Representation of chromatogram settings, e.g. SRM/MRM chromatograms. More...
#include <OpenMS/METADATA/ChromatogramSettings.h>
Public Member Functions | |
ChromatogramSettings () | |
Constructor. More... | |
ChromatogramSettings (const ChromatogramSettings &source) | |
Copy constructor. More... | |
virtual | ~ChromatogramSettings () |
Destructor. More... | |
ChromatogramSettings & | operator= (const ChromatogramSettings &source) |
bool | operator== (const ChromatogramSettings &rhs) const |
Equality operator. More... | |
bool | operator!= (const ChromatogramSettings &rhs) const |
Equality operator. More... | |
const String & | getNativeID () const |
returns the native identifier for the spectrum, used by the acquisition software. More... | |
void | setNativeID (const String &native_id) |
sets the native identifier for the spectrum, used by the acquisition software. More... | |
const String & | getComment () const |
returns the free-text comment More... | |
void | setComment (const String &comment) |
sets the free-text comment More... | |
const InstrumentSettings & | getInstrumentSettings () const |
returns a const reference to the instrument settings of the current spectrum More... | |
InstrumentSettings & | getInstrumentSettings () |
returns a mutable reference to the instrument settings of the current spectrum More... | |
void | setInstrumentSettings (const InstrumentSettings &instrument_settings) |
sets the instrument settings of the current spectrum More... | |
const AcquisitionInfo & | getAcquisitionInfo () const |
returns a const reference to the acquisition info More... | |
AcquisitionInfo & | getAcquisitionInfo () |
returns a mutable reference to the acquisition info More... | |
void | setAcquisitionInfo (const AcquisitionInfo &acquisition_info) |
sets the acquisition info More... | |
const SourceFile & | getSourceFile () const |
returns a const reference to the source file More... | |
SourceFile & | getSourceFile () |
returns a mutable reference to the source file More... | |
void | setSourceFile (const SourceFile &source_file) |
sets the source file More... | |
const Precursor & | getPrecursor () const |
returns a const reference to the precursors More... | |
Precursor & | getPrecursor () |
returns a mutable reference to the precursors More... | |
void | setPrecursor (const Precursor &precursor) |
sets the precursors More... | |
const Product & | getProduct () const |
returns a const reference to the products More... | |
Product & | getProduct () |
returns a mutable reference to the products More... | |
void | setProduct (const Product &product) |
sets the products More... | |
const std::vector < DataProcessing > & | getDataProcessing () const |
returns a const reference to the description of the applied processing More... | |
std::vector< DataProcessing > & | getDataProcessing () |
returns a mutable reference to the description of the applied processing More... | |
void | setDataProcessing (const std::vector< DataProcessing > &data_processing) |
sets the description of the applied processing More... | |
ChromatogramType | getChromatogramType () const |
returns the chromatogram type, e.g. a SRM chromatogram More... | |
void | setChromatogramType (ChromatogramType type) |
sets the chromatogram type More... | |
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MetaInfoInterface () | |
constructor More... | |
MetaInfoInterface (const MetaInfoInterface &rhs) | |
copy constructor More... | |
~MetaInfoInterface () | |
destructor More... | |
MetaInfoInterface & | operator= (const MetaInfoInterface &rhs) |
assignment operator More... | |
bool | operator== (const MetaInfoInterface &rhs) const |
Equality operator. More... | |
bool | operator!= (const MetaInfoInterface &rhs) const |
Equality operator. More... | |
const DataValue & | getMetaValue (const String &name) const |
returns the value corresponding to a string More... | |
const DataValue & | getMetaValue (UInt index) const |
returns the value corresponding to an index More... | |
bool | metaValueExists (const String &name) const |
returns if this MetaInfo is set More... | |
bool | metaValueExists (UInt index) const |
returns if this MetaInfo is set More... | |
void | setMetaValue (const String &name, const DataValue &value) |
sets the DataValue corresponding to a name More... | |
void | setMetaValue (UInt index, const DataValue &value) |
sets the DataValue corresponding to an index More... | |
void | removeMetaValue (const String &name) |
Removes the DataValue corresponding to name if it exists. More... | |
void | removeMetaValue (UInt index) |
Removes the DataValue corresponding to index if it exists. More... | |
void | getKeys (std::vector< String > &keys) const |
fills the given vector with a list of all keys for which a value is set More... | |
void | getKeys (std::vector< UInt > &keys) const |
fills the given vector with a list of all keys for which a value is set More... | |
bool | isMetaEmpty () const |
returns if the MetaInfo is empty More... | |
void | clearMetaInfo () |
removes all meta values More... | |
Static Public Attributes | |
static const char *const | ChromatogramNames [SIZE_OF_CHROMATOGRAM_TYPE+1] |
Names of chromatogram types corresponding to enum ChromatogramType. More... | |
Protected Attributes | |
String | native_id_ |
String | comment_ |
InstrumentSettings | instrument_settings_ |
SourceFile | source_file_ |
AcquisitionInfo | acquisition_info_ |
Precursor | precursor_ |
Product | product_ |
std::vector< DataProcessing > | data_processing_ |
ChromatogramType | type_ |
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MetaInfo * | meta_ |
pointer to the MetaInfo object. 0 by default More... | |
Additional Inherited Members | |
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static MetaInfoRegistry & | metaRegistry () |
retuns a reference to the MetaInfoRegistry More... | |
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void | createIfNotExists_ () |
creates the MetaInfo object if it does not exist More... | |
Representation of chromatogram settings, e.g. SRM/MRM chromatograms.
