OpenMS  2.5.0
NonNegativeLeastSquaresSolver.h
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34 
35 #pragma once
36 
38 
39 namespace OpenMS
40 {
46  class OPENMS_DLLAPI NonNegativeLeastSquaresSolver
47  {
48 public:
49 
51  {
53  ITERATION_EXCEEDED
54  };
55 
66  static Int solve(const Matrix<double> & A, const Matrix<double> & b, Matrix<double> & x);
67  };
68 
69 } // namespace OpenMS
70 
OpenMS::MSDataWritingConsumer
Consumer class that writes MS data to disk using the mzML format.
Definition: MSDataWritingConsumer.h:88
LogStream.h
OpenMS::SavitzkyGolayFilter::filterExperiment
void filterExperiment(PeakMap &map)
Removed the noise from an MSExperiment containing profile data.
Definition: SavitzkyGolayFilter.h:214
OpenMS::NonNegativeLeastSquaresSolver::RETURN_STATUS
RETURN_STATUS
Definition: NonNegativeLeastSquaresSolver.h:50
OpenMS::SpectrumSettings::CENTROID
centroid data or stick data
Definition: SpectrumSettings.h:73
OpenMS::TOPPBase
Base class for TOPP applications.
Definition: TOPPBase.h:144
OpenMS::Param::copy
Param copy(const String &prefix, bool remove_prefix=false) const
Returns a new Param object containing all entries that start with prefix.
OpenMS::Exception::IllegalArgument
A method or algorithm argument contains illegal values.
Definition: Exception.h:648
OpenMS::MzMLFile::store
void store(const String &filename, const PeakMap &map) const
Stores a map in an MzML file.
OpenMS::MSChromatogram::isSorted
bool isSorted() const
Checks if all peaks are sorted with respect to ascending RT.
OpenMS::GaussFilter::filterExperiment
void filterExperiment(PeakMap &map)
Smoothes an MSExperiment containing profile data.
Definition: GaussFilter.h:193
OpenMS::MzMLFile
File adapter for MzML files.
Definition: MzMLFile.h:55
OpenMS::String
A more convenient string class.
Definition: String.h:58
MzMLFile.h
OpenMS::GaussFilter::filter
void filter(MSSpectrum &spectrum)
Smoothes an MSSpectrum containing profile data.
Definition: GaussFilter.h:92
OpenMS::MSExperiment
In-Memory representation of a mass spectrometry experiment.
Definition: MSExperiment.h:77
OpenMS::Size
size_t Size
Size type e.g. used as variable which can hold result of size()
Definition: Types.h:127
OpenMS::Constants::c
const double c
Matrix.h
OpenMS::NonNegativeLeastSquaresSolver
Wrapper for a non-negative least squares (NNLS) solver.
Definition: NonNegativeLeastSquaresSolver.h:46
OPENMS_LOG_WARN
#define OPENMS_LOG_WARN
Macro if a warning, a piece of information which should be read by the user, should be logged.
Definition: LogStream.h:460
GaussFilter.h
OpenMS::MSExperiment::size
Size size() const
Definition: MSExperiment.h:127
OpenMS
Main OpenMS namespace.
Definition: FeatureDeconvolution.h:46
SavitzkyGolayFilter.h
OpenMS::Matrix< double >
OpenMS::MSExperiment::getChromatograms
const std::vector< MSChromatogram > & getChromatograms() const
returns the chromatogram list
OpenMS::MzMLFile::load
void load(const String &filename, PeakMap &map)
Loads a map from a MzML file. Spectra and chromatograms are sorted by default (this can be disabled u...
int
OpenMS::DefaultParamHandler::setParameters
void setParameters(const Param &param)
Sets the parameters.
OpenMS::DefaultParamHandler::getDefaults
const Param & getDefaults() const
Non-mutable access to the default parameters.
OpenMS::MSExperiment::empty
bool empty() const
Definition: MSExperiment.h:137
main
int main(int argc, const char **argv)
Definition: INIFileEditor.cpp:73
OpenMS::DataProcessing::SMOOTHING
Smoothing of the signal to reduce noise.
Definition: DataProcessing.h:63
MSExperiment.h
OpenMS::SavitzkyGolayFilter::filter
void filter(InputIt first, InputIt last, OutputIt d_first)
Definition: SavitzkyGolayFilter.h:115
OpenMS::MSExperiment::getChromatogram
MSChromatogram & getChromatogram(Size id)
returns a single chromatogram
OpenMS::MzMLFile::transform
void transform(const String &filename_in, Interfaces::IMSDataConsumer *consumer, bool skip_full_count=false, bool skip_first_pass=false)
Transforms a map while loading using the supplied MSDataConsumer.
OpenMS::MSChromatogram
The representation of a chromatogram.
Definition: MSChromatogram.h:54
OpenMS::Exception::BaseException::getMessage
const char * getMessage() const noexcept
Returns the message.
OpenMS::Param
Management and storage of parameters / INI files.
Definition: Param.h:73
OpenMS::SavitzkyGolayFilter
Computes the Savitzky-Golay filter coefficients using QR decomposition.
Definition: SavitzkyGolayFilter.h:101
MSDataWritingConsumer.h
OpenMS::MSSpectrum
The representation of a 1D spectrum.
Definition: MSSpectrum.h:67
OpenMS::NonNegativeLeastSquaresSolver::SOLVED
Definition: NonNegativeLeastSquaresSolver.h:52
OpenMS::ProgressLogger::setLogType
void setLogType(LogType type) const
Sets the progress log that should be used. The default type is NONE!
OpenMS::GaussFilter
This class represents a Gaussian lowpass-filter which works on uniform as well as on non-uniform prof...
Definition: GaussFilter.h:74
TOPPBase.h
StringListUtils.h