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

[FIX] MRMRTNormalizer: check whether input makes sense

git-svn-id: https://open-ms.svn.sourceforge.net/svnroot/open-ms/OpenMS@11865 6adb6e08-d915-0410-...

41bcc472745935a5b0337760383ceba828a49a46 authored about 11 years ago by Hannes Roest <[email protected]>

[DOC] improve documentation for different options

git-svn-id: https://open-ms.svn.sourceforge.net/svnroot/open-ms/OpenMS@11864 6adb6e08-d915-0410-...

8c5ba70fd95e976302c9ac1d35529c075dd206d3 authored about 11 years ago by Hannes Roest <[email protected]>

[FIX] Consumers: make functions virtual

git-svn-id: https://open-ms.svn.sourceforge.net/svnroot/open-ms/OpenMS@11863 6adb6e08-d915-0410-...

b8ff7ca1cb2a164ac537ab1816e4caaa3bc91f70 authored about 11 years ago by Hannes Roest <[email protected]>

[FEATURE] Consumers: add NOOP consumer (does nothing)

git-svn-id: https://open-ms.svn.sourceforge.net/svnroot/open-ms/OpenMS@11862 6adb6e08-d915-0410-...

87bd9e9b0537537bf79e33e3d56ec148c3e6a729 authored about 11 years ago by Hannes Roest <[email protected]>

[FIX] count is an integer

git-svn-id: https://open-ms.svn.sourceforge.net/svnroot/open-ms/OpenMS@11861 6adb6e08-d915-0410-...

ba16ec99a94a7203adc26b4533078f608d5bdf1d authored about 11 years ago by Hannes Roest <[email protected]>

[FIX] performance fix if S/N is set to zero

- do not compute SignalToNoise if it is set to zero

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

d2d28e7e81a4dc435e5d7b1604807d4ef9655c8a authored about 11 years ago by Hannes Roest <[email protected]>

[API,IOFORMAT] allow to control whether to use DIA scores

git-svn-id: https://open-ms.svn.sourceforge.net/svnroot/open-ms/OpenMS@11859 6adb6e08-d915-0410-...

a5d2eb9d6fef20e52e01c1e6c42fb7808d7a15e1 authored about 11 years ago by Hannes Roest <[email protected]>

[INTERNAL] add assertions and pre/post conditions to the code

git-svn-id: https://open-ms.svn.sourceforge.net/svnroot/open-ms/OpenMS@11858 6adb6e08-d915-0410-...

a65e90f8e0a8618ef7400bf1d7a17ebe129c3b51 authored about 11 years ago by Hannes Roest <[email protected]>

[FEATURE] directly read TSV to LightTargetedExperiment

- can now read a TSV file and directly output a LightTargetedExperiment
(without the need to f...

b70c8331580c284828afdcc32ee0848a03bcbd05 authored about 11 years ago by Hannes Roest <[email protected]>

[INTERNAL] refactor method in DataAccessHelper

- extract convertTargetedPeptide method to convert a single peptide

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

e82b1acf2c0be4e2cc203621e945aca59ec1b100 authored about 11 years ago by Hannes Roest <[email protected]>

[FEATURE] add decoy member to light transition experiment

- store whether a transition is target or decoy

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

fdcf1d55ac7fe2ad55308b74db5c989c5c0a56cd authored about 11 years ago by Hannes Roest <[email protected]>

[FIX] bugfix, extra space

git-svn-id: https://open-ms.svn.sourceforge.net/svnroot/open-ms/OpenMS@11854 6adb6e08-d915-0410-...

03d7de29f2460407bb671683cf40039a5527af1d authored about 11 years ago by Hannes Roest <[email protected]>

[FIX] TOPPDocumenter now checks for tools presence before executing them (better error message)

git-svn-id: https://open-ms.svn.sourceforge.net/svnroot/open-ms/OpenMS@11853 6adb6e08-d915-0410-...

e1762c5e6ee8e098d5a7e55e2ab92d5a66d26003 authored about 11 years ago by Chris Bielow <[email protected]>

[FIX] removed non-existing PP-Rapid from ToolHandler - to avoid crashing TOPPDocumenter

git-svn-id: https://open-ms.svn.sourceforge.net/svnroot/open-ms/OpenMS@11852 6adb6e08-d915-0410-...

