OpenMS
MSChromatogram Class Reference

The representation of a chromatogram. More...

#include <OpenMS/KERNEL/MSChromatogram.h>

Inheritance diagram for MSChromatogram:
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Collaboration diagram for MSChromatogram:
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Classes

struct  MZLess
 Comparator for the retention time. More...
 

Public Types

Base type definitions

Peak type

typedef ChromatogramPeak PeakType
 
typedef PeakType::CoordinateType CoordinateType
 Coordinate (RT) type. More...
 
typedef std::vector< PeakTypeContainerType
 Chromatogram base type. More...
 
typedef RangeManager< RangeRT, RangeIntensityRangeManagerType
 RangeManager. More...
 
typedef OpenMS::DataArrays::FloatDataArray FloatDataArray
 Float data array vector type. More...
 
typedef std::vector< FloatDataArrayFloatDataArrays
 
typedef OpenMS::DataArrays::StringDataArray StringDataArray
 String data array vector type. More...
 
typedef std::vector< StringDataArrayStringDataArrays
 
typedef OpenMS::DataArrays::IntegerDataArray IntegerDataArray
 Integer data array vector type. More...
 
typedef std::vector< IntegerDataArrayIntegerDataArrays
 
Peak container iterator type definitions
typedef ContainerType::iterator Iterator
 Mutable iterator. More...
 
typedef ContainerType::const_iterator ConstIterator
 Non-mutable iterator. More...
 
typedef ContainerType::reverse_iterator ReverseIterator
 Mutable reverse iterator. More...
 
typedef ContainerType::const_reverse_iterator ConstReverseIterator
 Non-mutable reverse iterator. More...
 
- Public Types inherited from RangeManagerContainer< RangeRT, RangeIntensity >
using ThisRangeType = typename RangeManager< RangeBases... >::ThisRangeType
 
- Public Types inherited from RangeManager< RangeBases... >
using ThisRangeType = RangeManager< RangeBases... >
 
- Public Types inherited from ChromatogramSettings
enum  ChromatogramType {
  MASS_CHROMATOGRAM = 0 , TOTAL_ION_CURRENT_CHROMATOGRAM , SELECTED_ION_CURRENT_CHROMATOGRAM , BASEPEAK_CHROMATOGRAM ,
  SELECTED_ION_MONITORING_CHROMATOGRAM , SELECTED_REACTION_MONITORING_CHROMATOGRAM , ELECTROMAGNETIC_RADIATION_CHROMATOGRAM , ABSORPTION_CHROMATOGRAM ,
  EMISSION_CHROMATOGRAM , SIZE_OF_CHROMATOGRAM_TYPE
}
 

Public Member Functions

double getMZ () const
 returns the mz of the product entry, makes sense especially for MRM scans More...
 
void mergePeaks (MSChromatogram &other, bool add_meta=false)
 Adds all the chromatogram peaks from another MSChromatogram and updates the metadata to indicate a merge. More...
 
Export methods from std::vector
 MSChromatogram ()=default
 Constructor. More...
 
 MSChromatogram (const MSChromatogram &)=default
 Copy constructor. More...
 
 MSChromatogram (MSChromatogram &&)=default
 Move constructor. More...
 
 ~MSChromatogram ()=default
 Destructor. More...
 
MSChromatogramoperator= (const MSChromatogram &source)
 Assignment operator. More...
 
MSChromatogramoperator= (MSChromatogram &&) &=default
 Move assignment operator. More...
 
bool operator== (const MSChromatogram &rhs) const
 Equality operator. More...
 
bool operator!= (const MSChromatogram &rhs) const
 Equality operator. More...
 
void updateRanges () override
 
Accessors for meta information

Returns the name

const StringgetName () const
 
void setName (const String &name)
 Sets the name. More...
 
Peak data array methods

These methods are used to annotate each peak in a chromatogram with meta information. It is an intermediate way between storing the information in the peak's MetaInfoInterface and deriving a new peak type with members for this information.

These statements should help you chose which approach to use

  • Access to meta info arrays is slower than to a member variable
  • Access to meta info arrays is faster than to a MetaInfoInterface
  • Meta info arrays are stored when using mzML format for storing
const FloatDataArraysgetFloatDataArrays () const
 
FloatDataArraysgetFloatDataArrays ()
 Returns a mutable reference to the float meta data arrays. More...
 
void setFloatDataArrays (const FloatDataArrays &fda)
 Sets the float meta data arrays. More...
 
const StringDataArraysgetStringDataArrays () const
 Returns a const reference to the string meta data arrays. More...
 
