29 #include "../../trace/trace.h"
32 #include "../../massspectrum/massspectrum.h"
33 #include "../../exception/exceptionoutofrange.h"
42 : m_passY(other.m_passY)
58 Trace new_data_points;
59 for(
auto &&data_point : data_points)
63 new_data_points.push_back(data_point);
66 data_points = std::move(new_data_points);
74 : m_passY(other.m_passY)
90 Trace new_data_points;
91 for(
auto &&data_point : data_points)
95 new_data_points.push_back(data_point);
98 data_points = std::move(new_data_points);
104 : m_ratioPassY(ratio_pass_y)
110 : m_ratioPassY(other.m_ratioPassY)
126 auto it_max =
maxYDataPoint(data_points.begin(), data_points.end());
127 if(it_max == data_points.end())
130 Trace new_data_points;
131 for(
auto &&data_point : data_points)
133 if(data_point.y > pass)
135 new_data_points.push_back(data_point);
138 data_points = std::move(new_data_points);
144 : m_numberOfPoints(number_of_points)
150 : m_numberOfPoints(other.m_numberOfPoints)
174 std::sort(data_points.begin(),
178 data_points.erase(data_points.begin() +
m_numberOfPoints, data_points.end());
181 std::sort(data_points.begin(),
197 double window_range, std::size_t number_of_points_per_window)
198 : m_xWindowRange(window_range), m_numberOfPoints(number_of_points_per_window)
205 QObject::tr(
"window_range must be greater than 0.5"));
214 : m_xWindowRange(other.m_xWindowRange),
215 m_numberOfPoints(other.m_numberOfPoints)
235 std::vector<DataPoint> new_trace(data_points);
238 int window_number = 0;
239 int old_window_number = -1;
240 std::size_t number_of_peaks_in_window = 0;
241 auto itbegin = data_points.begin();
242 std::vector<DataPoint>::iterator it_min;
254 qDebug() <<
" data_point.x=" << data_point.x
255 <<
" data_point.y=" << data_point.y;
257 qDebug() << window_number;
258 if(window_number != old_window_number)
260 old_window_number = window_number;
261 number_of_peaks_in_window = 0;
262 itbegin = data_points.end();
267 data_points.push_back(data_point);
268 number_of_peaks_in_window++;
269 if(number_of_peaks_in_window == 1)
271 itbegin = data_points.begin() + (data_points.size() - 1);
279 if(it_min != data_points.end())
282 if(it_min->y < data_point.y)
285 *it_min = data_point;
328 for(
auto &&dataPoint : data_points)
330 dataPoint.y = std::floor(dataPoint.y);
352 for(
auto &&dataPoint : data_points)
354 dataPoint.y = std::round(dataPoint.y);
364 : m_dynamic(other.m_dynamic)
372 auto it_max =
maxYDataPoint(data_points.begin(), data_points.end());
373 if(it_max == data_points.end())
375 double maximum = it_max->y;
376 for(
auto &&dataPoint : data_points)
378 dataPoint.y = (dataPoint.y / maximum) *
m_dynamic;
400 std::size_t number_of_points)
401 : m_filterGreatestY(number_of_points)
407 : m_filterGreatestY(other.m_filterGreatestY)
433 : m_factor(other.m_factor)
451 for(
auto &&dataPoint : data_points)
453 dataPoint.y = dataPoint.y *
m_factor;
apply std::floor (round to lowest integer) to all Y values
FilterFloorY & operator=(const FilterFloorY &other)
Trace & filter(Trace &data_points) const override
keep N datapoints form the greatest intensities to the lowest
Trace & filter(Trace &data_points) const override
FilterGreatestY(std::size_t number_of_points=0)
constructor with the number of datapoints to keep
FilterGreatestY & operator=(const FilterGreatestY &other)
std::size_t getNumberOfPoints() const
std::size_t m_numberOfPoints
keep N datapoints form the greatest intensities to the lowest within a mass range in dalton
Trace & filter(Trace &data_points) const override
std::size_t m_numberOfPoints
FilterGreatestYperWindow(double window_range, std::size_t number_of_points_per_window)
constructor with the number of datapoints to keep
FilterGreatestYperWindow & operator=(const FilterGreatestYperWindow &other)
std::size_t getNumberOfPoints() const
remove datapoints below a given intensity percentage (ratio) of the maximum intensity
FilterHighPassPercentage(double y_ratio)
Trace & filter(Trace &data_points) const override
FilterHighPassPercentage & operator=(const FilterHighPassPercentage &other)
remove datapoints below a given Y value (intensity)
Trace & filter(Trace &data_points) const override
FilterHighPass & operator=(const FilterHighPass &other)
FilterHighPass(double pass_y)
remove datapoints higher than a given Y value (intensity)
FilterLowPass(double pass_y)
Trace & filter(Trace &data_points) const override
FilterLowPass & operator=(const FilterLowPass &other)
rescales Y values into a dynamic range if the dynamic range is set to 0, this filter is ignored
Trace & filter(Trace &data_points) const override
FilterRescaleY(double dynamic)
double getDynamicRange() const
FilterRescaleY & operator=(const FilterRescaleY &other)
apply std::round (round to nearest integer) to all Y values
Trace & filter(Trace &data_points) const override
FilterRoundY & operator=(const FilterRoundY &other)
rescales Y values given a tranformation factor
FilterScaleFactorY & operator=(const FilterScaleFactorY &other)
FilterScaleFactorY(double m_factor)
Trace & filter(Trace &data_points) const override
double getScaleFactorY() const
MassSpectrumFilterGreatestItensities(std::size_t number_of_points=0)
FilterGreatestY m_filterGreatestY
MassSpectrum & filter(MassSpectrum &spectrum) const override
MassSpectrumFilterGreatestItensities & operator=(const MassSpectrumFilterGreatestItensities &other)
Class to represent a mass spectrum.
A simple container of DataPoint instances.
tries to keep as much as possible monoisotopes, removing any possible C13 peaks and changes multichar...
std::vector< DataPoint >::const_iterator maxYDataPoint(std::vector< DataPoint >::const_iterator begin, std::vector< DataPoint >::const_iterator end)
std::vector< DataPoint >::const_iterator minYDataPoint(std::vector< DataPoint >::const_iterator begin, std::vector< DataPoint >::const_iterator end)