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

[TEST] update/fix tests

git-svn-id: https://open-ms.svn.sourceforge.net/svnroot/open-ms/OpenMS@11389 6adb6e08-d915-0410-...

30618d9b88f752b15c3022d76e64c129827e7024 authored over 11 years ago by Hannes Roest <[email protected]>

[NOP] fixed typos

git-svn-id: https://open-ms.svn.sourceforge.net/svnroot/open-ms/OpenMS@11388 6adb6e08-d915-0410-...

9933b4326950e3cda43c8bad79d8ce8430b08edf authored over 11 years ago by Hannes Roest <[email protected]>

[BUILD] pyOpenMS: update pyOpenMS-Checker tool and ignore files

git-svn-id: https://open-ms.svn.sourceforge.net/svnroot/open-ms/OpenMS@11387 6adb6e08-d915-0410-...

8e034b65e7c124676e73f05155c7ca752c03884a authored over 11 years ago by Hannes Roest <[email protected]>

[FIX] pyOpenMS: multiple fixes

- remove duplicated code in MapAlignmentTransformer.pxd
- fix PeakFileOptions
- fix Typo

git-sv...

ffbfca219279826f32b7eae21ed3b00d2d6b87af authored over 11 years ago by Hannes Roest <[email protected]>

[FEATURE] wrap PeakPickerRapid

git-svn-id: https://open-ms.svn.sourceforge.net/svnroot/open-ms/OpenMS@11385 6adb6e08-d915-0410-...

7302e4b0915a26535a2f9439d62c97d4f170def4 authored over 11 years ago by Hannes Roest <[email protected]>

[NOP] licence fix, add test

git-svn-id: https://open-ms.svn.sourceforge.net/svnroot/open-ms/OpenMS@11384 6adb6e08-d915-0410-...

7012b6c7abfd1004e7de59156c1b63871f2339f1 authored over 11 years ago by Hannes Roest <[email protected]>

[FIX] fixed map aligner tutorial code with respect to redesign of MapAlignerPoseClustering in [9805]

git-svn-id: https://open-ms.svn.sourceforge.net/svnroot/open-ms/OpenMS@11383 6adb6e08-d915-0410-...

282297ea93791d10b23285849179271920cbb819 authored over 11 years ago by Stephan Aiche <[email protected]>

[TEST] add Test for GaussFilter Algorithm

git-svn-id: https://open-ms.svn.sourceforge.net/svnroot/open-ms/OpenMS@11382 6adb6e08-d915-0410-...

93be31c6bccd63efdc8b153a017d6b0289e41cfa authored over 11 years ago by Hannes Roest <[email protected]>

[FIX] fixed some PeakPickerRapid calculations

git-svn-id: https://open-ms.svn.sourceforge.net/svnroot/open-ms/OpenMS@11381 6adb6e08-d915-0410-...

436f4a7b5fc5ca5baca3f51a43558b82b21b46b3 authored over 11 years ago by Timo Sachsenberg <[email protected]>

[FEATURE] Added PeakPickerRapid as additional peak picking method (3P gaussian fit)

git-svn-id: https://open-ms.svn.sourceforge.net/svnroot/open-ms/OpenMS@11380 6adb6e08-d915-0410-...

756924aedaf871f65b59c21ce80a60c9da3be0d2 authored over 11 years ago by Erhan Kenar <[email protected]>

[BUILD,DOC] we now require cmake >= 2.8.3 to support certain functionality in find modules

* updated build documentation accordingly
* fixed minor issues in doxygen pages (Main, KnownIs...

d5f054003ff00dcde5701f9f86e337fe8034a5a9 authored over 11 years ago by Stephan Aiche <[email protected]>

[FIX-465] allow TOPPTools to use LOG_DEBUG directly

one can directly write

LOG_DEBUG << "\n\n\nThis is debug!\n\n" << std::endl;

and control the ...

d6842ac73648620ffe6933a2215044aa6ad614bf authored over 11 years ago by Hannes Roest <[email protected]>

[TEST] add load/store of mzML to basic test of external library

git-svn-id: https://open-ms.svn.sourceforge.net/svnroot/open-ms/OpenMS@11377 6adb6e08-d915-0410-...

c5c57912320d9a69c43ef878829509ef345316b8 authored over 11 years ago by Hannes Roest <[email protected]>

[BUILD] fix package detection 11369

- FIND_PACKAGE is case-sensitive (at least on Linux)

git-svn-id: https://open-ms.svn.sourceforg...

