libpappsomspp
Library for mass spectrometry
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#include <filterchargedeconvolution.h>
Classes | |
struct | DataPointInfo |
Public Member Functions | |
FilterChargeDeconvolution (PrecisionPtr precision_ptr) | |
FilterChargeDeconvolution (const FilterChargeDeconvolution &other) | |
virtual | ~FilterChargeDeconvolution () |
Trace & | filter (Trace &data_points) const override |
get all the datapoints and remove different isotope and add their intensity and change to charge = 1 when the charge is known More... | |
Private Types | |
typedef std::shared_ptr< DataPointInfo > | DataPointInfoSp |
Private Member Functions | |
void | addDataPointToList (std::vector< FilterChargeDeconvolution::DataPointInfoSp > &points, DataPoint &data_point) const |
Add each datapoint to a vector of structure describe above. More... | |
void | addDataPointRefByExclusion (std::vector< FilterChargeDeconvolution::DataPointInfoSp > &points, FilterChargeDeconvolution::DataPointInfoSp &new_dpi) const |
For eache datapointInfo add the datapoint to the lists by their exclusion range. More... | |
void | computeBestChargeOfDataPoint (std::vector< FilterChargeDeconvolution::DataPointInfoSp > &data_points_info) const |
Compare both list (z1 and z2) and add the right level of charge. More... | |
void | computeIsotopeDeconvolution (std::vector< FilterChargeDeconvolution::DataPointInfoSp > &data_points_info) const |
For eache datapointInfo whith no parent copy info in new vector with the intensity of the monoistipics peaks added. More... | |
void | transformToMonoChargedForAllDataPoint (std::vector< FilterChargeDeconvolution::DataPointInfoSp > &data_points_info) const |
For eache datapointInfo with a charge = 2 transform the peak to a charge = 1 by multiplying the mz by 2 and remove 1 H. More... | |
Private Attributes | |
double | m_diffC12C13_z1 |
double | m_diffC12C13_z2 |
PrecisionPtr | m_precisionPtr |
Definition at line 60 of file filterchargedeconvolution.h.
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private |
Definition at line 82 of file filterchargedeconvolution.h.
FilterChargeDeconvolution::FilterChargeDeconvolution | ( | PrecisionPtr | precision_ptr | ) |
Default constructor
Definition at line 32 of file filterchargedeconvolution.cpp.
References pappso::DIFFC12C13(), m_diffC12C13_z1, and m_diffC12C13_z2.
FilterChargeDeconvolution::FilterChargeDeconvolution | ( | const FilterChargeDeconvolution & | other | ) |
Copy constructor
other | TODO |
Definition at line 39 of file filterchargedeconvolution.cpp.
References pappso::DIFFC12C13(), m_diffC12C13_z1, and m_diffC12C13_z2.
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For eache datapointInfo add the datapoint to the lists by their exclusion range.
Definition at line 98 of file filterchargedeconvolution.cpp.
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Add each datapoint to a vector of structure describe above.
Definition at line 82 of file filterchargedeconvolution.cpp.
References pappso::MzRange::lower(), pappso::MzRange::upper(), and pappso::DataPoint::x.
Referenced by filter().
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Compare both list (z1 and z2) and add the right level of charge.
Definition at line 152 of file filterchargedeconvolution.cpp.
Referenced by filter().
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For eache datapointInfo whith no parent copy info in new vector with the intensity of the monoistipics peaks added.
Definition at line 196 of file filterchargedeconvolution.cpp.
Referenced by filter().
get all the datapoints and remove different isotope and add their intensity and change to charge = 1 when the charge is known
Implements pappso::FilterInterface.
Definition at line 52 of file filterchargedeconvolution.cpp.
References addDataPointToList(), computeBestChargeOfDataPoint(), computeIsotopeDeconvolution(), pappso::Trace::sortX(), pappso::Trace::sortY(), and transformToMonoChargedForAllDataPoint().
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For eache datapointInfo with a charge = 2 transform the peak to a charge = 1 by multiplying the mz by 2 and remove 1 H.
Definition at line 239 of file filterchargedeconvolution.cpp.
References pappso::MHPLUS().
Referenced by filter().
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Definition at line 170 of file filterchargedeconvolution.h.
Referenced by FilterChargeDeconvolution().
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Definition at line 171 of file filterchargedeconvolution.h.
Referenced by FilterChargeDeconvolution().
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Definition at line 172 of file filterchargedeconvolution.h.