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

[PYOPENMS] cleanup of inheritance, MetaValue

894753a08e1bd107d70892fa299d490b61e66cb5 authored over 5 years ago by Hannes Roest <[email protected]>

move

bd24cc3edd7779dbe1b8285635646e7e021768b0 authored over 5 years ago by Hannes Roest <[email protected]>

Merge branch 'develop' into feature/pyopenms

19732ec5414a33820940d78a038e394be8dc45bf authored over 5 years ago by Hannes Roest <[email protected]>

doc

791befe1f63bb3c924b847305beb5fd6c8c568f4 authored over 5 years ago by Hannes Roest <[email protected]>

cleanup

e319d595c9715c76d98643dd191a2312712a5774 authored over 5 years ago by Hannes Roest <[email protected]>

fix

4f6ed3412cdf93940d60310fbb4406c6ad986fc1 authored over 5 years ago by Hannes Roest <[email protected]>

[FEATURE] base64 coding for 32 and 64 bit

22e5eb99a7de6bb25b8adeafcac591837dcac3d5 authored over 5 years ago by Hannes Roest <[email protected]>

Merge branch 'feature/metav' into feature/pyopenms

8ebce10f8ff475c5049fb17e1abd70d5e25e19f5 authored over 5 years ago by Hannes Roest <[email protected]>

[FIX] addons fix for str

abdf294882e5e7ab40c9b7dd41b58bc60b8e32eb authored over 5 years ago by Hannes Roest <[email protected]>

[FIX] default param

c4314ec0f0aa19fbe54a5db0dd5a71d613008ac2 authored over 5 years ago by Hannes Roest <[email protected]>

Merge pull request #4060 from enetz/feature/protein_terminal_mods

[Feature] CometAdapter search for Protein N- and C-term mods

8e280e5801dfa41401824a5f0581c4a0fac7687f authored over 5 years ago by Hannes Roest <[email protected]>

Merge pull request #4044 from enetz/fix/xquest_parse_fdr

[FIX] OPXL: some refactoring to remove broken meta values from parsed xquest.xml files

c4de4f2df2858d9f2b2bd8272f7ab765af1cce24 authored over 5 years ago by Hannes Roest <[email protected]>

Merge pull request #4048 from hroest/feature/test_move

Feature/test move

a10858fcbbbda6da9952e1ecc0b6961decd800d2 authored over 5 years ago by Hannes Roest <[email protected]>

[PYOPENMS] wrap RT predict fxn

8cfbc9f0de0cf454a95a0513ee2d1b8787a71c8b authored over 5 years ago by Hannes Roest <[email protected]>

[FIX] python3 fix

a11a686769ece26ecefa65ab46cf3905e6173102 authored over 5 years ago by Hannes Roest <[email protected]>

[FEATURE] convenience function to predict RT

c09327af3f7c1ead7384e0445a04db44eb6c6eba authored over 5 years ago by Hannes Roest <[email protected]>

[FIX] docu errors

220d094730f8b726839cad4c6bf58392e6b01b80 authored over 5 years ago by Hannes Roest <[email protected]>

Update TargetedExperimentHelper_test.cpp

4e3b7d5b73e616759483beb8004c6b37b275b252 authored over 5 years ago by Hannes Roest <[email protected]>

Merge pull request #4055 from Leon-Bichmann/add/OpenMS_Rscript

ropenms script

01ecda3b5406c543d36cf1a10d046e3eae274c0d authored over 5 years ago by Hannes Roest <[email protected]>

Merge pull request #4077 from lars20070/fix/FFMsingleSpectrum

fix area under the curve for single spectrum chromatograms

7e85c7901b3984008304bc51f18f4bd451b516ed authored over 5 years ago by Hannes Roest <[email protected]>

fix compile error gcc

520094be4f920a991e894d3f96a448b4f2fa46f9 authored over 5 years ago by Chris Bielow <[email protected]>

[INTERNAL] more efficient if-else branching

466eea946e98a71fc73ac6ca65e0070fd2da3df5 authored over 5 years ago by enetz <[email protected]>