69b9a2b4c51854f23cd27072cc211041fc845d8d authored over 11 years ago by Hannes Roest <[email protected]>

[BUILD] add to ignore file

git-svn-id: https://open-ms.svn.sourceforge.net/svnroot/open-ms/OpenMS@11375 6adb6e08-d915-0410-...

1c7c9f6677c1b3790f5b9f741e0e5f609b7129d7 authored over 11 years ago by Hannes Roest <[email protected]>

[FEATURE] pyOpenMS: add 3 more classes

- AccurateMassSearchEngine.pxd
- AccurateMassSearchResult.pxd
- AnnotationStatistics.pxd

git-sv...

b6c45418a5f505d57ced51d65bf55bd3a07b8b40 authored over 11 years ago by Hannes Roest <[email protected]>

[FEATURE] pyOpenMS : wrap more functions

git-svn-id: https://open-ms.svn.sourceforge.net/svnroot/open-ms/OpenMS@11373 6adb6e08-d915-0410-...

542c2d7178c52a9f499a1de65eee90e22b98e1e1 authored over 11 years ago by Hannes Roest <[email protected]>

[FEATURE] pyOpenMS fix TODOs

- attributes for OptimizePeakDeconvolution_Data, Attachment
- fix LocalLinearMap constructor
- a...

5b56870a69903c0faad7187ec0eaef26051b2c06 authored over 11 years ago by Hannes Roest <[email protected]>

[FEATURE] pyOpenMS cleanup, fix TODOs

- Inheritance of ItraqChannelExtractor, ItraqQuantifier fixed
- LocalLinearMap add more function...

f658deef7b6e30cee6d813967d95f4042e6644a3 authored over 11 years ago by Hannes Roest <[email protected]>

[BUILD,FIX] addendum to [11369] to enable building on windows

git-svn-id: https://open-ms.svn.sourceforge.net/svnroot/open-ms/OpenMS@11370 6adb6e08-d915-0410-...

083113753c8b5bd7d439b10dbc44c11294e0454a authored over 11 years ago by Stephan Aiche <[email protected]>

[BUILD,FIX-#520] prepared OpenMS for shared linking

* switched to regular Find modules for GSL (incl. cblas), GLPK, zlib, and bzip2
* we now prefe...

c7ed87c45ddebc180a90e4503477d610fc03278e authored over 11 years ago by Stephan Aiche <[email protected]>

[FIX] seqFault due to missing init of pointers in copy c'tor

git-svn-id: https://open-ms.svn.sourceforge.net/svnroot/open-ms/OpenMS@11366 6adb6e08-d915-0410-...

0fb156c9520b22e935937e3cc014c7edcec54c53 authored over 11 years ago by Chris Bielow <[email protected]>

[DOC] added note that updateRanges is called on consensusXML or featureXML loading

git-svn-id: https://open-ms.svn.sourceforge.net/svnroot/open-ms/OpenMS@11364 6adb6e08-d915-0410-...

1bb49e78fda2f05418365dae2685513428cccb46 authored over 11 years ago by Timo Sachsenberg <[email protected]>

[FIX] removed enum scope

git-svn-id: https://open-ms.svn.sourceforge.net/svnroot/open-ms/OpenMS@11363 6adb6e08-d915-0410-...

c687217b1176fa167e28c2cd1a4b5d61cf13bcf3 authored over 11 years ago by Chris Bielow <[email protected]>

[FIX] made TOPPAS robust against changing input/output types during "Refresh parameters" (one combination was missing)

git-svn-id: https://open-ms.svn.sourceforge.net/svnroot/open-ms/OpenMS@11362 6adb6e08-d915-0410-...

6c339210b3a5cea100884a4b73bdf49da179fd73 authored over 11 years ago by Chris Bielow <[email protected]>

[FIX] removed debug code from test

git-svn-id: https://open-ms.svn.sourceforge.net/svnroot/open-ms/OpenMS@11361 6adb6e08-d915-0410-...