11db83cbf672af5efcfa5857d530eea9f028a6fe authored about 11 years ago by Chris Bielow <[email protected]>

[FIX] attempt to fix compile error on older Visual Studio versions (untested)

git-svn-id: https://open-ms.svn.sourceforge.net/svnroot/open-ms/OpenMS@11851 6adb6e08-d915-0410-...

b15910087838af0b46b625e5927b68a28a1f9273 authored about 11 years ago by Hendrik Weisser <[email protected]>

[FIX,TEST] hopefully fixed 'IDRipper_3' tests (thanks to Hannes for the notice)

git-svn-id: https://open-ms.svn.sourceforge.net/svnroot/open-ms/OpenMS@11850 6adb6e08-d915-0410-...

749e81145e89567b161b4dcea5c466bc9374ddd1 authored about 11 years ago by Hendrik Weisser <[email protected]>

[FEATURE] add two more output columns to EICExtractor (theoretical RT and m/z)

git-svn-id: https://open-ms.svn.sourceforge.net/svnroot/open-ms/OpenMS@11849 6adb6e08-d915-0410-...

1306fde1ca6149e74b8dc339ce846b70e6c1c5ee authored about 11 years ago by Chris Bielow <[email protected]>

[FIX] remove unnecessary headers from MSNumpress

- stdint.h is not available with MSVS2008 and apparently not necessary
in the code. None of th...

77125169a39f5f7da0e0633f13af3916c0465f0a authored about 11 years ago by Hannes Roest <[email protected]>

[FEATURE] improving capabilities of EICExtractor (autoRT, add meta information)

git-svn-id: https://open-ms.svn.sourceforge.net/svnroot/open-ms/OpenMS@11847 6adb6e08-d915-0410-...

791043c3631560fce39b718eee235eae1cdcd9d8 authored about 11 years ago by Chris Bielow <[email protected]>

[FIX, FEATURE]

* cleanup of projection drawing in TOPPAS
* allow projections to show absolute or relative inte...

cfdadd4ad8795200bd4a5ad6eb0d2fdda029f04c authored about 11 years ago by Chris Bielow <[email protected]>

[FEATURE] directory support for GenericWrapper (via a file within this directory)

git-svn-id: https://open-ms.svn.sourceforge.net/svnroot/open-ms/OpenMS@11845 6adb6e08-d915-0410-...

00f91675cbcdf69a2a6fc5da3f2c45431ef46de8 authored about 11 years ago by Chris Bielow <[email protected]>

[FIX,BUILD,NOP] fixed some cmake 2.8.12 warnings

git-svn-id: https://open-ms.svn.sourceforge.net/svnroot/open-ms/OpenMS@11844 6adb6e08-d915-0410-...

057ceacb0d3e80bdf6216a28078e1fa5183b7d37 authored about 11 years ago by Stephan Aiche <[email protected]>

[FIX] fixed std::pow ambiguity error in MSNumpressCoder_test

git-svn-id: https://open-ms.svn.sourceforge.net/svnroot/open-ms/OpenMS@11843 6adb6e08-d915-0410-...

c26a02df673e70a9a5cf295990394b72a2ba0f19 authored about 11 years ago by Stephan Aiche <[email protected]>

[FIX] * TOPPAS: allow number of input files to downstream nodes to be derived from collect-nodes

git-svn-id: https://open-ms.svn.sourceforge.net/svnroot/open-ms/OpenMS@11842 6adb6e08-d915-0410-...

