45 class PeptideIdentification;
100 static const std::string NamesOfPeakMassType[SIZE_OF_PEAKMASSTYPE];
147 const std::vector<ProteinHit> & getHits()
const;
150 std::vector<ProteinHit> & getHits();
159 void setHits(
const std::vector<ProteinHit>& hits);
162 std::vector<ProteinHit>::iterator findHit(
const String& accession);
165 const std::vector<ProteinGroup>& getProteinGroups()
const;
167 std::vector<ProteinGroup>& getProteinGroups();
172 const std::vector<ProteinGroup>& getIndistinguishableProteins()
const;
174 std::vector<ProteinGroup>& getIndistinguishableProteins();
176 void insertIndistinguishableProteins(
const ProteinGroup& group);
179 double getSignificanceThreshold()
const;
181 void setSignificanceThreshold(
double value);
183 const String& getScoreType()
const;
185 void setScoreType(
const String& type);
187 bool isHigherScoreBetter()
const;
189 void setHigherScoreBetter(
bool higher_is_better);
201 void computeCoverage(
const std::vector<PeptideIdentification>& pep_ids);
206 const DateTime& getDateTime()
const;
209 void setDateTime(
const DateTime& date);
211 void setSearchEngine(
const String& search_engine);
213 const String& getSearchEngine()
const;
215 void setSearchEngineVersion(
const String& search_engine_version);
217 const String& getSearchEngineVersion()
const;
225 const String& getIdentifier()
const;
227 void setIdentifier(
const String&
id);
229 void setPrimaryMSRunPath(
const StringList& s);
231 void getPrimaryMSRunPath(
StringList& toFill)
const;
Representation of a protein identification run.
Definition: ProteinIdentification.h:61
String db
The used database.
Definition: ProteinIdentification.h:106
A more convenient string class.
Definition: String.h:57
std::vector< String > fixed_modifications
Used fixed modifications.
Definition: ProteinIdentification.h:111
String db_version
The database version.
Definition: ProteinIdentification.h:107
double probability
Probability of this group.
Definition: ProteinIdentification.h:74
Definition: ProteinIdentification.h:96
double fragment_mass_tolerance
Mass tolerance of fragment ions (Dalton or ppm)
Definition: ProteinIdentification.h:114
unsigned int UInt
Unsigned integer type.
Definition: Types.h:94
String search_engine_version_
Definition: ProteinIdentification.h:239
double precursor_mass_tolerance
Mass tolerance of precursor ions (Dalton or ppm)
Definition: ProteinIdentification.h:116
bool operator==(_Iterator< _Val, _Ref, _Ptr > const &, _Iterator< _Val, _Ref, _Ptr > const &)
Definition: KDTree.h:806
ProteinHit HitType
Hit type definition.
Definition: ProteinIdentification.h:66
Main OpenMS namespace.
Definition: FeatureDeconvolution.h:46
Search parameters of the DB search.
Definition: ProteinIdentification.h:103
bool operator<(const MultiplexDeltaMasses &dm1, const MultiplexDeltaMasses &dm2)
bool precursor_mass_tolerance_ppm
Mass tolerance unit of precursor ions (true: ppm, false: Dalton)
Definition: ProteinIdentification.h:117
String taxonomy
The taxonomy restriction.
Definition: ProteinIdentification.h:108
PeakMassType
Peak mass type.
Definition: ProteinIdentification.h:93
std::vector< ProteinHit > protein_hits_
Definition: ProteinIdentification.h:248
Protease digestion_enzyme
The cleavage site information in details (from ProteaseDB)
Definition: ProteinIdentification.h:118
String protein_score_type_
Definition: ProteinIdentification.h:246
double protein_significance_threshold_
Definition: ProteinIdentification.h:252
std::vector< String > accessions
Accessions of (indistinguishable) proteins that belong to the same group.
Definition: ProteinIdentification.h:77
String id_
Definition: ProteinIdentification.h:237
UInt missed_cleavages
The number of allowed missed cleavages.
Definition: ProteinIdentification.h:113
std::vector< ProteinGroup > protein_groups_
Definition: ProteinIdentification.h:249
String search_engine_
Definition: ProteinIdentification.h:238
std::vector< String > StringList
Vector of String.
Definition: ListUtils.h:73
Representation of a protein hit.
Definition: ProteinHit.h:53
bool higher_score_better_
Definition: ProteinIdentification.h:247
DateTime date_
Definition: ProteinIdentification.h:241
Definition: ProteinIdentification.h:95
bool operator!=(_Iterator< _Val, _Ref, _Ptr > const &, _Iterator< _Val, _Ref, _Ptr > const &)
Definition: KDTree.h:824
DateTime Class.
Definition: DateTime.h:54
bool fragment_mass_tolerance_ppm
Mass tolerance unit of fragment ions (true: ppm, false: Dalton)
Definition: ProteinIdentification.h:115
std::vector< ProteinGroup > indistinguishable_proteins_
Indistinguishable proteins: accessions[0] is "group leader", probability is meaningless.
Definition: ProteinIdentification.h:251
PeakMassType mass_type
Mass type of the peaks.
Definition: ProteinIdentification.h:110
SearchParameters search_parameters_
Definition: ProteinIdentification.h:240
String charges
The allowed charges for the search.
Definition: ProteinIdentification.h:109
Bundles multiple (e.g. indistinguishable) proteins in a group.
Definition: ProteinIdentification.h:71
Representation of a digestion enzyme for proteins (protease)
Definition: DigestionEnzymeProtein.h:48
std::vector< String > variable_modifications
Allowed variable modifications.
Definition: ProteinIdentification.h:112