From 900378c4f034e41fdbf504f0140f51bb2dc1d65b Mon Sep 17 00:00:00 2001 From: LukeCaruzo Date: Mon, 20 Nov 2017 14:51:32 +0100 Subject: [PATCH] changes and bugfix --- inst/java/deisotoper-1.0-SNAPSHOT.jar | Bin 74309 -> 74470 bytes .../R/FeaturesBasedDeisotopingMethodR.java | 18 ++++++++++-------- 2 files changed, 10 insertions(+), 8 deletions(-) diff --git a/inst/java/deisotoper-1.0-SNAPSHOT.jar b/inst/java/deisotoper-1.0-SNAPSHOT.jar index 7428ce6ca495caa3f0769ea4a567340a400f7462..e72baba063a64fe15602ba29b450f57bb00e43f6 100644 GIT binary patch delta 20529 zcmZ7db95%p7xoJ$nbYUXxKXU!T%;S(v>$uGKtO~bK|p>c?yF-0)J&b6E$!_XjBN~^ zos(5;l~EPZ{TOJfE+eH%UK47xz@hIGEDc|!xNu4$&Vi1aY8pRM)^)S$dzY}@3*@FB zf4nKmo{|v%oS}k0<$KvWZO=;Wd_TRJ-32*`N58{v1PcTc0y_Z@h7bW4ffy3$8tQ_p z6$wwnU=D|f#pLz^Oi$z49cnKRIJ8W<~DaC4ZyQ(?y*KfB0cI0jd*>f7Y(@n6;7++Qz zq}EqtCh7^_jV>X!SJq_|@|RVFMRu&ClCp+(9vVMZ{77R)QS5L4Bv{_QdxIaU!>rQ@zX ziSk-8)3Cw>JWw=M7{|X?cus09#}9i~awZC{ceHvHYkmRhHUv-whc#k#LDVOpI8FooWhc63&S*la^o6byPi*dqds 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a/java/deisotoper/src/main/java/ch/fgcz/proteomics/R/FeaturesBasedDeisotopingMethodR.java +++ b/java/deisotoper/src/main/java/ch/fgcz/proteomics/R/FeaturesBasedDeisotopingMethodR.java @@ -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();