File adapter for MSP files (NIST spectra library). More...
#include <OpenMS/FORMAT/MSPFile.h>
Inheritance diagram for MSPFile:
Public Member Functions | |
| MSPFile & | operator= (const MSPFile &rhs) |
| assignment operator | |
| void | load (const String &filename, std::vector< PeptideIdentification > &ids, RichPeakMap &exp) |
| Loads a map from a MSPFile file. | |
| void | store (const String &filename, const RichPeakMap &exp) const |
| Stores a map in a MSPFile file. | |
| MSPFile () | |
| Default constructor. | |
| MSPFile (const MSPFile &rhs) | |
| Copy constructor. | |
| virtual | ~MSPFile () |
| Destructor. | |
Protected Member Functions | |
| void | parseHeader_ (const String &header, RichPeakSpectrum &spec) |
| reads the header information and stores it as metainfo in the spectrum | |
Detailed Description
File adapter for MSP files (NIST spectra library).
Parameters of this class are:| Name | Type | Default | Restrictions | Description |
|---|---|---|---|---|
| parse_headers | string | false | true, false | Flag whether header information should be parsed an stored for each spectrum |
| parse_peakinfo | string | true | true, false | Flag whether the peak annotation information should be parsed and stored for each peak |
| instrument | string | , it, qtof, toftof | If instrument given, only spectra of these type of instrument (Inst= in header) are parsed |
Note:
- If a section name is documented, the documentation is displayed as tooltip.
- Advanced parameter names are italic.
Constructor & Destructor Documentation
| MSPFile | ( | ) |
Default constructor.
Constructors and destructors
| virtual ~MSPFile | ( | ) | [virtual] |
Destructor.
Member Function Documentation
| void load | ( | const String & | filename, | |
| std::vector< PeptideIdentification > & | ids, | |||
| RichPeakMap & | exp | |||
| ) |
Loads a map from a MSPFile file.
- Parameters:
-
exp RichPeakMap which contains the spectra after reading filename the filename of the experiment ids output parameter which contains the peptide identifications from the spectra anntations
- Exceptions:
-
FileNotFound is thrown if the file could not be found ParseError is thrown if the given file could not be parsed ElementNotFound is thrown if a annotated modification cannot be found in ModificationsDB (PSI-MOD definitions)
| void parseHeader_ | ( | const String & | header, | |
| RichPeakSpectrum & | spec | |||
| ) | [protected] |
reads the header information and stores it as metainfo in the spectrum
| void store | ( | const String & | filename, | |
| const RichPeakMap & | exp | |||
| ) | const |
Stores a map in a MSPFile file.
- Exceptions:
-
UnableToCreateFile is thrown if the given file could not be created
| OpenMS / TOPP release 1.10.0 | Documentation generated on Thu Mar 7 2013 09:42:54 using doxygen 1.7.1 |