557bec1a4d57369037ff790143147bb91cf07711 authored about 11 years ago by Chris Bielow <[email protected]>

[FIX] fixed windows compile errors introduced with MSNumpress

git-svn-id: https://open-ms.svn.sourceforge.net/svnroot/open-ms/OpenMS@11841 6adb6e08-d915-0410-...

b313bef132bae05b6df6785d3c9009dfa388d664 authored about 11 years ago by Stephan Aiche <[email protected]>

[FIX] fix bug in MSNumpress

Fix bug that appends a null byte to all strings converted to Base64

- Add option to encodeStrin...

e1cdb2a28be941f489c2a839b8bab572e6ff85ac authored about 11 years ago by Hannes Roest <[email protected]>

[INTERNAL] Refactor MzMLHandler

- change how BinaryDataArray is written (extract two functions)

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

589e3cc2e8d9a43678135156e29ae3b3873d8a89 authored about 11 years ago by Hannes Roest <[email protected]>

[INTERNAL] Refactor MzMLHandler

- create MzMLHandlerHelper class
- move getCompressionTerm_ and writeFooter_ to helper class

gi...

f167eccd45f444859fb50feadaafb0a0a934e525 authored about 11 years ago by Hannes Roest <[email protected]>

[TEST] add FileFilter test for numpress

- test for writing the m/z dimension using linear compression
- test for writing the intensity d...

aa213a23be9b4633abf3acd17e6790cf2afcb7f9 authored about 11 years ago by Hannes Roest <[email protected]>

[FEATURE] allow FileFilter to write files compressed with MS Numpress

- numpress behavior can be controlled with
peak_options:numpress:masstime
peak_options:n...

be32cea5c1ec66a889a0b473c73a20aa55a2f945 authored about 11 years ago by Hannes Roest <[email protected]>

[FEATURE] allow MzMLHandler to write numpress arrays

- try to write the arrays using MSNumpressCoder
- if it fails, use the regular functions to writ...

80eab35c266594dd5a122685cbf08514fc481c32 authored about 11 years ago by Hannes Roest <[email protected]>

[FEATURE] Extend PeakFileOptions to store MSNumpress config object

git-svn-id: https://open-ms.svn.sourceforge.net/svnroot/open-ms/OpenMS@11834 6adb6e08-d915-0410-...

6ef30fc8651b8d8dd447d964db5be62f1d0b94e9 authored about 11 years ago by Hannes Roest <[email protected]>

[FEATURE] allow mzMLHandler to read numpress arrays

- add the decompression of float arrays using the MSNumpressCoder
- additionally parse the CV te...

505c774c0302ac37a3d3036b34f1de62310c69e9 authored about 11 years ago by Hannes Roest <[email protected]>

[FEATURE] add MS Numpress class with test to OpenMS

- add MSNumpress from https://github.com/fickludd/ms-numpress to
MATH/MISC (unmodified except ...

b61293ab7c1169989f2f231efd95c1dcf454725a authored about 11 years ago by Hannes Roest <[email protected]>

[FIX] typo

- Crawdad, not Crowdad

git-svn-id: https://open-ms.svn.sourceforge.net/svnroot/open-ms/OpenMS@1...

b16cb40346534e00b290ea5db5c3a3f54b30efca authored about 11 years ago by Hannes Roest <[email protected]>

[FIX,TEST] fixed 'IDRipper_3' tests (partly broken in r11820, partly useless before), thanks to Stephan for the notice

git-svn-id: https://open-ms.svn.sourceforge.net/svnroot/open-ms/OpenMS@11830 6adb6e08-d915-0410-...

85c61adb4f6d413bdd6089302bee5a88498c0fa1 authored about 11 years ago by Hendrik Weisser <[email protected]>

[FEATURE,PARAM] added option to adapt RT window based on presence of IDs

git-svn-id: https://open-ms.svn.sourceforge.net/svnroot/open-ms/OpenMS@11827 6adb6e08-d915-0410-...

e5f5b7514c333dffadc139182d94ca76c32a0904 authored about 11 years ago by Hendrik Weisser <[email protected]>

[FEATURE,API] allow extraction of asymmetrical and individual RT windows for ChromatogramExtractor

- instead of passing only a target RT and an extraction_window (for all
chromatograms), now fo...

6d5d03f80afc185842ce905ace87d30804d4bbd2 authored about 11 years ago by Hannes Roest <[email protected]>

[NOP] coding style fixes

git-svn-id: https://open-ms.svn.sourceforge.net/svnroot/open-ms/OpenMS@11824 6adb6e08-d915-0410-...

ddb74efa77edc67929e0f46010e02497a0974a22 authored about 11 years ago by Hannes Roest <[email protected]>

qcml:cv ID is now capitalized like in XML schema

git-svn-id: https://open-ms.svn.sourceforge.net/svnroot/open-ms/OpenMS@11823 6adb6e08-d915-0410-...

