Helper struct for a collection of mass traces used in FeatureFinderAlgorithmPicked. More...
#include <OpenMS/TRANSFORMATIONS/FEATUREFINDER/FeatureFinderAlgorithmPickedHelperStructs.h>
Public Types | |
| typedef std::vector< MassTrace > | privvec |
| typedef privvec::iterator | iterator |
| typedef privvec::const_iterator | const_iterator |
Public Member Functions | |
| MassTraces () | |
| Constructor. More... | |
| Size | getPeakCount () const |
| Returns the peak count of all traces. More... | |
| bool | isValid (double seed_mz, double trace_tolerance) |
| Checks if still valid (seed still contained and enough traces) More... | |
| Size | getTheoreticalmaxPosition () const |
| Returns the theoretical maximum trace index. More... | |
| void | updateBaseline () |
| Sets the baseline to the lowest contained peak of the trace. More... | |
| std::pair< double, double > | getRTBounds () const |
| Returns the RT boundaries of the mass traces. More... | |
| void | computeIntensityProfile (std::list< std::pair< double, double > > &intensity_profile) const |
| Computes a flat representation of MassTraces, i.e., a single intensity value for each point in RT. The flattened representation is comparable to the TIC of the MassTraces. More... | |
Public Attributes | |
| Size | max_trace |
| Maximum intensity trace. More... | |
| double | baseline |
| Estimated baseline in the region of the feature (used for the fit) More... | |
Detailed Description
Helper struct for a collection of mass traces used in FeatureFinderAlgorithmPicked.
Member Typedef Documentation
◆ const_iterator
| typedef privvec::const_iterator const_iterator |
◆ iterator
| typedef privvec::iterator iterator |
◆ privvec
Constructor & Destructor Documentation
◆ MassTraces()
| MassTraces | ( | ) |
Constructor.
Member Function Documentation
◆ computeIntensityProfile()
Computes a flat representation of MassTraces, i.e., a single intensity value for each point in RT. The flattened representation is comparable to the TIC of the MassTraces.
- Parameters
-
intensity_profile An empty std::list of pair<double, double> that will be filled. The first element of the pair holds the RT value, the second value the sum of intensities of all peaks in the different mass traces with this specific RT.
◆ getPeakCount()
| Size getPeakCount | ( | ) | const |
Returns the peak count of all traces.
◆ getRTBounds()
Returns the RT boundaries of the mass traces.
- Exceptions
-
Exception::Precondition is thrown if there are no mass traces (not only in debug mode)
◆ getTheoreticalmaxPosition()
| Size getTheoreticalmaxPosition | ( | ) | const |
Returns the theoretical maximum trace index.
- Exceptions
-
Exception::Precondition is thrown if there are no mass traces (not only in debug mode)
◆ isValid()
Checks if still valid (seed still contained and enough traces)
◆ updateBaseline()
| void updateBaseline | ( | ) |
Sets the baseline to the lowest contained peak of the trace.
Member Data Documentation
◆ baseline
| double baseline |
Estimated baseline in the region of the feature (used for the fit)
◆ max_trace
| Size max_trace |
Maximum intensity trace.