|
OpenMS
2.5.0
|
Go to the documentation of this file.
45 class PeptideIdentification;
80 Status requires()
const override;
83 const String& getName()
const override;
Base class for TOPP applications.
Definition: TOPPBase.h:144
bool no_mzml_
Definition: MzCalibration.h:91
Storing a status of available/needed inputs (i.e. a set of Requires) as UInt64.
Definition: QCBase.h:118
void store(const String &filename, const std::vector< ProteinIdentification > &protein_ids, const std::vector< PeptideIdentification > &peptide_ids, const String &document_id="")
Stores the data in an idXML file.
Representation of a modification.
Definition: ResidueModification.h:76
String name_
Definition: MzCalibration.h:92
double mz_ref_
Definition: MzCalibration.h:90
Representation of a set of modification definitions.
Definition: ModificationDefinitionsSet.h:58
PeakMassType
Peak mass type.
Definition: ProteinIdentification.h:211
static String basename(const String &file)
Returns the basename of the file (without the path).
UInt missed_cleavages
The number of allowed missed cleavages.
Definition: ProteinIdentification.h:231
File adapter for MzML files.
Definition: MzMLFile.h:55
A more convenient string class.
Definition: String.h:58
In-Memory representation of a mass spectrometry experiment.
Definition: MSExperiment.h:77
size_t Size
Size type e.g. used as variable which can hold result of size()
Definition: Types.h:127
static String removeExtension(const String &file)
Definition: ProteinIdentification.h:213
std::vector< Int > IntList
Vector of signed integers.
Definition: ListUtils.h:55
static String getUniqueName(bool include_hostname=true)
Returns a string, consisting of date, time, hostname, process id, and a incrementing number....
bool operator<(const MultiplexDeltaMasses &dm1, const MultiplexDeltaMasses &dm2)
Map to find a spectrum via its NativeID.
Definition: QCBase.h:75
bool fragment_mass_tolerance_ppm
Mass tolerance unit of fragment ions (true: ppm, false: Dalton)
Definition: ProteinIdentification.h:233
static String concatenate(const std::vector< T > &container, const String &glue="")
Concatenates all elements of the container and puts the glue string between elements.
Definition: ListUtils.h:193
static ModificationsDB * getInstance()
Returns a pointer to the modifications DB (singleton)
static bool exists(const String &file)
Method used to test if a file exists.
Main OpenMS namespace.
Definition: FeatureDeconvolution.h:46
Definition: ProteinIdentification.h:214
std::vector< String > variable_modifications
Allowed variable modifications.
Definition: ProteinIdentification.h:230
PeakMassType mass_type
Mass type of the peaks.
Definition: ProteinIdentification.h:228
char getOrigin() const
Returns the origin (i.e. modified amino acid)
void load(const String &filename, PeakMap &map)
Loads a map from a MzML file. Spectra and chromatograms are sorted by default (this can be disabled u...
String db
The used database.
Definition: ProteinIdentification.h:224
This class serves as an abstract base class for all QC classes.
Definition: QCBase.h:52
double getDiffMonoMass() const
returns the diff monoisotopic mass if set
QString toQString() const
Conversion to Qt QString.
double fragment_mass_tolerance
Mass tolerance of fragment ions (Dalton or ppm)
Definition: ProteinIdentification.h:232
std::vector< String > StringList
Vector of String.
Definition: ListUtils.h:70
std::vector< String > fixed_modifications
Used fixed modifications.
Definition: ProteinIdentification.h:229
int main(int argc, const char **argv)
Definition: INIFileEditor.cpp:73
double precursor_mass_tolerance
Mass tolerance of precursor ions (Dalton or ppm)
Definition: ProteinIdentification.h:234
static String absolutePath(const String &file)
Replaces the relative path in the argument with the absolute path.
A container for features.
Definition: FeatureMap.h:95
Represents the peptide hits for a spectrum.
Definition: PeptideIdentification.h:62
const std::vector< MSSpectrum > & getSpectra() const
returns the spectrum list
void load(const String &filename, std::vector< ProteinIdentification > &proteins, std::vector< PeptideIdentification > &peptides, const String &experiment_name, const SpectrumMetaDataLookup &lookup)
Loads peptide sequences with modifications out of a PepXML file.
void getAllSearchModifications(std::vector< String > &modifications) const
Collects all modifications that can be used for identification searches.
bool precursor_mass_tolerance_ppm
Mass tolerance unit of precursor ions (true: ppm, false: Dalton)
Definition: ProteinIdentification.h:235
static String getTempDirectory()
The current OpenMS temporary data path (for temporary files)
Used to load and store PepXML files.
Definition: PepXMLFile.h:62
QC metric calculating (un)calibrated m/z error.
Definition: MzCalibration.h:58
String getTermSpecificityName(TermSpecificity term_spec=NUMBER_OF_TERM_SPECIFICITY) const
Returns the name of the terminal specificity.
Search parameters of the DB search.
Definition: ProteinIdentification.h:221
TermSpecificity getTermSpecificity() const
returns terminal specificity
const ResidueModification * getModification(Size index) const
Returns the modification with the given index. note: out-of-bounds check is only performed in debug m...
double mz_raw_
Definition: MzCalibration.h:89
Used to load and store idXML files.
Definition: IdXMLFile.h:63