5aed83d8e27444e1a502a52a910797ebe938fefc authored about 11 years ago by Pieter Kelchtermans <[email protected]>

qcml:changed xslt code uglily to make output look good

git-svn-id: https://open-ms.svn.sourceforge.net/svnroot/open-ms/OpenMS@11822 6adb6e08-d915-0410-...

25b26e921d3427037d08382a0788d22cd717fdc9 authored about 11 years ago by Pieter Kelchtermans <[email protected]>

qcml:changed xslt schema to work with previous changes

git-svn-id: https://open-ms.svn.sourceforge.net/svnroot/open-ms/OpenMS@11821 6adb6e08-d915-0410-...

283b0b5a1703e84b7682715e6fe65fb9460e6851 authored about 11 years ago by Pieter Kelchtermans <[email protected]>

[FEATURE,IO,TEST,DOC] added option to merge only new IDs into an existing file

git-svn-id: https://open-ms.svn.sourceforge.net/svnroot/open-ms/OpenMS@11820 6adb6e08-d915-0410-...

d9914ef93c347116c21042e0c92034d487321ed3 authored about 11 years ago by Hendrik Weisser <[email protected]>

[BUILD] enabled explicit single value constructor test

git-svn-id: https://open-ms.svn.sourceforge.net/svnroot/open-ms/OpenMS@11819 6adb6e08-d915-0410-...

57c5a5414f9e7a6efdfea61a51757161ded3f63f authored about 11 years ago by Timo Sachsenberg <[email protected]>

[NOP] style fixes

git-svn-id: https://open-ms.svn.sourceforge.net/svnroot/open-ms/OpenMS@11818 6adb6e08-d915-0410-...

8a4150dcd401da0d3bcd8b5bd684e64537d6d586 authored about 11 years ago by Timo Sachsenberg <[email protected]>

[NOP] prevent implicit and costly conversions by making AASequence(String) etc. explicit

git-svn-id: https://open-ms.svn.sourceforge.net/svnroot/open-ms/OpenMS@11817 6adb6e08-d915-0410-...

2a91909af069899416680c8f92a8bed0bb6981d2 authored about 11 years ago by Timo Sachsenberg <[email protected]>

[NOP] explicite use of costly AASequence constructor in tests (preparation for some refactoring)

git-svn-id: https://open-ms.svn.sourceforge.net/svnroot/open-ms/OpenMS@11816 6adb6e08-d915-0410-...

1fb895bddb1781cb1317658f87816e4051f4f381 authored about 11 years ago by Timo Sachsenberg <[email protected]>

doc:small fix in formatting

git-svn-id: https://open-ms.svn.sourceforge.net/svnroot/open-ms/OpenMS@11815 6adb6e08-d915-0410-...

6fbf6e0c891296e29377165682f3a2bbeeceb4b1 authored about 11 years ago by Pieter Kelchtermans <[email protected]>

doc:closed tag

git-svn-id: https://open-ms.svn.sourceforge.net/svnroot/open-ms/OpenMS@11814 6adb6e08-d915-0410-...

eb649b10e12487519012fbe80496e8f091a4325f authored about 11 years ago by Pieter Kelchtermans <[email protected]>

doc:changed some of the layout

git-svn-id: https://open-ms.svn.sourceforge.net/svnroot/open-ms/OpenMS@11813 6adb6e08-d915-0410-...

b433dd5b114ee59f731e0df8e251f9b326602113 authored about 11 years ago by Pieter Kelchtermans <[email protected]>

[DOC] improve documentation

git-svn-id: https://open-ms.svn.sourceforge.net/svnroot/open-ms/OpenMS@11812 6adb6e08-d915-0410-...

b16bd8d905197b69a5b145555b703a9d988a03ec authored about 11 years ago by Hannes Roest <[email protected]>

[FEATURE] add a clear_meta_data option to PeakPickerIterative

- save space by not writing data about peak width

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

41fbbdf933f6a9540ae35d0830312c20801d969a authored about 11 years ago by Hannes Roest <[email protected]>

[IO] Step 2: unify interface: give full window in RT and m/z

git-svn-id: https://open-ms.svn.sourceforge.net/svnroot/open-ms/OpenMS@11810 6adb6e08-d915-0410-...

