libpappsomspp
Library for mass spectrometry
pappso::FilterTriangle Class Reference

#include <filtertriangle.h>

Inheritance diagram for pappso::FilterTriangle:
pappso::FilterInterface

Public Member Functions

 FilterTriangle ()
 
 FilterTriangle (const FilterTriangle &other)
 
 ~FilterTriangle ()
 
double setTriangleSlope (double intensity, double mz)
 
Tracefilter (Trace &data_points) const override
 
- Public Member Functions inherited from pappso::FilterInterface
virtual ~FilterInterface ()
 

Private Member Functions

DataPoint sumAndRemove (Trace &trace, const DataPoint &max_intensity) const
 

Private Attributes

double m_triangleSlope
 
double m_maxMzRange = 0
 

Detailed Description

Todo:
sum peaks under a triangle base

Definition at line 39 of file filtertriangle.h.

Constructor & Destructor Documentation

◆ FilterTriangle() [1/2]

FilterTriangle::FilterTriangle ( )

Default constructor

Definition at line 33 of file filtertriangle.cpp.

34 {
35 }

◆ FilterTriangle() [2/2]

FilterTriangle::FilterTriangle ( const FilterTriangle other)

Copy constructor

Parameters
otherTODO

Definition at line 37 of file filtertriangle.cpp.

38 {
40 }

References m_triangleSlope.

◆ ~FilterTriangle()

FilterTriangle::~FilterTriangle ( )

Destructor

Definition at line 42 of file filtertriangle.cpp.

43 {
44 }

Member Function Documentation

◆ filter()

Trace & FilterTriangle::filter ( Trace data_points) const
overridevirtual

Implements pappso::FilterInterface.

Definition at line 94 of file filtertriangle.cpp.

95 {
96  // qDebug() << data_points.size();
97  Trace new_trace;
98 
99  std::vector<DataPoint>::iterator it_max =
100  maxYDataPoint(data_points.begin(), data_points.end());
101  // qDebug();
102  while((it_max != data_points.end()) && (it_max->y > 0))
103  {
104  // qDebug();
105  new_trace.push_back(sumAndRemove(data_points, *it_max));
106  // qDebug();
107  it_max = maxYDataPoint(data_points.begin(), data_points.end());
108  }
109 
110  new_trace.sortX();
111  // qDebug() << new_trace.size();
112  data_points = std::move(new_trace);
113  // qDebug() << data_points.size();
114  return data_points;
115 }
DataPoint sumAndRemove(Trace &trace, const DataPoint &max_intensity) const
A simple container of DataPoint instances.
Definition: trace.h:148
void sortX()
Definition: trace.cpp:956
std::vector< DataPoint >::const_iterator maxYDataPoint(std::vector< DataPoint >::const_iterator begin, std::vector< DataPoint >::const_iterator end)
Definition: trace.cpp:180

References pappso::maxYDataPoint(), pappso::Trace::sortX(), and sumAndRemove().

◆ setTriangleSlope()

double FilterTriangle::setTriangleSlope ( double  intensity,
double  mz 
)

Definition at line 47 of file filtertriangle.cpp.

48 {
49  m_maxMzRange = mz;
50  m_triangleSlope = mz / intensity;
51  return m_triangleSlope;
52 }

References m_maxMzRange, m_triangleSlope, and pappso::mz.

◆ sumAndRemove()

DataPoint FilterTriangle::sumAndRemove ( Trace trace,
const DataPoint max_intensity 
) const
private

Definition at line 55 of file filtertriangle.cpp.

56 {
57 
58  // qDebug();
59  // double sum = max_intensity.y;
60  // double wmean = max_intensity.y * max_intensity.x;
61  double mz_range = max_intensity.y * m_triangleSlope;
62  if(mz_range > m_maxMzRange)
63  {
64  mz_range = m_maxMzRange;
65  }
66  double min_range = max_intensity.x - mz_range;
67  double max_range = max_intensity.x + mz_range;
68 
69  DataPoint new_point;
70  new_point.y = 0;
71  new_point.x = 0;
72  // Trace new_trace;
73 
74  for(DataPoint &old_point : trace)
75  {
76  if((old_point.x < min_range) || (old_point.x > max_range))
77  {
78  // new_trace.push_back(old_point);
79  }
80  else
81  {
82  new_point.y += old_point.y;
83  new_point.x += old_point.y * old_point.x;
84  old_point.y = 0;
85  }
86  }
87 
88  // trace = std::move(new_trace);
89  new_point.x = new_point.x / new_point.y; // weighted mean on mz
90  return new_point;
91 }
pappso_double x
Definition: datapoint.h:23
pappso_double y
Definition: datapoint.h:24

References m_maxMzRange, m_triangleSlope, pappso::DataPoint::x, and pappso::DataPoint::y.

Referenced by filter().

Member Data Documentation

◆ m_maxMzRange

double pappso::FilterTriangle::m_maxMzRange = 0
private

Definition at line 68 of file filtertriangle.h.

Referenced by setTriangleSlope(), and sumAndRemove().

◆ m_triangleSlope

double pappso::FilterTriangle::m_triangleSlope
private

Definition at line 67 of file filtertriangle.h.

Referenced by FilterTriangle(), setTriangleSlope(), and sumAndRemove().


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