32#include <boost/numeric/ublas/matrix.hpp>
59 double precursor_mass);
convert a list of mass to amino acid string codes
A simple container of DataPoint instances.
const SelfSpectrumMatrix & getMatrix() const
void setVariableModification(const pappso::AaStringCodeMassMatching &codec_mass_matching, const Aa &aa, int quantifier)
SelfSpectrumMatrix m_matrix
SelfSpectrum(const pappso::AaStringCodeMassMatching &codec_mass_matching, const Trace &trace)
void setPrecursorMass(const pappso::AaStringCodeMassMatching &codec_mass_matching, double precursor_mass)
const Trace & getTrace() const
boost::numeric::ublas::matrix< SelfSpectrumDataPoint > SelfSpectrumMatrix
tries to keep as much as possible monoisotopes, removing any possible C13 peaks and changes multichar...
spectrum self data points stored in the self spectrum matrix