7dacbfb2c9e8449e5881b970c8d77151ceffe1da authored about 11 years ago by Hannes Roest <[email protected]>

[API] Step 1: replace RT half window with full window

git-svn-id: https://open-ms.svn.sourceforge.net/svnroot/open-ms/OpenMS@11809 6adb6e08-d915-0410-...

d3018e085805403ffb5f5250072a1e202073055f authored about 11 years ago by Hannes Roest <[email protected]>

[INTERNAL] ChromatogramExtractor Refactoring

- Add a new implementation of the ChromatogramExtractor using a more
generalized interface (pr...

d60db44c2e6512dc7fef6b33f51c0544f47d019b authored about 11 years ago by Hannes Roest <[email protected]>

Thouroughly cleaned up Linux installation instructions

git-svn-id: https://open-ms.svn.sourceforge.net/svnroot/open-ms/OpenMS@11807 6adb6e08-d915-0410-...

3af139bfbaa5cda3753ed7f04cb6ea85e61e7cc0 authored about 11 years ago by Pieter Kelchtermans <[email protected]>

[FIX,TEST] fix pyOpenMS test: getString -> toString

- fix after r11777 renaming of getString -> toString

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

527a054a75afe897ef7758a4bf07ddcf98b3586f authored about 11 years ago by Hannes Roest <[email protected]>

[FIX] fixed segfaults caused by accessing missing data

- finish r11795, fix segfaults now also in MRMFeatureFinderScoring.h

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

a16e875f65edc1b75875bfea47cc3fe8b8fcfc5c authored about 11 years ago by Hannes Roest <[email protected]>

[FIX] handle edge cases in determining reference RTs

git-svn-id: https://open-ms.svn.sourceforge.net/svnroot/open-ms/OpenMS@11804 6adb6e08-d915-0410-...

2507c43911a18eab2d3d6423830c100755c99f46 authored about 11 years ago by Hendrik Weisser <[email protected]>

qcML:added additional table tag around table structure

git-svn-id: https://open-ms.svn.sourceforge.net/svnroot/open-ms/OpenMS@11803 6adb6e08-d915-0410-...

07290b2a8295fa95fe7e2cf5561dedd852b323bb authored about 11 years ago by Pieter Kelchtermans <[email protected]>

changed mzQualML to qcML everywhere, changed capitalization of tags in the format, also added the corresponding (current) schema version to the SCHEMAS directory

git-svn-id: https://open-ms.svn.sourceforge.net/svnroot/open-ms/OpenMS@11802 6adb6e08-d915-0410-...

3cfc57ad1788e7ab2bd6dd9862818b2855234c3f authored about 11 years ago by Pieter Kelchtermans <[email protected]>

[FEATURE,PARAM] added options to select reference RT for peptides, plus minor changes

git-svn-id: https://open-ms.svn.sourceforge.net/svnroot/open-ms/OpenMS@11801 6adb6e08-d915-0410-...

43412ae5e5209b6786b69f5d8ab73e4495f41fc7 authored about 11 years ago by Hendrik Weisser <[email protected]>

added namespace to generated qcML files

git-svn-id: https://open-ms.svn.sourceforge.net/svnroot/open-ms/OpenMS@11800 6adb6e08-d915-0410-...

75da7c3e0cdb1677ffa1e9945e1506c617ad5a70 authored about 11 years ago by Pieter Kelchtermans <[email protected]>

[FIX] fix for VS9 build problem with RNPxlModGenerator

git-svn-id: https://open-ms.svn.sourceforge.net/svnroot/open-ms/OpenMS@11799 6adb6e08-d915-0410-...

f5b0c751c642e5304b39bb9731e73cb990d900ad authored about 11 years ago by Stephan Aiche <[email protected]>

[FEATURE] new TOPP tool for feature detection based on peptide IDs and OpenSwath algorithms (still experimental)

git-svn-id: https://open-ms.svn.sourceforge.net/svnroot/open-ms/OpenMS@11798 6adb6e08-d915-0410-...

a0621e68489d52dc4106eedace3f612c523f6dba authored about 11 years ago by Hendrik Weisser <[email protected]>

[FEATURE,PARAM,TEST] added functionality for filtering peptide IDs by precursor RT and m/z

git-svn-id: https://open-ms.svn.sourceforge.net/svnroot/open-ms/OpenMS@11797 6adb6e08-d915-0410-...

