23 class ModificationsDB;
61 void load(
const std::string& filename,
64 bool load_proteins =
true,
65 bool load_empty_hits =
true);
122 std::map<UInt, std::vector<const ResidueModification*> >
mods_map_;
char16_t XMLCh
Definition ClassTest.h:30
Base class for loading and storing XML files via Xerces, with optional schema validation and transpar...
Definition XMLFile.h:38
Base class for XML handlers.
Definition XMLHandler.h:316
Definition ModificationDefinitionsSet.h:34
Used to load OMSSAXML files.
Definition OMSSAXMLFile.h:36
std::vector< PeptideEvidence > actual_peptide_evidences_
Definition OMSSAXMLFile.h:98
PeptideEvidence actual_peptide_evidence_
Definition OMSSAXMLFile.h:96
void readMappingFile_()
reads the mapping file needed for modifications
ProteinIdentification actual_protein_id_
Definition OMSSAXMLFile.h:102
PeptideIdentification actual_peptide_id_
Definition OMSSAXMLFile.h:100
std::map< UInt, std::vector< const ResidueModification * > > mods_map_
modifications mapping file from OMSSA mod num to UniMod accession
Definition OMSSAXMLFile.h:122
PeptideHit actual_peptide_hit_
Definition OMSSAXMLFile.h:94
ModificationDefinitionsSet mod_def_set_
modification definitions set of the search, needed to annotate fixed modifications
Definition OMSSAXMLFile.h:128
OMSSAXMLFile()
Default constructor.
OMSSAXMLFile(const OMSSAXMLFile &rhs)
std::vector< std::pair< UInt, std::string > > modifications_
modifications of the peptide defined by site and type
Definition OMSSAXMLFile.h:113
std::string tag_
Definition OMSSAXMLFile.h:104
ProteinHit actual_protein_hit_
Definition OMSSAXMLFile.h:92
bool load_empty_hits_
should empty peptide identifications be loaded or skipped?
Definition OMSSAXMLFile.h:119
void startElement(const XMLCh *const, const XMLCh *const, const XMLCh *const qname, const xercesc::Attributes &attributes) override
OMSSAXMLFile & operator=(const OMSSAXMLFile &rhs)
void setModificationDefinitionsSet(const ModificationDefinitionsSet &rhs)
sets the valid modifications
bool load_proteins_
should protein hits be read from the file?
Definition OMSSAXMLFile.h:116
void characters(const XMLCh *const chars, const XMLSize_t) override
std::map< std::string, UInt > mods_to_num_
modification mapping reverse, from the modification to the mod_num
Definition OMSSAXMLFile.h:125
std::string actual_mod_type_
type of the modification
Definition OMSSAXMLFile.h:110
~OMSSAXMLFile() override
Destructor.
void endElement(const XMLCh *const, const XMLCh *const, const XMLCh *const qname) override
UInt actual_mod_site_
site of the actual modification (simple position in the peptide)
Definition OMSSAXMLFile.h:107
PeptideIdentificationList * peptide_identifications_
the identifications (storing the peptide hits)
Definition OMSSAXMLFile.h:90
Representation of a peptide evidence.
Definition PeptideEvidence.h:28
Represents a single spectrum match (candidate) for a specific tandem mass spectrum (MS/MS).
Definition PeptideHit.h:52
Container for peptide identifications from multiple spectra.
Definition PeptideIdentificationList.h:66
Represents the set of candidates (SpectrumMatches) identified for a single precursor spectrum.
Definition PeptideIdentification.h:66
Representation of a protein hit.
Definition ProteinHit.h:35
Representation of a protein identification run.
Definition ProteinIdentification.h:55
unsigned int UInt
Unsigned integer type.
Definition Types.h:64
void load(const std::string &filename, ProteinIdentification &protein_identification, PeptideIdentificationList &id_data, bool load_proteins=true, bool load_empty_hits=true)
loads data from a OMSSAXML file
Main OpenMS namespace.
Definition openswathalgo/include/OpenMS/OPENSWATHALGO/DATAACCESS/ISpectrumAccess.h:19