StringDataArraysgetStringDataArrays ()
 Returns a mutable reference to the string meta data arrays. More...
 
void setStringDataArrays (const StringDataArrays &sda)
 Sets the string meta data arrays. More...
 
const IntegerDataArraysgetIntegerDataArrays () const
 Returns a const reference to the integer meta data arrays. More...
 
IntegerDataArraysgetIntegerDataArrays ()
 Returns a mutable reference to the integer meta data arrays. More...
 
void setIntegerDataArrays (const IntegerDataArrays &ida)
 Sets the integer meta data arrays. More...
 
Sorting peaks
void sortByIntensity (bool reverse=false)
 Lexicographically sorts the peaks by their intensity. More...
 
void sortByPosition ()
 Lexicographically sorts the peaks by their position. More...
 
bool isSorted () const
 Checks if all peaks are sorted with respect to ascending RT. More...
 
Searching a peak or peak range
Size findNearest (CoordinateType rt) const
 Binary search for the peak nearest to a specific RT. More...
 
Iterator RTBegin (CoordinateType rt)
 Binary search for peak range begin. More...
 
Iterator RTBegin (Iterator begin, CoordinateType rt, Iterator end)
 Binary search for peak range begin. More...
 
Iterator RTEnd (CoordinateType rt)
 Binary search for peak range end (returns the past-the-end iterator) More...
 
Iterator RTEnd (Iterator begin, CoordinateType rt, Iterator end)
 Binary search for peak range end (returns the past-the-end iterator) More...
 
ConstIterator RTBegin (CoordinateType rt) const
 Binary search for peak range begin. More...
 
ConstIterator RTBegin (ConstIterator begin, CoordinateType rt, ConstIterator end) const
 Binary search for peak range begin. More...
 
ConstIterator RTEnd (CoordinateType rt) const
 Binary search for peak range end (returns the past-the-end iterator) More...
 
ConstIterator MZEnd (CoordinateType rt) const
 
ConstIterator RTEnd (ConstIterator begin, CoordinateType rt, ConstIterator end) const
 Binary search for peak range end (returns the past-the-end iterator) More...
 
Iterator PosBegin (CoordinateType rt)
 Binary search for peak range begin. More...
 
Iterator PosBegin (Iterator begin, CoordinateType rt, Iterator end)
 Binary search for peak range begin. More...
 
ConstIterator PosBegin (CoordinateType rt) const
 Binary search for peak range begin. More...
 
ConstIterator PosBegin (ConstIterator begin, CoordinateType rt, ConstIterator end) const
 Binary search for peak range begin. More...
 
Iterator PosEnd (CoordinateType rt)
 Binary search for peak range end (returns the past-the-end iterator) More...
 
Iterator PosEnd (Iterator begin, CoordinateType rt, Iterator end)
 Binary search for peak range end (returns the past-the-end iterator) More...
 
ConstIterator PosEnd (CoordinateType rt) const
 Binary search for peak range end (returns the past-the-end iterator) More...
 
ConstIterator PosEnd (ConstIterator begin, CoordinateType rt, ConstIterator end) const
 Binary search for peak range end (returns the past-the-end iterator) More...
 
void clear (bool clear_meta_data)
 Clears all data and meta data. More...
 
- Public Member Functions inherited from RangeManagerContainer< RangeRT, RangeIntensity >
virtual ~RangeManagerContainer ()=default
 D'tor. More...
 
const ThisRangeTypegetRange () const
 get range of current data (call updateRanges() before to ensure the range is accurate) More...
 
ThisRangeTypegetRange ()
 get mutable range, provided for efficiency reasons (avoid updateRanges(), if only minor changes were made) More...
 
- Public Member Functions inherited from RangeManager< RangeBases... >
bool operator== (const RangeManager &rhs) const
 
bool operator!= (const RangeManager &rhs) const
 
bool assignUnsafe (const RangeManager< RangeBasesOther... > &rhs)
 
auto & assign (const RangeManager< RangeBasesOther... > &rhs)
 
bool extendUnsafe (const RangeManager< RangeBasesOther... > &rhs)
 
void extend (const RangeManager< RangeBasesOther... > &rhs)
 
void scaleBy (const double factor)
 calls RangeBase::scale() for each dimension More...
 
void minSpanIfSingular (const double min_span)
 If any dimension is a single point, e.g. min==max, then extend this dimension by min_span / 2 on either side. More...
 
bool pushIntoUnsafe (const RangeManager< RangeBasesOther... > &rhs)
 
void pushInto (const RangeManager< RangeBasesOther... > &sandbox)
 
bool clampToUnsafe (const RangeManager< RangeBasesOther... > &rhs)
 
void clampTo (const RangeManager< RangeBasesOther... > &rhs)
 
const RangeBasegetRangeForDim (MSDim dim) const
 obtain a range dimension at runtime using dim More...
 
