63 double precursor_mass,
97 std::vector<uint32_t> new_code_list =
100 std::copy(new_code_list.begin(),
106 std::vector<uint32_t> new_code_list =
109 std::copy(new_code_list.begin(),
convert a list of mass to amino acid string codes
std::vector< uint32_t > getAaCodeFromMass(double mass) const
get amino acid string code from a single mass delta
PrecisionPtr getPrecisionPtr() const
std::vector< uint32_t > getAaCodeFromMassWearingModification(double mass, const Aa &aa, int quantifier) const
get amino acid string code from a single mass delta wearing a specific modification
virtual pappso_double getNominal() const final
tries to keep as much as possible monoisotopes, removing any possible C13 peaks and changes multichar...
const pappso_double MHPLUS(1.007276466879)
spectrum self data points stored in the self spectrum matrix
std::vector< uint32_t > aaCodeList
void setVariableModification(const pappso::AaStringCodeMassMatching &codec_mass_matching, const Aa &aa, int quantifier)
void fillAntiSpectrumDataPoint(double precursor_mass, const pappso::AaStringCodeMassMatching &codec_mass_matching, const DataPoint &peak1, const DataPoint &peak2)
std::vector< uint32_t > antiAaCodeList
void fillSelfSpectrumDataPoint(const pappso::AaStringCodeMassMatching &codec_mass_matching, const DataPoint &peak1, const DataPoint &peak2)