731651d0e6a87bc4a2d52b3a82726ee824d6fecf authored over 11 years ago by Timo Sachsenberg <[email protected]>

[FIX] added missing updateRanges() to test

git-svn-id: https://open-ms.svn.sourceforge.net/svnroot/open-ms/OpenMS@11360 6adb6e08-d915-0410-...

a725ea338f6ac8bfb362d1bbe0b487d6a9f57774 authored over 11 years ago by Timo Sachsenberg <[email protected]>

[FIX] added more updateRanges

git-svn-id: https://open-ms.svn.sourceforge.net/svnroot/open-ms/OpenMS@11359 6adb6e08-d915-0410-...

190824a743f0cc34e4d2606975f2713d778050c6 authored over 11 years ago by Timo Sachsenberg <[email protected]>

[FIX] call updateranges for consensusXML after loading from file

git-svn-id: https://open-ms.svn.sourceforge.net/svnroot/open-ms/OpenMS@11358 6adb6e08-d915-0410-...

69cdac5a8fb9b8039d4a9e4c60de66056925d9c5 authored over 11 years ago by Timo Sachsenberg <[email protected]>

[FIX] updated featureXML version in test files

git-svn-id: https://open-ms.svn.sourceforge.net/svnroot/open-ms/OpenMS@11357 6adb6e08-d915-0410-...

51317f99fb063e313e311840fd02e40eff963da1 authored over 11 years ago by Timo Sachsenberg <[email protected]>

[FIX-#544] write out current featureXML version

git-svn-id: https://open-ms.svn.sourceforge.net/svnroot/open-ms/OpenMS@11356 6adb6e08-d915-0410-...

79c53fa8a3c1b2410db9e3e24a6570487d54dbfd authored over 11 years ago by Timo Sachsenberg <[email protected]>

[FIX] fixed bug introduced by merge

git-svn-id: https://open-ms.svn.sourceforge.net/svnroot/open-ms/OpenMS@11355 6adb6e08-d915-0410-...

5806f245368c9826aa8f3a2e5aff545697295034 authored over 11 years ago by Timo Sachsenberg <[email protected]>

[FIX] * of bug introduced in [11347]

git-svn-id: https://open-ms.svn.sourceforge.net/svnroot/open-ms/OpenMS@11354 6adb6e08-d915-0410-...

bd1b8d420190cb020d5157e16c9c5ebf6e377715 authored over 11 years ago by Chris Bielow <[email protected]>

[FIX, DOC]

* better docu for "map_and" option
* minor speed improvement to FileFilter

git-svn-id: https:/...

b764503d2e17983c1e487888c10c524faaf89035 authored over 11 years ago by Chris Bielow <[email protected]>

[FIX] fixed version number after merge

git-svn-id: https://open-ms.svn.sourceforge.net/svnroot/open-ms/OpenMS@11352 6adb6e08-d915-0410-...

80d848be39a036fe4cc5d3e37ccc1200d9a622e8 authored over 11 years ago by Timo Sachsenberg <[email protected]>

[FIX-#120, FEATURE] * TOPPAS edges now have their target/source parameter names displayed

git-svn-id: https://open-ms.svn.sourceforge.net/svnroot/open-ms/OpenMS@11351 6adb6e08-d915-0410-...

de8bb5832925a20b8cec2fa263b4e0c21af6dbdd authored over 11 years ago by Chris Bielow <[email protected]>

[NOP] merged Release1.10.1 branch into trunk

git-svn-id: https://open-ms.svn.sourceforge.net/svnroot/open-ms/OpenMS@11350 6adb6e08-d915-0410-...

15dd4ed31aad781480ce6ec7983aeb1e6ca48d44 authored over 11 years ago by Timo Sachsenberg <[email protected]>

[PARAM,FIX-#529] renamed parameters for consistency ('consensusfeature' to just 'consensus')

git-svn-id: https://open-ms.svn.sourceforge.net/svnroot/open-ms/OpenMS@11349 6adb6e08-d915-0410-...

