github.com/OpenMS/OpenMS commits | Ecosyste.ms: OpenCollective

[TEST] spline replaced by linear regression in peak width estimation

532b5a32a2a61a489ddda766224e1dda2fa5f6ad authored over 10 years ago by lars20070 <[email protected]>

[TEST] TOPP tests fixed

8e85592c601e190e7c59dd54afe60935ae7ea68f authored over 10 years ago by lars20070 <[email protected]>

[TEST] TOPP tests fixed

0233ecb43923b558867c8a1cbac9f22e44d81054 authored over 10 years ago by lars20070 <[email protected]>

[TEST] PeakPickerHiRes_test fixed

e91b53195a079ce63f1068ca1053dc0aa14b8c07 authored over 10 years ago by lars20070 <[email protected]>

[INTERNAL] peak boundaries fixed

4da86fb16bc2789fc5a13f58d5a32c5ee593c83f authored over 10 years ago by lars20070 <[email protected]>

[INTERNAL] minor changes

6a63312789eeec6724d9f7c64f15a5a1c73d887a authored over 10 years ago by lars20070 <[email protected]>

[INTERNAL] fixed peak boundaries

6c38bf32ab6f8fd777f75e472531bd0104e551ce authored over 10 years ago by lars20070 <[email protected]>

[DOC] comments in peak picker corrected

230972ab9bc57120a4a23dbf5bbb71c4dc8faba3 authored over 10 years ago by lars20070 <[email protected]>

[INTERNAL] hash grid construction fixed

049855726020ef5b4a7275bc4ddf1ee8eda3b844 authored over 10 years ago by lars20070 <[email protected]>

Merge pull request #876 from aiche/doc/class_only_target

[DOC] added new doc_class_only target

3967b1fa4f3efddfd1501b303733e24b6918e9fa authored over 10 years ago by Stephan Aiche <[email protected]>

adds doc_class_only to the targets messages (incl. cleanups of the targets messages)

75014e90f3a8641be1a2f1bbe6773a4d9de9a6a8 authored over 10 years ago by Stephan Aiche <[email protected]>

[API] write debug fixed

5f3848eddb1d637a59fcb679662e4c5ae6cacc00 authored over 10 years ago by lars20070 <[email protected]>

[DOC] MultiplexClustering docu

a9e0d3475b7cd027f00ae7bf6458ef622b96c983 authored over 10 years ago by lars20070 <[email protected]>

[API] write debug finished

b5fdd4645cc56833bb8dd3ae704c2750fb27e7b1 authored over 10 years ago by lars20070 <[email protected]>

[API] write debug output added

34bbf4cb1fd9964811ed34c437baa7de2e641901 authored over 10 years ago by lars20070 <[email protected]>

[INTERNAL] debug output collected

e923f594b4dddb6d9cf0aa0b46af89a7abfe65b9 authored over 10 years ago by lars20070 <[email protected]>

[API] cluster() finished

222199969139a817f36ddaf1ea18c120199ff86d authored over 10 years ago by lars20070 <[email protected]>

[API] constructor finished

7614bae037cce5ed8e2c818a58b6b02e38652d8a authored over 10 years ago by lars20070 <[email protected]>

[API] grid spacing constructed

35675db95c7e8e80a632636c5360c096d9aae1f4 authored over 10 years ago by lars20070 <[email protected]>

[API] PeakWidthEstimator constructor fixed

f0180ed64a4b31ee8253ea62fb475d98240fbc2b authored over 10 years ago by lars20070 <[email protected]>

[API] PeakWidthEstimator finished

a04bccd5421a4c0246aacdcc7f314484a214c42e authored over 10 years ago by lars20070 <[email protected]>

[API] getPeakWidth added

29a69a6c29a090cd570fb829feecb5605148b697 authored over 10 years ago by lars20070 <[email protected]>

[API] MultiplexClustering added

1c142c52880d38eb9608fd8446c8acac6ae4c213 authored over 10 years ago by lars20070 <[email protected]>

Merge remote-tracking branch 'upstream/develop' into feature/MultiplexClustering2

c80ba6c241b36136ffa1343334bc1f9a5e6bc247 authored over 10 years ago by lars20070 <[email protected]>

[API] HashGrid2, Cluster and LocalClustering added

15c88679c0be87ff7475f2370cad3e8a6d75f7c8 authored over 10 years ago by lars20070 <[email protected]>

[DOC] added new doc_class_only target that builds only the class documentation

6dd01f706df154a8fd96dea2fca1d2e6b5807b6b authored over 10 years ago by Stephan Aiche <[email protected]>

[INTERNAL] removed 'AASequence::parseUnmodifiedString_' (no longer needed)

361d4c20c8e85f8a2b1d339c8f70fb088ac5e7d7 authored over 10 years ago by Hendrik Weisser <[email protected]>

[TEST] removed tests of 'AASequence::fromUnmodifiedString'

'fromUnmodifiedString' was not needed after rewrite of 'fromString' and was not merged in

4020be5c59d63c0907fbe4e38c3573049736b923 authored over 10 years ago by Hendrik Weisser <[email protected]>

[DOC] updated AASequence documentation

eee17d07ad540d5def15607ec94a549b0819e002 authored over 10 years ago by Hendrik Weisser <[email protected]>

Merge pull request #873 from aiche/fix/macosx-qsysinfo-fix

[FIX] fixed macosx version query

bcfc2871d138a80c332d9b387bc92f64b90bfc74 authored over 10 years ago by Hannes Roest <[email protected]>

[FIX] fixed macosx version query

* QSysInfo::MV_10_9 is not available in older Qt versions, which leads to a compile error for Q...

783062eab8322a8d63f62e03523591b7647bb37a authored over 10 years ago by Stephan Aiche <[email protected]>

Merge branch 'develop' of https://github.com/OpenMS/OpenMS into AASeq-robustness

37df33dc81e917ae251135ccba9fd783d359529f authored over 10 years ago by Hendrik Weisser <[email protected]>

Merge pull request #870 from aiche/fix/doxygen-1.8.7-fixes

[FIX,DOC] doxygen 1.8.7 fixes

ab4d01f445f69be7c008b6d6f1d07b88c67eba78 authored over 10 years ago by Hannes Roest <[email protected]>

Merge pull request #869 from aiche/fix/cachedmzml_x86

[FIX] fixed problems with negative sizeof values in CachedMzML

a51ca6baedc7b1283aea31d69c18bd1fe8baa57c authored over 10 years ago by Hannes Roest <[email protected]>

[DOC] removed reference to class search engine as it is no longer available

989b0a8acb49e70eba941f4e44037c42c22b953b authored over 10 years ago by Stephan Aiche <[email protected]>

[FIX,DOC] fix doxygen/latex compile issue with newer doxygen versions

156ca26e49466957ba8c029f406706e7f7d8d9ab authored over 10 years ago by Stephan Aiche <[email protected]>

[FIX] fixed problems with negative sizeof values

* affects win 32bit machines

5c88a156b597c5b4b1ebdd2ba4ff2ea0d5d9063d authored over 10 years ago by Stephan Aiche <[email protected]>

Merge pull request #816 from hroest/feature/CachedMzMLFormatChange

[FEATURE,FORMAT] cached mz ml format change

04ec8a5c5c08ac9c9418df58bd5074d734e0f2ab authored over 10 years ago by Stephan Aiche <[email protected]>

Merge pull request #867 from aiche/fix/gamma-distribution-fitter-eigen3.2.1

[FIX-#861,DOC] fixed eigen 3.2.1 problems with GammaDistributionFitter

80d0ef3b94dbefdb284bf57150cf6e8d5948a141 authored over 10 years ago by Hannes Roest <[email protected]>

Merge pull request #866 from aiche/feature/git-version-embedding

[FEATURE] git version embedding

3cdd0782aa795c0ea5a7b50eaf294e85ab7abf38 authored over 10 years ago by Hannes Roest <[email protected]>

[NOP] add revision number (if available) also to the GUI About dialogs

334099302aa5486fac059b1019ef6177dc1324ab authored over 10 years ago by Stephan Aiche <[email protected]>

Merge branch 'develop' of https://github.com/OpenMS/OpenMS into AASeq-robustness

68a06dcba79efaec7347b5423f7c1981ce6af41d authored over 10 years ago by Hendrik Weisser <[email protected]>

[FEATURE,TEST] refactored AASequence creation from string, increased robustness of parsing (fixed #818), updated tests

3a4bfff94aa633d0a006a06a4ca465724262eb63 authored over 10 years ago by Hendrik Weisser <[email protected]>

Merge remote-tracking branch 'upstream/develop' into feature/MultiplexFiltering

64fb4473674fb27e310c6ea6e49952fae0ff7760 authored over 10 years ago by lars20070 <[email protected]>

[TEST] MultiplexFiltering class test fixed

05f4c5bc2e04d140029f9d88795ff1cfb6579985 authored over 10 years ago by lars20070 <[email protected]>

[TEST] MultiplexFiltering class test added

87684407ef5cdde7ccc5385c612fa842653f76bb authored over 10 years ago by lars20070 <[email protected]>

Merge pull request #858 from timosachsenberg/feature/AASequence_speedup

[FEATURE] ~40x speedup for construction of unmodified AASequence

ce1be30d6ff7028fea5a99f20cf75beda131139a authored over 10 years ago by Stephan Aiche <[email protected]>

[TEST] FilterResult class test added

814ece68ec59ee2331459d85f54a636cea68eaf0 authored over 10 years ago by lars20070 <[email protected]>

[TEST] FilterResultPeak class test added

ad5e11ad50b2b0719e83fbe9cec235becabdbcd9 authored over 10 years ago by lars20070 <[email protected]>

[TEST] FilterResultRaw class test added

9e5278734b86c28f4dea014c437abd85ba1ff031 authored over 10 years ago by lars20070 <[email protected]>

[TEST] PeakPattern class test added

803f99f6a15866f354f91e3a283170cc543253b7 authored over 10 years ago by lars20070 <[email protected]>

[INTERNAL] debug code removed

cf07bc4a59be4782b7317f0474d92ca8126d7a06 authored over 10 years ago by lars20070 <[email protected]>

[INTERNAL] debug code removed

7a994325c4f8be0d581e79bc47bd74f28ea50071 authored over 10 years ago by lars20070 <[email protected]>

[API] constness corrected

c172616c47db6a3bda070bbd5fbe8b885aacdbbb authored over 10 years ago by lars20070 <[email protected]>

[API] constness corrected

a1a8c2e1650a75b1e7516b80d174c097594b7625 authored over 10 years ago by lars20070 <[email protected]>

[API] constness corrected

65a044c5ec699b539e9224a1a508d6a29e7b73e3 authored over 10 years ago by lars20070 <[email protected]>

[API] constness corrected

e3a064c39de3583f9d35db68bf376b0bccddbac2 authored over 10 years ago by lars20070 <[email protected]>

[API] constness corrected

2b95926023c08f4d296b286eb6fa2d4cf00ce17d authored over 10 years ago by lars20070 <[email protected]>

[API] constness corrected

10285e4ad78c4d55a9187060de6ff54de211dbb6 authored over 10 years ago by lars20070 <[email protected]>

[DOC] further work on docu

a1b0a4d36fe106b5ee932512aec7b2b59d7ce536 authored over 10 years ago by lars20070 <[email protected]>

[DOC] further work on docu

9440ba4ce8b85914b8255d0fd0774e01b62bfca7 authored over 10 years ago by lars20070 <[email protected]>

[NOP] removed performance benchmark from AASequence_test

44efa8269ae112363517abe271314c1127a64a39 authored over 10 years ago by Timo Sachsenberg <[email protected]>

[FIX-#861,DOC] fixed eigen 3.2.1 problems with GammaDistributionFitter

* redefined gamma distribution to be 0.0 if parameters are <= 0.0, while this
violated basic...

a444c9a326e41bd2c0ccc2bfe9894c680b56b6a0 authored over 10 years ago by Stephan Aiche <[email protected]>

Merge pull request #865 from hendrikweisser/fix-mascot-phospho

[FIX,TEST,DOC] Work-around for special modifications in Mascot (fixes #864)

350891f9b6f5a7534c900b5c753897552875d50c authored over 10 years ago by Stephan Aiche <[email protected]>

[DOC] work on docu

2516dfb3451ffb65b9082b9f72efe54e771387b8 authored over 10 years ago by lars20070 <[email protected]>

[BUILD,NOP] added missing mac osx version to OpenMSInfo

4e176be9d071ebba1f58fd0a5a5cead17147a5cd authored over 10 years ago by Stephan Aiche <[email protected]>

[BUILD] added git version information to VersionInfo / OpenMSInfo

14ddba736084b53ea5e8d318f128fb9e773a0224 authored over 10 years ago by Stephan Aiche <[email protected]>

[BUILD] small fix in git version extraction

fb9895f9d4a3c2e64b51a3f975aa496329018fda authored over 10 years ago by Stephan Aiche <[email protected]>

[BUILD] added git support to build system

855d744cf7a6d9b7a2f09e709a5f9a7e274d11a0 authored over 10 years ago by Stephan Aiche <[email protected]>

[FIX] fixed updating of member variable on parameter change

835d874a75f81316b4b4bc7223a77f86d8a7ed7c authored over 10 years ago by Hendrik Weisser <[email protected]>

[INTERNAL] all filters roughly tested

23aa6cd06a16cbab3a429a3fab1da6af731a51c0 authored over 10 years ago by lars20070 <[email protected]>

[API] peptide similarity and averagine similarity fixed

5d382a65f456f68105c9d59d17a03385ac7a5061 authored over 10 years ago by lars20070 <[email protected]>

[API] intensity_cutoff_ fixed

8a651ce3dffdbd75a889cc2bc9e498ee7f08ec7d authored over 10 years ago by lars20070 <[email protected]>

[NOP] fixed code formatting (spaces instead of tabs)

a947228dcf970ad3a18e877a057d7bbbf6a54946 authored over 10 years ago by Hendrik Weisser <[email protected]>

[PARAM] added advanced parameter for 'special' modifications with specificity groups; small style fixes

fb287cd6cda0a460c9d3e2dec5c597222bf44eb6 authored over 10 years ago by Hendrik Weisser <[email protected]>

[INTERNAL] index error fixed in getPeakIndex()

c58e51a803affa92e7f3a755bbd1da023d802db4 authored over 10 years ago by lars20070 <[email protected]>

[INTERNAL] names for debug files fixed

699bf66c511027403e4a6687db7967a8af75c649 authored over 10 years ago by lars20070 <[email protected]>

[INTERNAL] debug data points written to file

97e6ee2aebfc1fd1c29dd49ee9ed1022a69fefb0 authored over 10 years ago by lars20070 <[email protected]>

[INTERNAL] struct for debug data points

0f1a936ca671da69638e7c1ad5ae924d97614bd6 authored over 10 years ago by lars20070 <[email protected]>

Merge pull request #859 from hroest/feature/SystemWm

Feature/SystemWildMagic

2b4b9d06a682b526ddfdc557df6128c2dfc26935 authored over 10 years ago by Hannes Roest <[email protected]>

[INTERNAL] filter results filled

e895110271e237e0510cfdd4f9d93789f365d5b6 authored over 10 years ago by lars20070 <[email protected]>

[INTERNAL] peak blacklisting finished

c212ab9950d4f4d426e0d043c2bb94bdce30a0e6 authored over 10 years ago by lars20070 <[email protected]>

