplement::filter ( pappso::Trace & data_points ) const

overridevirtual

Implements pappso::FilterInterface.

Definition at line 55 of file filtercomplement.cpp.

{
  pappso::Trace new_trace;
  pappso::MzRange target_sum(m_targetMzSum, m_precisionPtr);
 
 
  auto it         = data_points.begin();
  auto it_reverse = data_points.rbegin();
  while(it->x < it_reverse->x)
    {
 
      if((it->x + it_reverse->x) < target_sum.lower())
        {
          it++;
        }
      else if((it->x + it_reverse->x) > target_sum.upper())
        {
          it_reverse++;
        }
      else
        {
          new_trace.push_back(*it);
          qDebug() << "itx=" << it->x;
          do
            {
              new_trace.push_back(*it_reverse);
              qDebug() << "itrevx=" << it_reverse->x;
              it_reverse++;
            }
          while(target_sum.contains(it->x + it_reverse->x));
        }
    }
 
  data_points = std::move(new_trace);
  data_points.sortX();
  return data_points;
}

References pappso::MzRange::contains(), pappso::MzRange::lower(), m_precisionPtr, m_targetMzSum, pappso::Trace::sortX(), and pappso::MzRange::upper().

Referenced by pappso::cbor::mzcbor::MzcborPrecursorFinder::findPotentialPrecursorIonData().

Member Data Documentation

◆ m_precisionPtr

pappso::PrecisionPtr FilterComplement::m_precisionPtr

private

Definition at line 69 of file filtercomplement.h.

Referenced by FilterComplement(), FilterComplement(), and filter().

◆ m_targetMzSum

double FilterComplement::m_targetMzSum