9b90e2a3878c4bba77b179e291519fe9fc4c18a0 authored over 11 years ago by Hendrik Weisser <[email protected]>

[FIX] fixed some of the brocken tests introduced by the QT clustering fix

git-svn-id: https://open-ms.svn.sourceforge.net/svnroot/open-ms/OpenMS@11348 6adb6e08-d915-0410-...

f787ca4643f048acbce56ac42d81256feb5a9986 authored over 11 years ago by Timo Sachsenberg <[email protected]>

[FIX] * some minor speed improvements to FileFilter (depending on options)

* allow empty input nodes in TOPPAS

git-svn-id: https://open-ms.svn.sourceforge.net/svnroot/ope...

3ec5be5468fd1bc2d0882d1cd5b7cbb0eeb35eb4 authored over 11 years ago by Chris Bielow <[email protected]>

[FIX] first attempt to fix the FeatureLinkerUnlabeledQT mem bug

git-svn-id: https://open-ms.svn.sourceforge.net/svnroot/open-ms/OpenMS@11346 6adb6e08-d915-0410-...

e9541ebdee28973b845a3c11f449f360dafadbba authored over 11 years ago by Timo Sachsenberg <[email protected]>

[FEATURE] added precusor purity filter to IsobaricAnalyzer (beta)

git-svn-id: https://open-ms.svn.sourceforge.net/svnroot/open-ms/OpenMS@11345 6adb6e08-d915-0410-...

40dd41c544fcc45fa0be799aa0f17e58ffca19b6 authored over 11 years ago by Stephan Aiche <[email protected]>

[FIX-#398] QLineEdit now loses focus (and is thus saved) when file-menu is used. Shortcuts via Ctrl-S will be disabled during active edit

git-svn-id: https://open-ms.svn.sourceforge.net/svnroot/open-ms/OpenMS@11344 6adb6e08-d915-0410-...

bdf176ce986d16ae3618ea76ae006f3477cd03e4 authored over 11 years ago by Chris Bielow <[email protected]>

[FEATURE, TEST] BaseFeature and FeatureMap can report a summary of the annotated features (# of no identications, single ids, multiple ids (but identical || but different))

* IDMapper now prints this information as well e.g.

Feature annotation with identifications:
n...

2271b323ec0acb428c31eac9986ff86ba584fca1 authored over 11 years ago by Chris Bielow <[email protected]>

[FEATURE] pyOpenMS: wrap more functions

git-svn-id: https://open-ms.svn.sourceforge.net/svnroot/open-ms/OpenMS@11342 6adb6e08-d915-0410-...

10b0cdb9574bc70b10f1496eb4b8533e85b50e93 authored over 11 years ago by Hannes Roest <[email protected]>

[TEST,FIX] iterator will not work when adding a chromatogram

git-svn-id: https://open-ms.svn.sourceforge.net/svnroot/open-ms/OpenMS@11341 6adb6e08-d915-0410-...

4d3486cc3d8fd8a5e880c168d85d800a502cd321 authored over 11 years ago by Hannes Roest <[email protected]>

[FIX] fix pyOpenMS after API change

git-svn-id: https://open-ms.svn.sourceforge.net/svnroot/open-ms/OpenMS@11340 6adb6e08-d915-0410-...

8fcd6c062da6abf3d15e02b107ab8f22968facb1 authored over 11 years ago by Hannes Roest <[email protected]>

MSExperiment: inlining delegating functions

git-svn-id: https://open-ms.svn.sourceforge.net/svnroot/open-ms/OpenMS@11339 6adb6e08-d915-0410-...

939432a51a309b3394bbf37a534f2b52cc05c0d9 authored over 11 years ago by Hannes Roest <[email protected]>

MSExperiment: remove push_back() from MSExperiment

git-svn-id: https://open-ms.svn.sourceforge.net/svnroot/open-ms/OpenMS@11338 6adb6e08-d915-0410-...

c77f86df99fb5fa08d2316866761e713bbacab7c authored over 11 years ago by Hannes Roest <[email protected]>

MSExperiment: remove front() and back() from MSExperiment

git-svn-id: https://open-ms.svn.sourceforge.net/svnroot/open-ms/OpenMS@11337 6adb6e08-d915-0410-...

a0dcf4c1e595a76473959cc2967ed4f64727b7d7 authored over 11 years ago by Hannes Roest <[email protected]>

MSExperiment: remove insert() and erase() from MSExperiment

git-svn-id: https://open-ms.svn.sourceforge.net/svnroot/open-ms/OpenMS@11336 6adb6e08-d915-0410-...