RangeBasegetRangeForDim (MSDim dim)
 obtain a range dimension at runtime using dim More...
 
HasRangeType hasRange () const
 is any/some/all dimension in this range populated? More...
 
bool containsAll (const RangeManager< RangeBasesOther... > &rhs) const
 
void clearRanges ()
 Resets all ranges. More...
 
ThisRangeTypeclear (const DIM_UNIT range)
 
void printRange (std::ostream &out) const
 print each dimension (base classes) to a stream More...
 
- Public Member Functions inherited from ChromatogramSettings
 ChromatogramSettings ()
 Constructor. More...
 
 ChromatogramSettings (const ChromatogramSettings &)=default
 Copy constructor. More...
 
 ChromatogramSettings (ChromatogramSettings &&)=default
 Move constructor. More...
 
virtual ~ChromatogramSettings ()
 Destructor. More...
 
ChromatogramSettingsoperator= (const ChromatogramSettings &)=default
 
ChromatogramSettingsoperator= (ChromatogramSettings &&) &=default
 Move assignment operator. More...
 
bool operator== (const ChromatogramSettings &rhs) const
 Equality operator. More...
 
bool operator!= (const ChromatogramSettings &rhs) const
 Equality operator. More...
 
const StringgetNativeID () 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 StringgetComment () const
 returns the free-text comment More...
 
void setComment (const String &comment)
 sets the free-text comment More...
 
const InstrumentSettingsgetInstrumentSettings () const
 returns a const reference to the instrument settings of the current spectrum More...
 
InstrumentSettingsgetInstrumentSettings ()
 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 AcquisitionInfogetAcquisitionInfo () const
 returns a const reference to the acquisition info More...
 
AcquisitionInfogetAcquisitionInfo ()
 returns a mutable reference to the acquisition info More...
 
void setAcquisitionInfo (const AcquisitionInfo &acquisition_info)
 sets the acquisition info More...
 
const SourceFilegetSourceFile () const
 returns a const reference to the source file More...
 
SourceFilegetSourceFile ()
 returns a mutable reference to the source file More...
 
void setSourceFile (const SourceFile &source_file)
 sets the source file More...
 
const PrecursorgetPrecursor () const
 returns a const reference to the precursors More...
 
PrecursorgetPrecursor ()
 returns a mutable reference to the precursors More...
 
void setPrecursor (const Precursor &precursor)
 sets the precursors More...
 
const ProductgetProduct () const
 returns a const reference to the products More...
 
ProductgetProduct ()
 returns a mutable reference to the products More...
 
void setProduct (const Product &product)
 sets the products More...
 
ChromatogramType getChromatogramType () const
 returns the chromatogram type, e.g. a SRM chromatogram More...
 
void setChromatogramType (ChromatogramType type)
 sets the chromatogram type More...
 
void setDataProcessing (const std::vector< DataProcessingPtr > &data_processing)
 sets the description of the applied processing More...
 
std::vector< DataProcessingPtr > & getDataProcessing ()
 returns a mutable reference to the description of the applied processing More...
 
const std::vector< boost::shared_ptr< const DataProcessing > > getDataProcessing () const
 returns a const reference to the description of the applied processing More...
 
- Public Member Functions inherited from MetaInfoInterface
 MetaInfoInterface ()
 Constructor. More...
 
 MetaInfoInterface (const MetaInfoInterface &rhs)
 Copy constructor. More...
 
 MetaInfoInterface (MetaInfoInterface &&) noexcept
 Move constructor. More...
 
 ~MetaInfoInterface ()
 Destructor. More...
 
MetaInfoInterfaceoperator= (const MetaInfoInterface &rhs)
 Assignment operator. More...
 