Merge branch 'fix/FFMsingleSpectrum' of https://github.com/lars20070/OpenMS into fix/FFMsingleSpectrum

403fc9f793fb885fdc5f184cd0f0c60b37727194 authored over 5 years ago by lars20070 <[email protected]>

[TEST] fix remaining TOPP tests (new additional low-intensity features)

a7c0adaf2a90e45c22d3abeafebbb7d6a625f183 authored over 5 years ago by lars20070 <[email protected]>

NOP

18e9e9215a322a46fcd392f77f48029312a386b3 authored over 5 years ago by Hannes Roest <[email protected]>

Typos

4bf91748db9f16a0733190e6f3438caaa950f69b authored over 5 years ago by Julianus Pfeuffer <[email protected]>

fix TOPP test

cf6e18486089201ad9a192eadc6d46c612a2b0ba authored over 5 years ago by lars20070 <[email protected]>

fix single spectrum bug for profile case

354ea8498644ea7695418e072c702350b63e08d0 authored over 5 years ago by lars20070 <[email protected]>

parameter fixed

48dd8c454c4247e8ebd5c084df6dd132300fc46c authored over 5 years ago by kyowonjeong <[email protected]>

Merge branch 'develop' of https://github.com/cbielow/OpenMS into develop

730d584fd0a547a7717d7b8215073b7f45fcec5b authored over 5 years ago by swew98 <[email protected]>

merged from develop

cbce59b6079c67dda1b75e731aecfefec6cc6483 authored over 5 years ago by TomW <[email protected]>

Merge branch 'develop' of https://github.com/cbielow/OpenMS into develop

a9f29e613f4d93146082fc117152d60b976fd66a authored over 5 years ago by TomW <[email protected]>

test working

f1d9111bd4492d4cedbcef1dea3f563568fd43ff authored over 5 years ago by TomW <[email protected]>

in SpectrumSettings getDataProcessing now returns reference, MzCalibration doesn't requires MzML anymore, working on MzCalibration_test

c0832a13a58b4cc3aabd30963aaa66f2dc913d11 authored over 5 years ago by TomW <[email protected]>

Declaration doesnt match implement.

a854a4719e5934a8f0bcd7386b519915abfcd36e authored over 5 years ago by Julianus Pfeuffer <[email protected]>

[NOOP] cleanup of AScore_test

784d6ad018c1793b1e0cb0307dc2568893590f41 authored over 5 years ago by Chris Bielow <[email protected]>

[FEATURE] MatchedIterator done

be700c6bd5ad3550ac272a7bd7c5a22197647fff authored over 5 years ago by Chris Bielow <[email protected]>

Forgot noexcept

681fb5af83c257c673848a94ccf1dbd6c193b279 authored over 5 years ago by Julianus Pfeuffer <[email protected]>

More clang-tidy fixes

70deed06a0616c78f2047ffe1648878852db6569 authored over 5 years ago by Julianus Pfeuffer <[email protected]>

Merge pull request #58 from dominikschm/TOPPmetrik

[FEATURE] added TopNoverRT and RTAlignment into the QC Tool

bfd45a213c7f264d06019e133ac60720ce23abc1 authored over 5 years ago by Chris Bielow <[email protected]>

Merge branch 'develop' into TOPPmetrik

cd4080f0874380e46db534ea5bf7567aa68047e9 authored over 5 years ago by Chris Bielow <[email protected]>

Merge pull request #57 from pscheil/toppQC

fix compile error

dd79e3fe4e25c5e57327de9e0c5f226b73f52f88 authored over 5 years ago by Chris Bielow <[email protected]>

Update QualityControl.cpp

b5e912563a4bf1e0bf6afe9c045018002a644677 authored over 5 years ago by Chris Bielow <[email protected]>

added TopNoverRT and RTAlignment into the TOPPTool and moved some lines in the alphabetical order

db6dfceba0536a51aff87de7a0f48d11b1057d67 authored over 5 years ago by Dominik Sebastian Schmitz <[email protected]>

add ConsensusMap cmap

2eb008372525a1d40200d15080ce943b6bf8a9e8 authored over 5 years ago by Patricia Scheil <[email protected]>