6a2ed6f9592219d00f05609bd2c83c01900897f3 authored over 11 years ago by Hannes Roest <[email protected]>

MSExperiment: remove inheritance from std::vector<>

git-svn-id: https://open-ms.svn.sourceforge.net/svnroot/open-ms/OpenMS@11335 6adb6e08-d915-0410-...

1d6dea89a7594a2bf5d38c517109d6a03da58eb0 authored over 11 years ago by Hannes Roest <[email protected]>

[FEATURE] pyOpenMS: DRange

git-svn-id: https://open-ms.svn.sourceforge.net/svnroot/open-ms/OpenMS@11334 6adb6e08-d915-0410-...

f0de9cb3023697fec66131e28195bf8e55592005 authored over 11 years ago by Hannes Roest <[email protected]>

[FIX] pyOpenMS: minor changes

- [FEATURE] pyOpenMS: wrap instance of BinnedSpectrum
- add attributes of TheoreticalIsotopePatt...

a894a845334e08190ef6a17ad8fe36ed8d087862 authored over 11 years ago by Hannes Roest <[email protected]>

[BUILD] PythonChecker update ignore file & cleanup

[FIX,BUILD] read YAML less stringently
- allow entries that have no sub-entries

git-svn-id: htt...

0fb8c5b75977a8f67759875649ff195ffa4c5030 authored over 11 years ago by Hannes Roest <[email protected]>

[FIX] Erroneous export of redundant metabolite IDs was fixed.

git-svn-id: https://open-ms.svn.sourceforge.net/svnroot/open-ms/OpenMS@11331 6adb6e08-d915-0410-...

3b3c2794cd506cd54bde5e46a6c716f6a40e0a83 authored over 11 years ago by Erhan Kenar <[email protected]>

[FIX-#542] TOPPView auto selects the layer to view in 3D if current layer is not raw data

git-svn-id: https://open-ms.svn.sourceforge.net/svnroot/open-ms/OpenMS@11330 6adb6e08-d915-0410-...

f8d23f53afe8f3005e9d9a2df4166fbd4b0efc11 authored over 11 years ago by Chris Bielow <[email protected]>

[FEATURE] update pyOpenMS

add functions to

- ChromatogramPeak
- ConsensusMap
- LightTargetedExperiment

git-svn-id: https...

cb80f35ee14d2739a947819a9f21ae8bbb69f8d4 authored over 11 years ago by Hannes Roest <[email protected]>

[BUILD] Python checker script, ignore file

- rename tests for missing files
- adopt pychecker ignore file

git-svn-id: https://open-ms.svn....

562f56b82e0658369e463cdb6d1fbb412514bbc7 authored over 11 years ago by Hannes Roest <[email protected]>

[FEATURE] pyOpenMS: add Date

git-svn-id: https://open-ms.svn.sourceforge.net/svnroot/open-ms/OpenMS@11327 6adb6e08-d915-0410-...

554d533b9b0494ebb8ddbff71e63898ddd450a79 authored over 11 years ago by Hannes Roest <[email protected]>

[FEATURE] pyOpenMS: add SILACClustering

- handle const attributes

git-svn-id: https://open-ms.svn.sourceforge.net/svnroot/open-ms/OpenM...

431f48a59f96a5f3e7f11f99af36970dacf3e8bf authored over 11 years ago by Hannes Roest <[email protected]>

[FIX] fix after r11319

- per comment that was removed in r11319, meta_ok might not be checked
afterwards and would be...

5a59141d14b8bb278add5930b9279dfe998466c5 authored over 11 years ago by Hannes Roest <[email protected]>

[INTERNAL] move code RNG initialization to library

- finish commit r11178
- also call initialize from TOPPTool
- fix Python bindings

git-svn-id: h...

