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 Tracefilter (Trace &data_points) const =0
 
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.

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:987
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{
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: