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| Precursor ()=default |
| Constructor. More...
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| Precursor (const Precursor &)=default |
| Copy constructor. More...
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| Precursor (Precursor &&) noexcept |
| Move constructor. More...
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| ~Precursor () override=default |
| Destructor. More...
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Precursor & | operator= (const Precursor &)=default |
| Assignment operator. More...
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Precursor & | operator= (Precursor &&) &=default |
| Move assignment operator. More...
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bool | operator== (const Precursor &rhs) const |
| Equality operator. More...
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bool | operator!= (const Precursor &rhs) const |
| Equality operator. More...
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const std::set< ActivationMethod > & | getActivationMethods () const |
| returns a const reference to the activation methods More...
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std::set< ActivationMethod > & | getActivationMethods () |
| returns a mutable reference to the activation methods More...
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StringList | getActivationMethodsAsString () const |
| convenience function, returning string representation of getActivationMethods() More...
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void | setActivationMethods (const std::set< ActivationMethod > &activation_methods) |
| sets the activation methods More...
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double | getActivationEnergy () const |
| returns the activation energy (in electronvolt) More...
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void | setActivationEnergy (double activation_energy) |
| sets the activation energy (in electronvolt) More...
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double | getIsolationWindowLowerOffset () const |
| Returns the lower offset from the target m/z. More...
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void | setIsolationWindowLowerOffset (double bound) |
| sets the lower offset from the target m/z More...
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double | getIsolationWindowUpperOffset () const |
| Returns the upper offset from the target m/z. More...
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void | setIsolationWindowUpperOffset (double bound) |
| sets the upper offset from the target m/z More...
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double | getDriftTime () const |
| Returns the ion mobility drift time in milliseconds (-1 means it is not set) More...
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void | setDriftTime (double drift_time) |
| sets the ion mobility drift time in milliseconds More...
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DriftTimeUnit | getDriftTimeUnit () const |
| Returns the ion mobility drift time unit. More...
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void | setDriftTimeUnit (DriftTimeUnit dt) |
| Sets the ion mobility drift time unit. More...
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double | getDriftTimeWindowLowerOffset () const |
| Returns the lower offset from the target ion mobility in milliseconds. More...
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void | setDriftTimeWindowLowerOffset (double drift_time) |
| sets the lower offset from the target ion mobility More...
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double | getDriftTimeWindowUpperOffset () const |
| Returns the upper offset from the target ion mobility in milliseconds. More...
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void | setDriftTimeWindowUpperOffset (double drift_time) |
| sets the upper offset from the target ion mobility More...
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Int | getCharge () const |
| Non-mutable access to the charge. More...
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void | setCharge (Int charge) |
| Mutable access to the charge. More...
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std::vector< Int > & | getPossibleChargeStates () |
| Mutable access to possible charge states. More...
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const std::vector< Int > & | getPossibleChargeStates () const |
| Non-mutable access to possible charge states. More...
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void | setPossibleChargeStates (const std::vector< Int > &possible_charge_states) |
| Sets the possible charge states. More...
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double | getUnchargedMass () const |
| Returns the uncharged mass of the precursor, if charge is unknown, i.e. 0, our best guess is doubly charged. More...
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| CVTermList ()=default |
| Defaults constructor. More...
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| CVTermList (const CVTermList &)=default |
| Copy constructor. More...
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| CVTermList (CVTermList &&) noexcept |
| Move constructor. More...
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virtual | ~CVTermList () |
| Destructor. More...
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CVTermList & | operator= (const CVTermList &rhs) &=default |
| Assignment operator. More...
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CVTermList & | operator= (CVTermList &&) &=default |
| Move assignment operator. More...
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void | setCVTerms (const std::vector< CVTerm > &terms) |
| sets the CV terms More...
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void | replaceCVTerm (const CVTerm &cv_term) |
| replaces the specified CV term More...
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void | replaceCVTerms (const std::vector< CVTerm > &cv_terms, const String &accession) |
| replaces the specified CV terms using the given accession number More...
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void | replaceCVTerms (const std::map< String, std::vector< CVTerm > > &cv_term_map) |
| replaces all cv terms with a map (can be obtained via getCVTerms) More...
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void | consumeCVTerms (const std::map< String, std::vector< CVTerm > > &cv_term_map) |
| merges the given map into the member map, no duplicate checking More...
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const std::map< String, std::vector< CVTerm > > & | getCVTerms () const |
| returns the accession string of the term More...