95d351f0cdf70a49d5247f68413a50e03db22adf authored about 11 years ago by Hendrik Weisser <[email protected]>

[FIX] avoid unnecessary copies in 'pickExperiment(MSExperiment...)', some small improvements

git-svn-id: https://open-ms.svn.sourceforge.net/svnroot/open-ms/OpenMS@11796 6adb6e08-d915-0410-...

292b90d6051e0332d4b8cb79327dde1b9ee1f5aa authored about 11 years ago by Hendrik Weisser <[email protected]>

[FIX] fixed segfaults caused by accessing missing data

git-svn-id: https://open-ms.svn.sourceforge.net/svnroot/open-ms/OpenMS@11795 6adb6e08-d915-0410-...

74e4cf61dfb01cd03a220d8b67442e2a6f6de4b3 authored about 11 years ago by Hendrik Weisser <[email protected]>

[PARAM] switched meaning of intensity normalization flag and added a parameter limiting the number of precursors per feature

git-svn-id: https://open-ms.svn.sourceforge.net/svnroot/open-ms/OpenMS@11794 6adb6e08-d915-0410-...

958d898bf38d2bb47ee988d44f64821d0d3bcabe authored about 11 years ago by Alexandra Zerck <[email protected]>

[FIX] fixed error message for invalid range parameters

git-svn-id: https://open-ms.svn.sourceforge.net/svnroot/open-ms/OpenMS@11793 6adb6e08-d915-0410-...

cf152b5bc494880c0f0ddef3aa785d440b0cf2d7 authored about 11 years ago by Hendrik Weisser <[email protected]>

[FIX] fixed clang compile error

git-svn-id: https://open-ms.svn.sourceforge.net/svnroot/open-ms/OpenMS@11792 6adb6e08-d915-0410-...

26fc0b521584635c885c60cacf61f38a78e42f99 authored about 11 years ago by Hendrik Weisser <[email protected]>

[FIX] map.at() replaced

git-svn-id: https://open-ms.svn.sourceforge.net/svnroot/open-ms/OpenMS@11791 6adb6e08-d915-0410-...

234ef2b1210a54c6db70e55eedcf855babd1a697 authored about 11 years ago by Timo Sachsenberg <[email protected]>

[DOC,FIX] fixed typos/improved parameter documentation

git-svn-id: https://open-ms.svn.sourceforge.net/svnroot/open-ms/OpenMS@11790 6adb6e08-d915-0410-...

47a68d2e5a7c770c2e9855ded65f7aca96b3dbb1 authored about 11 years ago by Hendrik Weisser <[email protected]>

[FIX] next attempt to fix dll export on windows

git-svn-id: https://open-ms.svn.sourceforge.net/svnroot/open-ms/OpenMS@11789 6adb6e08-d915-0410-...

549b6a0bc8420c4847f4fe01c31bbd29ea8afcd2 authored about 11 years ago by Timo Sachsenberg <[email protected]>

[FIX] next attempt to fix dll export on windows

git-svn-id: https://open-ms.svn.sourceforge.net/svnroot/open-ms/OpenMS@11788 6adb6e08-d915-0410-...

ca4f2375a6e42b12941bccb51e116ef11398e507 authored about 11 years ago by Timo Sachsenberg <[email protected]>

[VISUAL,FIX] fix segfault when opening certain mzML files

- Fix segfault in SpectraViewWidget: when storing a chromatogram in
TOPPView and re-opening it...

d7f1d7531b0892d802ada368d96f8f497071ad72 authored about 11 years ago by Hannes Roest <[email protected]>

[FIX] removed PeakPickerRapid again

git-svn-id: https://open-ms.svn.sourceforge.net/svnroot/open-ms/OpenMS@11786 6adb6e08-d915-0410...