[API] peak blacklisting method added

e6f787d3c92abf5df76933a79ba50571b79f7047 authored over 10 years ago by lars20070 <[email protected]>

[INTERNAL] minor changes

8629acc86a5d8fb0b90ce37576eedb6c0a2460b4 authored over 10 years ago by lars20070 <[email protected]>

[INTERNAL] check for empty vectors

d39788cc246b969f3b54d6caf5dcf9c3a367c2d0 authored over 10 years ago by lars20070 <[email protected]>

Merge branch 'develop' of https://github.com/OpenMS/OpenMS into fix-mascot-phospho

7453a0532701770dc69e799e1f9beff5d48d3e6d authored over 10 years ago by Hendrik Weisser <[email protected]>

[DOC] small documentation improvements

2e826004fbe7adf63b49fa970301de6d340e6017 authored over 10 years ago by Hendrik Weisser <[email protected]>

[INTERNAL] averagine distribution constrcted

f90f684289f42d6b44167aefd974b0d046dff3f2 authored over 10 years ago by lars20070 <[email protected]>

[DOC] improved tool documentation of MascotAdapterOnline

a0435939b33fde5ecd51238a29fea295755102ae authored over 10 years ago by Hendrik Weisser <[email protected]>

[TEST,FIX] added test for writing of modifications (related to #864), fixed crucial mistake (data was compared to itself)

34dadc351843abc6dfaba89ca756243606154a6b authored over 10 years ago by Hendrik Weisser <[email protected]>

[FIX-#864] added work-around for using special modifications (specificity groups) in Mascot searches; fixes #864

00b8f4e6d796921edf041c8f21cc406786d873e1 authored over 10 years ago by Hendrik Weisser <[email protected]>

Merge branch 'develop' into feature/AASequence_speedup

c1bec5db332f853b37c90436c80a6c1086369447 authored over 10 years ago by Timo Sachsenberg <[email protected]>

Merge branch 'develop' into feature/AASequence_speedup

2d23d85a2254726d097d0cdecad3dd461b8a9d09 authored over 10 years ago by Timo Sachsenberg <[email protected]>

Merge pull request #863 from aiche/feature/tandem-version-check

[BUILD] added test for x!tandem version to enable tests only with newer ...

b2cfcd2044a5889a4947bc1275b6ab75898472d5 authored over 10 years ago by Hannes Roest <[email protected]>

[BUILD] added test for x!tandem version to enable tests only with newer versions of x!tandem

ec2fb98015033a5a8437a0ebc2729a7878bc6486 authored over 10 years ago by Stephan Aiche <[email protected]>

[TEST] remove test for non-Windows platforms

- using the debian system libraries, this test also fails and it is not
clear why we should ha...

52d4b77f8058fcfbdb6af212586cba89e525f06a authored over 10 years ago by Hannes Roest <[email protected]>

[BUILD] add default path for searching libraries

- on debian systems, most libraries are in /usr/lib and /usr/include so
adding this as default...

b065049577815ac7e7f7426fcb68b549d14f23c4 authored over 10 years ago by Hannes Roest <[email protected]>

[BUILD] enable finding wildmagic on debian

on debian, libwildmagic headers can be found under
/usr/include/libwildmagic/ and also searching...

2afabee8e263fbdf08cff1193350f978794687b6 authored over 10 years ago by Hannes Roest <[email protected]>

[BUILD,FIX] bugfix: add all Wm libraries

- before, only the last wildmagic library of the WM5_LIBS libraries was
added to _WM5_LIBRARIE...

71a702bf8bf6cedd746c1b553d62c9bf92a90e04 authored over 10 years ago by Hannes Roest <[email protected]>

[BUILD] change working boost version numbers

- since boost 1.46 does not work any more and 1.48 works, we should not
have cmake detect a wo...

e9f243f64014077c9f4ca1d0f259e310fe04e2c8 authored over 10 years ago by Hannes Roest <[email protected]>