MetaInfoInterfaceoperator= (MetaInfoInterface &&) noexcept
 Move assignment operator. More...
 
void swap (MetaInfoInterface &rhs)
 Swap contents. More...
 
bool operator== (const MetaInfoInterface &rhs) const
 Equality operator. More...
 
bool operator!= (const MetaInfoInterface &rhs) const
 Equality operator. More...
 
const DataValuegetMetaValue (const String &name) const
 Returns the value corresponding to a string, or DataValue::EMPTY if not found. More...
 
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. More...
 
const DataValuegetMetaValue (UInt index) const
 Returns the value corresponding to the index, or DataValue::EMPTY if not found. More...
 
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. More...
 
bool metaValueExists (const String &name) const
 Returns whether an entry with the given name exists. More...
 
bool metaValueExists (UInt index) const
 Returns whether an entry with the given index exists. 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 addMetaValues (const MetaInfoInterface &from)
 function to copy all meta values from one object to this one 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...
 

Protected Attributes

String name_
 Name. More...
 
FloatDataArrays float_data_arrays_
 Float data arrays. More...
 
StringDataArrays string_data_arrays_
 String data arrays. More...
 
IntegerDataArrays integer_data_arrays_
 Integer data arrays. More...
 
- Protected Attributes inherited from ChromatogramSettings
String native_id_
 
String comment_
 
InstrumentSettings instrument_settings_
 
SourceFile source_file_
 
AcquisitionInfo acquisition_info_
 
Precursor precursor_
 
Product product_
 
std::vector< DataProcessingPtrdata_processing_
 
ChromatogramType type_
 
- Protected Attributes inherited from MetaInfoInterface
MetaInfometa_
 Pointer to the MetaInfo object (0 by default) More...
 

Additional Inherited Members

- Static Public Member Functions inherited from MetaInfoInterface
static MetaInfoRegistrymetaRegistry ()
 Returns a reference to the MetaInfoRegistry. More...
 
- Static Public Attributes inherited from ChromatogramSettings
static const char *const ChromatogramNames [SIZE_OF_CHROMATOGRAM_TYPE+1]
 Names of chromatogram types corresponding to enum ChromatogramType. More...
 
- Protected Member Functions inherited from RangeManager< RangeBases... >
void for_each_base_ (Visitor &&visitor)
 use fold expression to iterate over all RangeBases of RangeManager and apply a lambda (Visitor) for each one More...
 
void for_each_base_ (Visitor &&visitor) const
 .. and a const version More...
 
- Protected Member Functions inherited from MetaInfoInterface
void createIfNotExists_ ()
 Creates the MetaInfo object if it does not exist. More...
 
- Static Protected Member Functions inherited from RangeManager< RangeBases... >
static void static_for_each_base_ (Visitor &&visitor)
 use fold expression to iterate over all RangeBases of RangeManager and apply a lambda (Visitor) for each one (for static members) More...
 

Detailed Description

The representation of a chromatogram.

Member Typedef Documentation

◆ ConstIterator

typedef ContainerType::const_iterator ConstIterator

Non-mutable iterator.

◆ ConstReverseIterator

typedef ContainerType::const_reverse_iterator ConstReverseIterator

Non-mutable reverse iterator.

◆ ContainerType

typedef std::vector<PeakType> ContainerType

Chromatogram base type.

◆ CoordinateType

Coordinate (RT) type.

◆ FloatDataArray

Float data array vector type.

◆ FloatDataArrays

typedef std::vector<FloatDataArray> FloatDataArrays

◆ IntegerDataArray

Integer data array vector type.

◆ IntegerDataArrays

typedef std::vector<IntegerDataArray> IntegerDataArrays

◆ Iterator

typedef ContainerType::iterator Iterator

Mutable iterator.

◆ PeakType

◆ RangeManagerType

◆ ReverseIterator

typedef ContainerType::reverse_iterator ReverseIterator

Mutable reverse iterator.

◆ StringDataArray

◆ StringDataArrays

typedef std::vector<StringDataArray> StringDataArrays

Constructor & Destructor Documentation

◆ MSChromatogram() [1/3]

MSChromatogram ( )
default

Constructor.

◆ MSChromatogram() [2/3]

MSChromatogram ( const MSChromatogram )
default

Copy constructor.

◆ MSChromatogram() [3/3]

MSChromatogram ( MSChromatogram &&  )
default

Move constructor.

◆ ~MSChromatogram()

~MSChromatogram ( )
default

Destructor.

Member Function Documentation

◆ clear()

void clear ( bool  clear_meta_data)

Clears all data and meta data.

Parameters
clear_meta_dataIf true, all meta data is cleared in addition to the data.