It contains the metadata about chromatogram specific instrument settings, acquisition settings, description of the meta values used in the peaks and precursor info.
enum ChromatogramType |
List of chromatogram names, e.g., SELECTED_REACTION_MONITORING_CHROMATOGRAM. Actual names can be accessed using the ChromatogramNames[] array
Constructor.
Referenced by MSChromatogram< ChromatogramPeakType >::clear().
ChromatogramSettings | ( | const ChromatogramSettings & | source | ) |
Copy constructor.
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virtual |
Destructor.
const AcquisitionInfo& getAcquisitionInfo | ( | ) | const |
returns a const reference to the acquisition info
AcquisitionInfo& getAcquisitionInfo | ( | ) |
returns a mutable reference to the acquisition info
ChromatogramType getChromatogramType | ( | ) | const |
returns the chromatogram type, e.g. a SRM chromatogram
Referenced by MzMLHandler< MapType >::writeChromatogram_().
const String& getComment | ( | ) | const |
returns the free-text comment
const std::vector<DataProcessing>& getDataProcessing | ( | ) | const |
returns a const reference to the description of the applied processing
std::vector<DataProcessing>& getDataProcessing | ( | ) |
returns a mutable reference to the description of the applied processing
const InstrumentSettings& getInstrumentSettings | ( | ) | const |
returns a const reference to the instrument settings of the current spectrum
InstrumentSettings& getInstrumentSettings | ( | ) |
returns a mutable reference to the instrument settings of the current spectrum
const String& getNativeID | ( | ) | const |
returns the native identifier for the spectrum, used by the acquisition software.
Referenced by MzMLHandler< MapType >::writeChromatogram_().
const Precursor& getPrecursor | ( | ) | const |
returns a const reference to the precursors
Referenced by MzMLHandler< MapType >::writeChromatogram_().
Precursor& getPrecursor | ( | ) |
returns a mutable reference to the precursors
const Product& getProduct | ( | ) | const |
returns a const reference to the products
Referenced by MSChromatogram< ChromatogramPeakType >::getMZ(), and MzMLHandler< MapType >::writeChromatogram_().
Product& getProduct | ( | ) |
returns a mutable reference to the products
const SourceFile& getSourceFile | ( | ) | const |
returns a const reference to the source file
SourceFile& getSourceFile | ( | ) |
returns a mutable reference to the source file
bool operator!= | ( | const ChromatogramSettings & | rhs | ) | const |
Equality operator.
ChromatogramSettings& operator= | ( | const ChromatogramSettings & | source | ) |
bool operator== | ( | const ChromatogramSettings & | rhs | ) | const |
Equality operator.
Referenced by MSChromatogram< ChromatogramPeakType >::operator==().
void setAcquisitionInfo | ( | const AcquisitionInfo & | acquisition_info | ) |
sets the acquisition info
void setChromatogramType | ( | ChromatogramType | type | ) |
sets the chromatogram type
void setComment | ( | const String & | comment | ) |
sets the free-text comment
void setDataProcessing | ( | const std::vector< DataProcessing > & | data_processing | ) |
sets the description of the applied processing
void setInstrumentSettings | ( | const InstrumentSettings & | instrument_settings | ) |
sets the instrument settings of the current spectrum
void setNativeID | ( | const String & | native_id | ) |
sets the native identifier for the spectrum, used by the acquisition software.
void setPrecursor | ( | const Precursor & | precursor | ) |
sets the precursors
void setProduct | ( | const Product & | product | ) |
sets the products
void setSourceFile | ( | const SourceFile & | source_file | ) |
sets the source file
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Names of chromatogram types corresponding to enum ChromatogramType.
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OpenMS / TOPP release 1.11.1 | Documentation generated on Thu Nov 14 2013 11:19:32 using doxygen 1.8.5 |