| OpenMS 2.5.0

Improvements List

Class AveragePosition< D >
  A lot of convenience methods could be added. For example, we could overload operator + and -, consequently +=, -=, even < and ==, inherit the whole thing from an extended DPosition with similar methods, initialize from iterator ranges, ... but there are not concrete use cases at the moment. Please contact the maintainer if you need something for your application field. (Clemens)
Class BernNorm
  read paper and try to confirm implementation (Andreas)
Member ComplementFilter::apply (SpectrumType &spectrum)
  think about an correct fast algorithm, not just an heuristic (Andreas)
Class ConstRefVector< ContainerT >
  Check if we can omit the iterator template arguments (Clemens)
Class ConvexHull2D
  For chromatograms we could postprocess the input and remove points in intermediate RT scans, which are currently reported but make the number of points rather large.
Class ElementDB

  include exact mass values for the isotopes (done) and update IsotopeDistribution (Andreas)

  add exact isotope distribution based on exact isotope values (Andreas)

Class FeatureFinderAlgorithmPicked

  RT model with tailing/fronting (Marc)

  More general MZ model - e.g. based on co-elution or with sulfur-averagines (Marc)

Class MetaDataBrowser
  Add generic mechanism to add items to data vectors e.g. for Instrument - IonSource (Hiwi)
Page OMSSAAdapter
  modes to read OMSSA output data and save in idXML format (Andreas)
Member OpenMS::Internal::MapType
  Add implementation and tests of 'supDataArray' to store IntegerDataArray and StringDataArray of MSSpectrum (Hiwi)
Class PeptideProteinResolution
  The class could provide iterator for ConnectedComponents in the future. One could extend the graph to include all PeptideHits (not only the best). It becomes a tripartite graph with larger connected components then. Maybe extend it to work with MS1 features. Separate resolution and adding groups to output.
Class Spectrum2DCanvas

  Add RT interpolation mode for high zoom in 2D View (Hiwi)

  Snap also to min intensity (Hiwi)

Class SpectrumCanvas
  Add log mode (Hiwi)
Class TOPPViewBase

  Use DataRepository singleton to share data between TOPPView and the canvas classes (Hiwi)

  For painting single mass traces with no width we currently paint each line twice (once going down, and then coming back up). This could be more efficient...

  Keep spectrum browser widgets of all layers in memory in order to avoid rebuilding the entire tree view every time the active layer changes (Hiwi, Johannes)