571e27deb6f3d9cbd0b2bc92fd337174a992b090 authored about 11 years ago by Timo Sachsenberg <[email protected]>

[FIX] VS9 compilation error

git-svn-id: https://open-ms.svn.sourceforge.net/svnroot/open-ms/OpenMS@11785 6adb6e08-d915-0410-...

85769830cb471f8874f5879b898de1e745b6f08b authored about 11 years ago by Timo Sachsenberg <[email protected]>

[NOP] fixed cpplint errors; mostly formating

git-svn-id: https://open-ms.svn.sourceforge.net/svnroot/open-ms/OpenMS@11784 6adb6e08-d915-0410-...

56fc12994af65d2ba66a4bd1d4f9dc2310570de2 authored about 11 years ago by Stephan Aiche <[email protected]>

[FIX] fix on windows

git-svn-id: https://open-ms.svn.sourceforge.net/svnroot/open-ms/OpenMS@11783 6adb6e08-d915-0410...

b0444c5066d88b4dfc914ab09723205489977589 authored about 11 years ago by Timo Sachsenberg <[email protected]>

[FIX] correct number of indices in test file

git-svn-id: https://open-ms.svn.sourceforge.net/svnroot/open-ms/OpenMS@11782 6adb6e08-d915-0410-...

d8dd58085abb29b8e95959a5920f83d1c28dcdec authored about 11 years ago by Hannes Roest <[email protected]>

[FIX] fixing mzml file tests, according to standard binaryDataArray does not seem to have a default data processing

git-svn-id: https://open-ms.svn.sourceforge.net/svnroot/open-ms/OpenMS@11781 6adb6e08-d915-0410-...

e21d7e1766d593fcf5868609269c225cfa88e23d authored about 11 years ago by Stephan Aiche <[email protected]>

[TEST] extended test to check already occupied modification sites in modified peptide generator

git-svn-id: https://open-ms.svn.sourceforge.net/svnroot/open-ms/OpenMS@11780 6adb6e08-d915-0410-...

e5db4316cf3ad2fc90c0fc162d0d0b641ae6b6db authored about 11 years ago by Timo Sachsenberg <[email protected]>

[FEATURE] added optimized implementation if only max one new modification is placed and no combinatorics are involved

git-svn-id: https://open-ms.svn.sourceforge.net/svnroot/open-ms/OpenMS@11779 6adb6e08-d915-0410-...

358034a19ac14eaa172df47ec5475e53409f356f authored about 11 years ago by Timo Sachsenberg <[email protected]>

[FEATURE] added generator for modified peptides

git-svn-id: https://open-ms.svn.sourceforge.net/svnroot/open-ms/OpenMS@11778 6adb6e08-d915-0410-...

434da01841e9a6463b0aa3b61a90bd3e0004a5e2 authored about 11 years ago by Timo Sachsenberg <[email protected]>

[API] renamed 'EmpiricalFormula::getString' to 'toString' for consistency with other classes and pyOpenMS support

git-svn-id: https://open-ms.svn.sourceforge.net/svnroot/open-ms/OpenMS@11777 6adb6e08-d915-0410-...

10d5c1e4d7c3cd63fe82e34c6b571610816039f1 authored about 11 years ago by Hendrik Weisser <[email protected]>

[FIX] fixed typo in pyTOPP/FileConverter.py + little cleanup

git-svn-id: https://open-ms.svn.sourceforge.net/svnroot/open-ms/OpenMS@11776 6adb6e08-d915-0410-...

2ae8eff3d173d638a8b3272dffd887c04e69e74c authored about 11 years ago by Uwe Schmitt <[email protected]>

[FIX] added missing tools to ToolHandler (LowMem*, MRMTransitionGroupPicker)

git-svn-id: https://open-ms.svn.sourceforge.net/svnroot/open-ms/OpenMS@11775 6adb6e08-d915-0410-...

d3eb14d7b7dd19778c961c455950386c5fb24aeb authored about 11 years ago by Stephan Aiche <[email protected]>

[FIX] fixed failing INIUpdater tests; introduced in [11762]

git-svn-id: https://open-ms.svn.sourceforge.net/svnroot/open-ms/OpenMS@11774 6adb6e08-d915-0410-...

