libpappsomspp
Library for mass spectrometry
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#include <filterchargedeconvolution.h>
Classes | |
struct | DataPointInfo |
Public Member Functions | |
FilterChargeDeconvolution (PrecisionPtr precision_ptr) | |
FilterChargeDeconvolution (const QString &strBuildParams) | |
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... | |
virtual QString | name () const override |
QString | toString () const override |
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virtual | ~FilterNameInterface () |
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virtual | ~FilterInterface () |
Protected Member Functions | |
void | buildFilterFromString (const QString &strBuildParams) override |
build this filter using a string 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 each 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_precisionPtrZ1 |
PrecisionPtr | m_precisionPtrZ2 |
Definition at line 42 of file filterchargedeconvolution.h.
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private |
Definition at line 46 of file filterchargedeconvolution.h.
FilterChargeDeconvolution::FilterChargeDeconvolution | ( | PrecisionPtr | precision_ptr | ) |
Default constructor
Definition at line 41 of file filterchargedeconvolution.cpp.
References pappso::DIFFC12C13(), pappso::PrecisionFactory::getPrecisionPtrFractionInstance(), m_diffC12C13_z1, m_diffC12C13_z2, m_precisionPtrZ1, and m_precisionPtrZ2.
pappso::FilterChargeDeconvolution::FilterChargeDeconvolution | ( | const QString & | strBuildParams | ) |
strBuildParams | string to build the filter "chargeDeconvolution|0.02dalton" |
Definition at line 33 of file filterchargedeconvolution.cpp.
FilterChargeDeconvolution::FilterChargeDeconvolution | ( | const FilterChargeDeconvolution & | other | ) |
Copy constructor
other | TODO |
Definition at line 55 of file filterchargedeconvolution.cpp.
References pappso::DIFFC12C13(), m_diffC12C13_z1, and m_diffC12C13_z2.
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virtual |
Destructor
Definition at line 64 of file filterchargedeconvolution.cpp.
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private |
For each datapointInfo add the datapoint to the lists by their exclusion range.
Definition at line 172 of file filterchargedeconvolution.cpp.
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Add each datapoint to a vector of structure describe above.
Definition at line 156 of file filterchargedeconvolution.cpp.
References pappso::MzRange::lower(), pappso::MzRange::upper(), and pappso::DataPoint::x.
Referenced by filter().
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overrideprotectedvirtual |
build this filter using a string
strBuildParams | a string coding the filter and its parameters "filterName|param1;param2;param3" |
Implements pappso::FilterNameInterface.
Definition at line 71 of file filterchargedeconvolution.cpp.
References pappso::DIFFC12C13(), pappso::PrecisionFactory::fromString(), and pappso::PrecisionFactory::getPrecisionPtrFractionInstance().
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Compare both list (z1 and z2) and add the right level of charge.
Definition at line 226 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 273 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 124 of file filterchargedeconvolution.cpp.
References addDataPointToList(), computeBestChargeOfDataPoint(), computeIsotopeDeconvolution(), pappso::Trace::sortX(), pappso::Trace::sortY(), and transformToMonoChargedForAllDataPoint().
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overridevirtual |
Implements pappso::FilterNameInterface.
Definition at line 106 of file filterchargedeconvolution.cpp.
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overridevirtual |
Implements pappso::FilterNameInterface.
Definition at line 113 of file filterchargedeconvolution.cpp.
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private |
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 319 of file filterchargedeconvolution.cpp.
References pappso::MHPLUS().
Referenced by filter().
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Definition at line 148 of file filterchargedeconvolution.h.
Referenced by FilterChargeDeconvolution().
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Definition at line 149 of file filterchargedeconvolution.h.
Referenced by FilterChargeDeconvolution().
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Definition at line 150 of file filterchargedeconvolution.h.
Referenced by FilterChargeDeconvolution().
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Definition at line 151 of file filterchargedeconvolution.h.
Referenced by FilterChargeDeconvolution().