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void | addCVTerm (const CVTerm &term) |
| adds a CV term More...
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bool | operator== (const CVTermList &cv_term_list) const |
| equality operator More...
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bool | operator!= (const CVTermList &cv_term_list) const |
| inequality operator More...
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bool | hasCVTerm (const String &accession) const |
| checks whether the term has a value More...
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bool | empty () const |
| return true if no terms are available More...
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| MetaInfoInterface () |
| Constructor. More...
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| MetaInfoInterface (const MetaInfoInterface &rhs) |
| Copy constructor. More...
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| MetaInfoInterface (MetaInfoInterface &&) noexcept |
| Move constructor. More...
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| ~MetaInfoInterface () |
| Destructor. More...
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MetaInfoInterface & | operator= (const MetaInfoInterface &rhs) |
| Assignment operator. More...
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MetaInfoInterface & | operator= (MetaInfoInterface &&) noexcept |
| Move assignment operator. More...
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void | swap (MetaInfoInterface &rhs) |
| Swap contents. More...
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bool | operator== (const MetaInfoInterface &rhs) const |
| Equality operator. More...
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bool | operator!= (const MetaInfoInterface &rhs) const |
| Equality operator. More...
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const DataValue & | getMetaValue (const String &name) const |
| Returns the value corresponding to a string, or DataValue::EMPTY if not found. More...
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DataValue | getMetaValue (const String &name, const DataValue &default_value) const |
| Returns the value corresponding to a string, or a default value (e.g.: DataValue::EMPTY) if not found
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const DataValue & | getMetaValue (UInt index) const |
| Returns the value corresponding to the index, or DataValue::EMPTY if not found. More...
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DataValue | getMetaValue (UInt index, const DataValue &default_value) const |
| Returns the value corresponding to the index, or a default value (e.g.: DataValue::EMPTY) if not found
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bool | metaValueExists (const String &name) const |
| Returns whether an entry with the given name exists. More...
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bool | metaValueExists (UInt index) const |
| Returns whether an entry with the given index exists. More...
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void | setMetaValue (const String &name, const DataValue &value) |
| Sets the DataValue corresponding to a name. More...
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void | setMetaValue (UInt index, const DataValue &value) |
| Sets the DataValue corresponding to an index. More...
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void | removeMetaValue (const String &name) |
| Removes the DataValue corresponding to name if it exists. More...
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void | removeMetaValue (UInt index) |
| Removes the DataValue corresponding to index if it exists. More...
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void | addMetaValues (const MetaInfoInterface &from) |
| function to copy all meta values from one object to this one More...
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void | getKeys (std::vector< String > &keys) const |
| Fills the given vector with a list of all keys for which a value is set. More...
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void | getKeys (std::vector< UInt > &keys) const |
| Fills the given vector with a list of all keys for which a value is set. More...
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bool | isMetaEmpty () const |
| Returns if the MetaInfo is empty. More...
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void | clearMetaInfo () |
| Removes all meta values. More...
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bool | operator== (const Peak1D &rhs) const |
| Equality operator. More...
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bool | operator!= (const Peak1D &rhs) const |
| Equality operator. More...
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| Peak1D ()=default |
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| Peak1D (PositionType a, IntensityType b) |
| construct with position and intensity More...
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| Peak1D (const Peak1D &p)=default |
| Copy constructor. More...
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| Peak1D (Peak1D &&) noexcept=default |
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Peak1D & | operator= (const Peak1D &rhs)=default |
| Assignment operator. More...
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Peak1D & | operator= (Peak1D &&) noexcept=default |
| Move assignment operator. More...
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| ~Peak1D ()=default |
| Destructor. More...
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IntensityType | getIntensity () const |
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void | setIntensity (IntensityType intensity) |
| Mutable access to the data point intensity (height) More...
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CoordinateType | getMZ () const |
| Non-mutable access to m/z. More...
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void | setMZ (CoordinateType mz) |
| Mutable access to m/z. More...
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CoordinateType | getPos () const |
| Alias for getMZ() More...
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void | setPos (CoordinateType pos) |
| Alias for setMZ() More...
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PositionType const & | getPosition () const |
| Non-mutable access to the position. More...
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PositionType & | getPosition () |
| Mutable access to the position. More...
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void | setPosition (PositionType const &position) |
| Mutable access to the position. More...
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Precursor meta information.
This class contains precursor information:
- isolation window
- activation
- selected ion (m/z, intensity, charge, possible charge states)
- ion mobility drift time