2137d8571db68dcd59e2d6ac0f62ccede627f791 authored about 11 years ago by Stephan Aiche <[email protected]>

[BUILD] bugfix in build file: AUTOWRAP_VERSION_OK

git-svn-id: https://open-ms.svn.sourceforge.net/svnroot/open-ms/OpenMS@11773 6adb6e08-d915-0410-...

29d0fa8a60d59b2f531caf5090fafbc0db457be0 authored about 11 years ago by Hannes Roest <[email protected]>

[NOP] minor refactoring of RNPxl.

git-svn-id: https://open-ms.svn.sourceforge.net/svnroot/open-ms/OpenMS@11772 6adb6e08-d915-0410-...

7c49b90ea6d580e620ba0ebff9c8836577d5e417 authored about 11 years ago by Timo Sachsenberg <[email protected]>

[FEATURE] pyopenms: automatically create __str__ method from toString method

git-svn-id: https://open-ms.svn.sourceforge.net/svnroot/open-ms/OpenMS@11771 6adb6e08-d915-0410-...

c3f8ea8fd257ea9ce421e5e308113db6f997f0b4 authored about 11 years ago by Uwe Schmitt <[email protected]>

[FIX] forgot header

git-svn-id: https://open-ms.svn.sourceforge.net/svnroot/open-ms/OpenMS@11770 6adb6e08-d915-0410-...

f8a524cdc5df865f7b16ceafac605a50ede559f6 authored about 11 years ago by Timo Sachsenberg <[email protected]>

[FIX-#610] masstracedetection bug (code not used so far)

git-svn-id: https://open-ms.svn.sourceforge.net/svnroot/open-ms/OpenMS@11769 6adb6e08-d915-0410-...

6f6c0d86443507bf3ff8a21379cb471c54b4f28b authored about 11 years ago by Chris Bielow <[email protected]>

[FIX] fixed invalid mzquantml output of TMTAnalyzer

git-svn-id: https://open-ms.svn.sourceforge.net/svnroot/open-ms/OpenMS@11768 6adb6e08-d915-0410-...

9d1c8daebd1397770e774f3eaaad3491f5aa94de authored about 11 years ago by Stephan Aiche <[email protected]>

[FIX-#610] partially, some bugs are still under investigation

git-svn-id: https://open-ms.svn.sourceforge.net/svnroot/open-ms/OpenMS@11767 6adb6e08-d915-0410-...

0ce469d0ee54f70ee5848639f02537e5451ad44a authored about 11 years ago by Chris Bielow <[email protected]>

[FIX] added missing non const accessor for PeptideHits in PeptideIdentification

git-svn-id: https://open-ms.svn.sourceforge.net/svnroot/open-ms/OpenMS@11766 6adb6e08-d915-0410-...

c2b973b2ce699c7e178937561368823004591d00 authored about 11 years ago by Timo Sachsenberg <[email protected]>

[FIX] fixed feature writeout in mzquantml handler

git-svn-id: https://open-ms.svn.sourceforge.net/svnroot/open-ms/OpenMS@11765 6adb6e08-d915-0410-...

df1d74520d273b8bba62f94db71a9cf84e2368a0 authored about 11 years ago by Mathias Walzer <[email protected]>

[FEATURE] pyOpenMS: also wrap IsotopeDistribution get/set Container

git-svn-id: https://open-ms.svn.sourceforge.net/svnroot/open-ms/OpenMS@11764 6adb6e08-d915-0410-...

20bd1e96cee1c0785c810698e13baf7031c1b48b authored about 11 years ago by Hannes Roest <[email protected]>

[FIX] work-around for clang build error (due to bug 13657 in clang)

git-svn-id: https://open-ms.svn.sourceforge.net/svnroot/open-ms/OpenMS@11763 6adb6e08-d915-0410-...

ff9b1fefdc878bf2ad43d42637f124f7057d56aa authored about 11 years ago by Hendrik Weisser <[email protected]>