#include <OpenMS/CHEMISTRY/ModifierRep.h>
Public Member Functions | |
ModifierRep () | |
Constructor. | |
ModifierRep (const ModifierRep &source) | |
copy constructor | |
virtual | ~ModifierRep () |
destructor | |
void | setNumberOfModifications (const unsigned int i) |
setter for number of modifications | |
UInt | getNumberOfModifications () const |
getter for number of modifications | |
const std::vector< std::vector < double > > & | getModificationTable () |
getter for the modification table | |
void | refreshModificationList (std::map< double, int > &mod_map, const char &c) |
updates the modifications list if with the modifications of a new amino acid | |
UInt | getMaxModificationMasses () |
calculates the maximal number unique masses of combinations of modifications (maximal possible size of the modification map) | |
std::vector< String > | getModificationsForMass (double &m) |
gets all modification possibilities for a given mass | |
std::vector< String > | getModificationsForMass (double &m, const String &seq) |
gets all modification possibilities for a given mass and for the given peptide | |
Protected Attributes | |
std::vector< std::vector < double > > | modification_table_ |
all possible modifications | |
int | number_of_modifications_ |
number of maximal modifications | |
std::map< String, std::vector < String > > | mass_mapping_ |
maps a mass to the combination of modifications |
ModifierRep | ( | ) |
Constructor.
ModifierRep | ( | const ModifierRep & | source | ) |
copy constructor
virtual ~ModifierRep | ( | ) | [virtual] |
destructor
void setNumberOfModifications | ( | const unsigned int | i | ) |
setter for number of modifications
i | number of modifications |
UInt getNumberOfModifications | ( | ) | const |
getter for number of modifications
const std::vector<std::vector<double> >& getModificationTable | ( | ) |
getter for the modification table
void refreshModificationList | ( | std::map< double, int > & | mod_map, | |
const char & | c | |||
) |
updates the modifications list if with the modifications of a new amino acid
mod_map | reference to the map holding the possible modifications | |
c | const character for the amino acid |
UInt getMaxModificationMasses | ( | ) |
calculates the maximal number unique masses of combinations of modifications (maximal possible size of the modification map)
std::vector<String> getModificationsForMass | ( | double & | m | ) |
gets all modification possibilities for a given mass
m | masse |
gets all modification possibilities for a given mass and for the given peptide
m | masse | |
seq | peptide sequence |
std::vector<std::vector<double> > modification_table_ [protected] |
all possible modifications
int number_of_modifications_ [protected] |
number of maximal modifications
std::map<String,std::vector<String> > mass_mapping_ [protected] |
maps a mass to the combination of modifications
Generated Tue Apr 1 15:36:43 2008 -- using doxygen 1.5.4 | OpenMS / TOPP 1.1 |