◆ findNearest()

Size findNearest ( CoordinateType  rt) const

Binary search for the peak nearest to a specific RT.

Parameters
rtThe searched for mass-to-charge ratio searched
Returns
Returns the index of the peak.
Note
Make sure the chromatogram is sorted with respect to RT! Otherwise the result is undefined.
Exceptions
Exception::Preconditionis thrown if the chromatogram is empty (not only in debug mode)

◆ getFloatDataArrays() [1/2]

FloatDataArrays& getFloatDataArrays ( )

Returns a mutable reference to the float meta data arrays.

◆ getFloatDataArrays() [2/2]

const FloatDataArrays& getFloatDataArrays ( ) const

Returns a const reference to the float meta data arrays

Referenced by DataFilters::passes().

◆ getIntegerDataArrays() [1/2]

IntegerDataArrays& getIntegerDataArrays ( )

Returns a mutable reference to the integer meta data arrays.

◆ getIntegerDataArrays() [2/2]

const IntegerDataArrays& getIntegerDataArrays ( ) const

Returns a const reference to the integer meta data arrays.

Referenced by DataFilters::passes().

◆ getMZ()

double getMZ ( ) const

returns the mz of the product entry, makes sense especially for MRM scans

◆ getName()

const String& getName ( ) const

◆ getStringDataArrays() [1/2]

StringDataArrays& getStringDataArrays ( )

Returns a mutable reference to the string meta data arrays.

◆ getStringDataArrays() [2/2]

const StringDataArrays& getStringDataArrays ( ) const

Returns a const reference to the string meta data arrays.

◆ isSorted()

bool isSorted ( ) const

Checks if all peaks are sorted with respect to ascending RT.

◆ mergePeaks()

void mergePeaks ( MSChromatogram other,
bool  add_meta = false 
)

Adds all the chromatogram peaks from another MSChromatogram and updates the metadata to indicate a merge.

Note
Make sure BOTH chromatograms are sorted with respect to RT. Otherwise the result is undefined.
Peak level metadata stored in float_array string_array and int_array of the destination MSChromatogram is not guaranteed to be correct after merging

MZ of the destination MSChromatogram remains unchanged. If add_meta is true a metavalue "merged_with" is added with the MZ of the source MSChromatogram

Parameters
othera reference to the MSChromatogram to take ChromatogramPeaks from

◆ MZEnd()

ConstIterator MZEnd ( CoordinateType  rt) const

◆ operator!=()

bool operator!= ( const MSChromatogram rhs) const
inline

Equality operator.

References OpenMS::Internal::operator==().

◆ operator=() [1/2]

MSChromatogram& operator= ( const MSChromatogram source)

Assignment operator.

◆ operator=() [2/2]

MSChromatogram& operator= ( MSChromatogram &&  ) &
default

Move assignment operator.

◆ operator==()

bool operator== ( const MSChromatogram rhs) const

Equality operator.

◆ PosBegin() [1/4]

ConstIterator PosBegin ( ConstIterator  begin,
CoordinateType  rt,
ConstIterator  end 
) const

Binary search for peak range begin.

Alias for RTBegin()

Note
Make sure the chromatogram is sorted with respect to RT! Otherwise the result is undefined.

◆ PosBegin() [2/4]

Iterator PosBegin ( CoordinateType  rt)

Binary search for peak range begin.

Alias for RTBegin()

Note
Make sure the chromatogram is sorted with respect to retention time! Otherwise the result is undefined.

◆ PosBegin() [3/4]

ConstIterator PosBegin ( CoordinateType  rt) const

Binary search for peak range begin.

Alias for RTBegin()

Note
Make sure the chromatogram is sorted with respect to RT! Otherwise the result is undefined.

◆ PosBegin() [4/4]

Iterator PosBegin ( Iterator  begin,
CoordinateType  rt,
Iterator  end 
)

Binary search for peak range begin.

Alias for RTBegin()

Note
Make sure the chromatogram is sorted with respect to RT! Otherwise the result is undefined.

◆ PosEnd() [1/4]

ConstIterator PosEnd ( ConstIterator  begin,
CoordinateType  rt,
ConstIterator  end 
) const

Binary search for peak range end (returns the past-the-end iterator)

Alias for RTEnd()

Note
Make sure the chromatogram is sorted with respect to RT. Otherwise the result is undefined.