Merge pull request #56 from pscheil/toppQualityControl

[FIX] UID bug

037f7a9fbaa35456125849e869de96355306dd95 authored over 5 years ago by Chris Bielow <[email protected]>

Update QualityControl.cpp

a9f4b79b01ccdce941e9f210e1d122a11ca69562 authored over 5 years ago by Chris Bielow <[email protected]>

Merge pull request #55 from dominikschm/TestFix

added empty lines and a space after 'if's and one 'for'

d695fda6421fb14edd6e6bdb8bba717f97adbc26 authored over 5 years ago by Chris Bielow <[email protected]>

move const

9171aa4086acc222f49bae00fea7968dbde7e2bb authored over 5 years ago by Patricia Scheil <[email protected]>

added empty lines and a space after four 'if' and one 'for'

d3355cf6110ef8edda2ed5dfcdf55bf57489d80b authored over 5 years ago by Dominik Sebastian Schmitz <[email protected]>

[FIX] fix unintended copy of loop variables (#4050)

* [FIX] fix unintended copy of loop variables

* [FIX] also fix tools and GUI

4cdb6323e62c2319c79515481e5498b4ebc939e5 authored over 5 years ago by Hannes Roest <[email protected]>

Clang-tidy fixed

8d792a0594d6ab26ad99d83492983fde6a32f926 authored over 5 years ago by Julianus Pfeuffer <[email protected]>

transpose FeatureMap and ConsensusMap to annotate calculated meta values from FeatureMap to given ConsensusMap

b4f7a6d74d16691fc2b29609bca6614a0dde434c authored over 5 years ago by Patricia Scheil <[email protected]>

Merge pull request #4074 from jpfeuffer/feat/rpmPackage

[FEATURE] Update rpm package.

9f5224fb5307d4f1670a3af6f71e2943bf2b218c authored over 5 years ago by jpfeuffer <[email protected]>

mergeconflict

f570b923581858c0d500f075ed114a71db0a7568 authored over 5 years ago by swew98 <[email protected]>

WindowMower

33266738936c50ac58114a20ca8aaaf155344bb0 authored over 5 years ago by swew98 <[email protected]>

Merge pull request #52 from pscheil/fragmentMassError

[FEATURE] QC Metric: Fragment mass error

a0e9c5539f01da93ce6468764c3e39e0a77c3af2 authored over 5 years ago by Chris Bielow <[email protected]>

mergeconflict

0d0e30ef8c28750474a5545bd4e5df3e497a0a02 authored over 5 years ago by Patricia Scheil <[email protected]>

rearanged test, helpfunctions in test, shifted round in windowmower

b9d716987969c5029c549d6711a3760f69831772 authored over 5 years ago by Patricia Scheil <[email protected]>

[FEATURE] Update rpm package.

b76e85becce9cbf37dd77fdd8c786652651a75ee authored over 5 years ago by jpfeuffer <[email protected]>

Merge pull request #54 from Waschi97/TopNoverRt

[FEATURE] Metric: TopN over RT

1416ae7f8ca6d3fffdb511d5977bcedbd38c7488 authored over 5 years ago by Chris Bielow <[email protected]>

Update TopNoverRT.cpp

f7113680db1a435c2c5a7af2073213405312f266 authored over 5 years ago by Chris Bielow <[email protected]>

PR changes

cf2da41423e93243e09cfe442d6726bacca5fecd authored over 5 years ago by TomW <[email protected]>

docu, using QCBase function 'iterateFeatureMap', new struct for understandable data saving

5dc6297e72028549f13cf5593c2babc7c18ad31b authored over 5 years ago by TomW <[email protected]>

Merge remote-tracking branch 'JeeH-K/feature/TDdeconv' into feature/TDdeconv

b9b64a8683e9999b656b558021c976d3ce9c7b94 authored over 5 years ago by kyowonjeong <[email protected]>

parameter fixed

213229862eb86d3e1b6b38fb4d9d4740e2886e59 authored over 5 years ago by kyowonjeong <[email protected]>

Changed data structure for proteoforms to map instead of tree.

