#include <OpenMS/FORMAT/PepNovoInfile.h>
Creates a pepnovo.params file for PepNovo search from a peak list.
Public Member Functions | |
PepNovoInfile () | |
default constructor | |
PepNovoInfile (const PepNovoInfile &pepnovo_infile) | |
copy constructor | |
virtual | ~PepNovoInfile () |
destructor | |
PepNovoInfile & | operator= (const PepNovoInfile &pepnovo_infile) |
assignment operator | |
bool | operator== (const PepNovoInfile &pepnovo_infile) const |
equality operator | |
String | store (const String &filename) throw (Exception::UnableToCreateFile) |
stores the experiment data in a PepNovo input file that can be used as input for PepNovo shell execution | |
void | handlePTMs (const String &modification_line, const String &modifications_filename, const bool monoisotopic) throw (Exception::FileNotReadable, Exception::FileNotFound, Exception::ParseError) |
retrieves the name, mass change, affected residues, type and position for all modifications from a string | |
const std::map< String, std::vector< String > > & | getModifications () const |
return the modifications (the modification names map to the affected residues, the mass change and the type) | |
Private Attributes | |
std::map< String, std::vector < String > > | PTMname_residues_mass_type_ |
the modification names map to the affected residues, the mass change and the type |
PepNovoInfile | ( | ) |
default constructor
PepNovoInfile | ( | const PepNovoInfile & | pepnovo_infile | ) |
copy constructor
virtual ~PepNovoInfile | ( | ) | [virtual] |
destructor
PepNovoInfile& operator= | ( | const PepNovoInfile & | pepnovo_infile | ) |
assignment operator
bool operator== | ( | const PepNovoInfile & | pepnovo_infile | ) | const |
equality operator
String store | ( | const String & | filename | ) | throw (Exception::UnableToCreateFile) |
stores the experiment data in a PepNovo input file that can be used as input for PepNovo shell execution
void handlePTMs | ( | const String & | modification_line, | |
const String & | modifications_filename, | |||
const bool | monoisotopic | |||
) | throw (Exception::FileNotReadable, Exception::FileNotFound, Exception::ParseError) |
retrieves the name, mass change, affected residues, type and position for all modifications from a string
return the modifications (the modification names map to the affected residues, the mass change and the type)
std::map< String, std::vector< String > > PTMname_residues_mass_type_ [private] |
the modification names map to the affected residues, the mass change and the type
Generated Tue Apr 1 15:36:44 2008 -- using doxygen 1.5.4 | OpenMS / TOPP 1.1 |