388bf95cdf3fe1f46080bcf614d0a32a90a4f1dd authored over 11 years ago by Hannes Roest <[email protected]>

[FIX-#516] added more checks such that reporting is more accurate now

git-svn-id: https://open-ms.svn.sourceforge.net/svnroot/open-ms/OpenMS@11323 6adb6e08-d915-0410-...

4a34cc265fe68ddf18baa9627e96b49814b14821 authored over 11 years ago by Chris Bielow <[email protected]>

[FIX-#497] double clicking of any item in a param-edit dialog now activates editing of the value column in the current row

git-svn-id: https://open-ms.svn.sourceforge.net/svnroot/open-ms/OpenMS@11322 6adb6e08-d915-0410-...

557fc2e6654494c0073f514c1986c1cfb0d9bce1 authored over 11 years ago by Chris Bielow <[email protected]>

[FIX] Added AccurateMassSearch to ToolsHandler util list.

git-svn-id: https://open-ms.svn.sourceforge.net/svnroot/open-ms/OpenMS@11321 6adb6e08-d915-0410-...

96f99a4ae5514da78c06cbfd7e5abe7d954eec27 authored over 11 years ago by Erhan Kenar <[email protected]>

[FIX] supress misleading FileInfo message when writing idXML files

git-svn-id: https://open-ms.svn.sourceforge.net/svnroot/open-ms/OpenMS@11320 6adb6e08-d915-0410-...

5de18b8d88fcee469b6ea6a95232fc658c17dc34 authored over 11 years ago by Chris Bielow <[email protected]>

[FIX] some Code Analysis warnings

git-svn-id: https://open-ms.svn.sourceforge.net/svnroot/open-ms/OpenMS@11319 6adb6e08-d915-0410-...

6c6705129e5ddcd6cfe15727fd7817469726ceb6 authored over 11 years ago by Chris Bielow <[email protected]>

[FIX] less verbose, more stats for PeptideIndexer

git-svn-id: https://open-ms.svn.sourceforge.net/svnroot/open-ms/OpenMS@11318 6adb6e08-d915-0410-...

7231d5e1f19cd32cec258cb921ef63209d0cb6f5 authored over 11 years ago by Chris Bielow <[email protected]>

[FIX] Added missing adducts input files to the repository

git-svn-id: https://open-ms.svn.sourceforge.net/svnroot/open-ms/OpenMS@11317 6adb6e08-d915-0410-...

a02cab60bfe806c499b8c50ad154022a3728774d authored over 11 years ago by Erhan Kenar <[email protected]>

[FIX] isdigit() used a namespace (its a C function -- no namespaces)

git-svn-id: https://open-ms.svn.sourceforge.net/svnroot/open-ms/OpenMS@11316 6adb6e08-d915-0410-...

5f896526b9fd0f01ad8b1ebbe8dd2cf2bce229e7 authored over 11 years ago by Chris Bielow <[email protected]>

[TEST] added some modifications to ensure they are correctly handled

git-svn-id: https://open-ms.svn.sourceforge.net/svnroot/open-ms/OpenMS@11315 6adb6e08-d915-0410-...

d3349e80db3d8a3f8002de079f7f32e0db91e9e7 authored over 11 years ago by Chris Bielow <[email protected]>

[FIX] cleanup of AASequence

git-svn-id: https://open-ms.svn.sourceforge.net/svnroot/open-ms/OpenMS@11314 6adb6e08-d915-0410-...

7d899b9d0a936ee89dd13d013d040487774c0811 authored over 11 years ago by Chris Bielow <[email protected]>

[FEATURE, FIX-#524, TEST]

- PeptideIndexer now supports trypsin cleavage Specificity (see docu)
- EnzymaticDigestion exte...

afdbfd1e54804887a591b324e9562e02fb47cfbe authored over 11 years ago by Chris Bielow <[email protected]>

[FIX] remove using namespace std

git-svn-id: https://open-ms.svn.sourceforge.net/svnroot/open-ms/OpenMS@11312 6adb6e08-d915-0410-...

a1dd2f5d6ad00cadad19922c5a94af3b21345382 authored over 11 years ago by Hannes Roest <[email protected]>