◆ PosEnd() [2/4]

Iterator PosEnd ( CoordinateType  rt)

Binary search for peak range end (returns the past-the-end iterator)

Alias for RTEnd()

Note
Make sure the chromatogram is sorted with respect to RT. Otherwise the result is undefined.

◆ PosEnd() [3/4]

ConstIterator PosEnd ( CoordinateType  rt) const

Binary search for peak range end (returns the past-the-end iterator)

Alias for RTEnd()

Note
Make sure the chromatogram is sorted with respect to RT. Otherwise the result is undefined.

◆ PosEnd() [4/4]

Iterator PosEnd ( Iterator  begin,
CoordinateType  rt,
Iterator  end 
)

Binary search for peak range end (returns the past-the-end iterator)

Alias for RTEnd()

Note
Make sure the chromatogram is sorted with respect to RT. Otherwise the result is undefined.

◆ RTBegin() [1/4]

ConstIterator RTBegin ( ConstIterator  begin,
CoordinateType  rt,
ConstIterator  end 
) const

Binary search for peak range begin.

Note
Make sure the chromatogram is sorted with respect to RT! Otherwise the result is undefined.

◆ RTBegin() [2/4]

Iterator RTBegin ( CoordinateType  rt)

Binary search for peak range begin.

Note
Make sure the chromatogram is sorted with respect to retention time! Otherwise the result is undefined.

◆ RTBegin() [3/4]

ConstIterator RTBegin ( CoordinateType  rt) const

Binary search for peak range begin.

Note
Make sure the chromatogram is sorted with respect to RT! Otherwise the result is undefined.

◆ RTBegin() [4/4]

Iterator RTBegin ( Iterator  begin,
CoordinateType  rt,
Iterator  end 
)

Binary search for peak range begin.

Note
Make sure the chromatogram is sorted with respect to RT! Otherwise the result is undefined.

◆ RTEnd() [1/4]

ConstIterator RTEnd ( ConstIterator  begin,
CoordinateType  rt,
ConstIterator  end 
) const

Binary search for peak range end (returns the past-the-end iterator)

Note
Make sure the chromatogram is sorted with respect to RT. Otherwise the result is undefined.

◆ RTEnd() [2/4]

Iterator RTEnd ( CoordinateType  rt)

Binary search for peak range end (returns the past-the-end iterator)

Note
Make sure the chromatogram is sorted with respect to RT. Otherwise the result is undefined.

◆ RTEnd() [3/4]

ConstIterator RTEnd ( CoordinateType  rt) const

Binary search for peak range end (returns the past-the-end iterator)

Note
Make sure the chromatogram is sorted with respect to RT. Otherwise the result is undefined.

◆ RTEnd() [4/4]

Iterator RTEnd ( Iterator  begin,
CoordinateType  rt,
Iterator  end 
)

Binary search for peak range end (returns the past-the-end iterator)

Note
Make sure the chromatogram is sorted with respect to RT. Otherwise the result is undefined.

◆ setFloatDataArrays()

void setFloatDataArrays ( const FloatDataArrays fda)
inline

Sets the float meta data arrays.

◆ setIntegerDataArrays()

void setIntegerDataArrays ( const IntegerDataArrays ida)
inline

Sets the integer meta data arrays.

◆ setName()

void setName ( const String name)

Sets the name.

◆ setStringDataArrays()

void setStringDataArrays ( const StringDataArrays sda)
inline

Sets the string meta data arrays.

◆ sortByIntensity()

void sortByIntensity ( bool  reverse = false)

Lexicographically sorts the peaks by their intensity.

Sorts the peaks according to ascending intensity. Meta data arrays will be sorted accordingly.

Referenced by MRMTransitionGroupPicker::pickTransitionGroup().

◆ sortByPosition()

void sortByPosition ( )

Lexicographically sorts the peaks by their position.

The chromatogram is sorted with respect to position. Meta data arrays will be sorted accordingly.

◆ updateRanges()

void updateRanges ( )
inlineoverridevirtual

implement this function to reflect the underlying data of the derived class (e.g. an MSSpectrum) Usually, call clearRanges() internally and then populate the dimensions.

Implements RangeManagerContainer< RangeRT, RangeIntensity >.

Member Data Documentation

◆ float_data_arrays_

FloatDataArrays float_data_arrays_
protected

Float data arrays.

◆ integer_data_arrays_

IntegerDataArrays integer_data_arrays_
protected

Integer data arrays.

◆ name_

String name_
protected

Name.

◆ string_data_arrays_

StringDataArrays string_data_arrays_
protected

String data arrays.