30 #include <boost/shared_ptr.hpp> 36 class ModificationMap;
45 ModificationParsing_Auto
53 ModificationDelimiter_Braces
56 #define MODIFICATION_PARSING_ARGUMENTS \ 57 ModificationParsing mp = ModificationParsing_Off, \ 58 ModificationDelimiter md = ModificationDelimiter_Parentheses 74 const std::string& sequence()
const;
85 double monoisotopicMass(
int charge = 0,
bool modified =
true)
const;
91 double molecularWeight(
int charge = 0,
bool modified =
true)
const;
102 Fragmentation fragmentation(
bool monoisotopic =
true,
bool modified =
true)
const;
109 bool operator<(
const Peptide& rhs)
const;
115 boost::shared_ptr<Impl>
impl_;
134 double a(
size_t length,
size_t charge = 0)
const;
140 double b(
size_t length,
size_t charge = 0)
const;
146 double c(
size_t length,
size_t charge = 0)
const;
152 double x(
size_t length,
size_t charge = 0)
const;
158 double y(
size_t length,
size_t charge = 0)
const;
164 double z(
size_t length,
size_t charge = 0)
const;
170 double zRadical(
size_t length,
size_t charge = 0)
const;
174 boost::shared_ptr<Impl>
impl_;
186 #endif // _PEPTIDE_HPP_
ModificationDelimiter_Brackets
'(' and ')'
maps peptide/protein sequence indexes (0-based) to a modification list
PWIZ_API_DECL proteome::Peptide peptide(const Peptide &peptide)
creates a proteome::Peptide from an identdata::Peptide
ModificationParsing_ByFormula
any non-AA characters will cause an exception
boost::shared_ptr< Impl > impl_
represents a peptide or polypeptide (a sequence of amino acids)
PWIZ_API_DECL const std::vector< Modification > & modifications()
the entire list of Unimod modifications
provides fragment ion masses for a peptide
ModificationDelimiter_Parentheses
#define MODIFICATION_PARSING_ARGUMENTS
PWIZ_API_DECL bool operator==(const TruncatedLorentzianParameters &t, const TruncatedLorentzianParameters &u)
KernelTraitsBase< Kernel >::space_type::abscissa_type x
KernelTraitsBase< Kernel >::space_type::ordinate_type y
ModificationParsing_ByMass
oxidized P in peptide: PEP(O)TIDE
boost::shared_ptr< Impl > impl_