[BUILD] escape XML in PythonChecker

git-svn-id: https://open-ms.svn.sourceforge.net/svnroot/open-ms/OpenMS@11311 6adb6e08-d915-0410-...

bd7973d2e98716e1454f72bb8590144680613efc authored over 11 years ago by Hannes Roest <[email protected]>

[BUILD] exclude classes outside of OpenMS

git-svn-id: https://open-ms.svn.sourceforge.net/svnroot/open-ms/OpenMS@11310 6adb6e08-d915-0410-...

f14a4e8732426671f7c2ddfd5843abf88bc3c746 authored over 11 years ago by Hannes Roest <[email protected]>

[FIX] added check of loaded model file in FeatureFindingMetabo.C

git-svn-id: https://open-ms.svn.sourceforge.net/svnroot/open-ms/OpenMS@11309 6adb6e08-d915-0410-...

b4b480b06a2c76273e86299799387ebb10e403ea authored over 11 years ago by Uwe Schmitt <[email protected]>

[FIX] added missing include of locale, should fix the windows builds

git-svn-id: https://open-ms.svn.sourceforge.net/svnroot/open-ms/OpenMS@11308 6adb6e08-d915-0410-...

431a01f4126a2eaa97d4d6333ec8a64389268ba6 authored over 11 years ago by Stephan Aiche <[email protected]>

[FIX] Added mzTab support to AccurateMassSearch util.

git-svn-id: https://open-ms.svn.sourceforge.net/svnroot/open-ms/OpenMS@11307 6adb6e08-d915-0410-...

d7e187f1db80f997910f7b47098adb8aa15ca59e authored over 11 years ago by Erhan Kenar <[email protected]>

[TEST] addendum to [11296]; updated TOPP test output mzML files

git-svn-id: https://open-ms.svn.sourceforge.net/svnroot/open-ms/OpenMS@11306 6adb6e08-d915-0410-...

c80a5de52f0b060c11b165063796ab6b46c9ed16 authored over 11 years ago by Stephan Aiche <[email protected]>

[BUILD] adapt ignore file

git-svn-id: https://open-ms.svn.sourceforge.net/svnroot/open-ms/OpenMS@11305 6adb6e08-d915-0410-...

4ff2b1b25fe1ac846f277a938594c39bf8519fff authored over 11 years ago by Hannes Roest <[email protected]>

[FIX] some pyOpenMS fixes

git-svn-id: https://open-ms.svn.sourceforge.net/svnroot/open-ms/OpenMS@11304 6adb6e08-d915-0410-...

d0151211c3cdc9055e9fc60e2b38669cc84b62fd authored over 11 years ago by Hannes Roest <[email protected]>

[FEATURE] pyOpenMS: HierarchicalCluster and BinnedSpectrum

git-svn-id: https://open-ms.svn.sourceforge.net/svnroot/open-ms/OpenMS@11303 6adb6e08-d915-0410-...

87c104803827917d43539381fbbd815bbb8374ff authored over 11 years ago by Hannes Roest <[email protected]>

[FEATURE] pyOpenMS: IsobaricAnalyzer

git-svn-id: https://open-ms.svn.sourceforge.net/svnroot/open-ms/OpenMS@11302 6adb6e08-d915-0410-...

8cf8182c0f8af47b12cf79cd017c04952712fe6b authored over 11 years ago by Hannes Roest <[email protected]>

[FEATURE] pyOpenMS: FileFormats

git-svn-id: https://open-ms.svn.sourceforge.net/svnroot/open-ms/OpenMS@11301 6adb6e08-d915-0410-...

7adb09f5c0616c21ab39df8533aa66dd22d80664 authored over 11 years ago by Hannes Roest <[email protected]>

[FEATURE] pyOpenMS: IMS 2nd

git-svn-id: https://open-ms.svn.sourceforge.net/svnroot/open-ms/OpenMS@11300 6adb6e08-d915-0410-...

