Skip to content

Commit

Permalink
changes and bugfix
Browse files Browse the repository at this point in the history
  • Loading branch information
LucasSchmidt97 committed Nov 20, 2017
1 parent 6df85b4 commit 900378c
Show file tree
Hide file tree
Showing 2 changed files with 10 additions and 8 deletions.
Binary file modified inst/java/deisotoper-1.0-SNAPSHOT.jar
Binary file not shown.
Original file line number Diff line number Diff line change
Expand Up @@ -48,14 +48,16 @@ public class FeaturesBasedDeisotopingMethodR {
// return Deisotoper.deisotopeMS(input, modus, config);
// }

public static String getGraphFromIS(IsotopicSet is, MassSpectrum ms, Configuration config) {
IsotopicClusterGraph icg = new IsotopicClusterGraph(is);

icg.scoreIsotopicClusterGraph(ms.getPeptideMass(), ms.getChargeState(), config.getErrortolerance(),
new Peaklist(ms), config);

return icg.toDOTGraph();
}
// public static String getGraphFromIS(IsotopicSet is, MassSpectrum ms,
// Configuration config) {
// IsotopicClusterGraph icg = new IsotopicClusterGraph(is);
//
// icg.scoreIsotopicClusterGraph(ms.getPeptideMass(), ms.getChargeState(),
// config.getErrortolerance(),
// new Peaklist(ms), config);
//
// return icg.toDOTGraph();
// }

public static String getStatistic(MassSpectrometryMeasurement msm, Configuration config) {
int numberms = msm.getMSlist().size();
Expand Down

0 comments on commit 900378c

Please sign in to comment.