3f445b38ac0742a6ac3eb81f98193a3dadd206fb authored over 11 years ago by Hannes Roest <[email protected]>

[FEATURE] pyOpenMS: add IMS

git-svn-id: https://open-ms.svn.sourceforge.net/svnroot/open-ms/OpenMS@11299 6adb6e08-d915-0410-...

fa787b89c979ed73d70f73407ccfaf52a4b5c002 authored over 11 years ago by Hannes Roest <[email protected]>

[FEATURE] pyOpenMS: add SILAC

git-svn-id: https://open-ms.svn.sourceforge.net/svnroot/open-ms/OpenMS@11298 6adb6e08-d915-0410-...

f5531c92e5f62d82aa369863cd7348eca0a86ba2 authored over 11 years ago by Hannes Roest <[email protected]>

[FEATURE] filter MS2 spectra by consensus map feature overlap

git-svn-id: https://open-ms.svn.sourceforge.net/svnroot/open-ms/OpenMS@11297 6adb6e08-d915-0410-...

dc180b0a8c6f510f8dd73ba572d54ea4a7b970a6 authored over 11 years ago by Timo Sachsenberg <[email protected]>

[FIX] minor fixes in generated mzML files

git-svn-id: https://open-ms.svn.sourceforge.net/svnroot/open-ms/OpenMS@11296 6adb6e08-d915-0410-...

94030492ee26f16552ea0ff705f43868adcfa45e authored over 11 years ago by Stephan Aiche <[email protected]>

[FIX] Added missing HMDB data files for AccurateMassSearch util.

git-svn-id: https://open-ms.svn.sourceforge.net/svnroot/open-ms/OpenMS@11295 6adb6e08-d915-0410-...

fdefb8ee655e8ba23239554f1a5847e1f3f1e14d authored over 11 years ago by Erhan Kenar <[email protected]>

[FEATURE] Added AccurateMassSearch util.

git-svn-id: https://open-ms.svn.sourceforge.net/svnroot/open-ms/OpenMS@11294 6adb6e08-d915-0410-...

3b414a118009d7217acd4b0db4c91e038361d966 authored over 11 years ago by Erhan Kenar <[email protected]>

[FIX] cleanup/speedup (~5%)

git-svn-id: https://open-ms.svn.sourceforge.net/svnroot/open-ms/OpenMS@11293 6adb6e08-d915-0410-...

a6a9daca29b956620657b17ea2fc20f445fd5309 authored over 11 years ago by Chris Bielow <[email protected]>

[BUILD] configured pyopenms for pypi upload

git-svn-id: https://open-ms.svn.sourceforge.net/svnroot/open-ms/OpenMS@11292 6adb6e08-d915-0410-...

749b4d14d9efb9d97ab8e787a30ef48d6235dfc2 authored over 11 years ago by Uwe Schmitt <[email protected]>

[BUILD] fix checker script

- search for doxygen xmls in bin_dir
- raise error if no doxygen files are found
- correctly joi...

ece2228e06ec4f4e045d46bdd5ee87d303c001a5 authored over 11 years ago by Hannes Roest <[email protected]>

[DOC,FIX-#537] fix invalid doxygen output

Doxygen would produce an invalid xml which subsequently could not be
parsed by downstream tools....

4652dd7bcd5852a3e3b115390e7ae899b1a424a7 authored over 11 years ago by Hannes Roest <[email protected]>

[FIX] amend r11288

- forgot to change the test as well

git-svn-id: https://open-ms.svn.sourceforge.net/svnroot/ope...

8c8de6d3516d12f8fa4f3ab3984ccd58f0cb4bd2 authored over 11 years ago by Hannes Roest <[email protected]>

[FIX] allow to specify the mass shift of precursors when creating decoys

git-svn-id: https://open-ms.svn.sourceforge.net/svnroot/open-ms/OpenMS@11288 6adb6e08-d915-0410-...

be4675e9b35da6f8e94c44b92b54668d2eb4d58d authored over 11 years ago by Hannes Roest <[email protected]>

[FIX,TEST] addendum to [11282], fixed xsi:nil="true" in FileConverter test dataset

git-svn-id: https://open-ms.svn.sourceforge.net/svnroot/open-ms/OpenMS@11287 6adb6e08-d915-0410-...

3356a19e90b429c853d6b9a990fb3272fd09e42e authored over 11 years ago by Stephan Aiche <[email protected]>