Fixed bugs on struct memory leak

aa93ca84f0566dab816433fa12ed71017cad8b62 authored over 5 years ago by JeeK <[email protected]>

first version

3f7435d90eab63d0bfd668914f8475f45c25d960 authored over 5 years ago by Chris Bielow <[email protected]>

Merge branch 'feature/TDdeconv' of https://github.com/JeeH-K/OpenMS into feature/TDdeconv

82234928f3835b7a8a476923002b12755a9c9dd0 authored over 5 years ago by JeeK <[email protected]>

Feature/ams used charge adducts (#4029)

* updated testfiles for changed stored precisions

* added adduct info to test input

* upda...

968846f85f5d0c7b76574cac579bb38c1d6104fb authored over 5 years ago by FabianAicheler <[email protected]>

parameter fixed

7dc498e85bfa39736b6c14d31fc4cba9280f4ba2 authored over 5 years ago by kyowonjeong <[email protected]>

parameter fixed

5b88f3b0c65d0fc2615f775e88cc9e37b81e09a0 authored over 5 years ago by kyowonjeong <[email protected]>

should be ready to pull

5392086fb51db81eef2686c11d2f9298a0013dfb authored over 5 years ago by TomW <[email protected]>

Merge branch 'RtAlignment' into TopNoverRt

0418241dacfcbd3ce0a759346115692f9a84db17 authored over 5 years ago by TomW <[email protected]>

[BUILD] use static linking for MSVC

- requires DF5_USE_STATIC_LIBRARIES *before* finding HDF5 libraries
- means that H5_BUILT_AS_DYN...

cc69660c8d2e379135df078553de3a7f84dc611a authored over 5 years ago by Hannes Roest <[email protected]>

[BUILD] use dynamic library for Windows?

72ca1236956bfe9b90e3a5eab5557cfac788ba85 authored over 5 years ago by Hannes Roest <[email protected]>

[BUILD] ensure linking to libdl

33ec9e10145e88d6730d40afbf7fd72e994633d2 authored over 5 years ago by Hannes Roest <[email protected]>

mzTab charge to int (#4067)

* mzTab charge to int

* [FIX] MzTabDouble -> MzTabInteger (charge)

2ef9b5ff1dd13f0ee5dfa486b6ba3a7efa0aa2f1 authored over 5 years ago by Timo Sachsenberg <[email protected]>

Update NSIS.template.in

db5d63390c0f5a8ad3cc0624b644fb3ed8e5b9f6 authored over 5 years ago by jpfeuffer <[email protected]>

Allow error code 1639 for redist installers

Signals newer version already installed.

1a3c2e1d408641a95a74369e2592ac4296ec1004 authored over 5 years ago by jpfeuffer <[email protected]>

[FEATURE] connector for HDF5

ea48b74c383e3dc2152fb510f547eccb0c963c22 authored over 5 years ago by Hannes Roest <[email protected]>

[CONTRIB] update contrib to hdf5

9158516a98ef47fdfcb6ac7c3e9501616922b747 authored over 5 years ago by Hannes Roest <[email protected]>

fix for travis

bde2bc2fd4c3fed67794f1c796a09e37ee545aaa authored over 5 years ago by Hannes Roest <[email protected]>

[BUILD] add HDF5

756e66de1d87c93215f9fa46c9441145b7a479cf authored over 5 years ago by Hannes Roest <[email protected]>

[TEST] add test

8de90a8ab8f3926ff3d94915996b370bcdec2edc authored over 5 years ago by Hannes Roest <[email protected]>

adjusted testfile for RNPxlSearch_4_out1 (regarding to changes in WindowMower.h), added fragment mass error in Da as metavalue to PeptideIdentification

bf803be3ecd0c41167e7e007eed0c853536bfa30 authored over 5 years ago by Patricia Scheil <[email protected]>

mergeconflict

f1acd8c43a15fa5d479d3f58c84bcfe2f61dc80c authored over 5 years ago by Patricia Scheil <[email protected]>

merge conflict

4272b8c3ed163154f30e73ce9b5a9e87ec2b7f97 authored over 5 years ago by Patricia Scheil <[email protected]>

bugfix in Windowmower, flag to enum

cf1759f93c72c8166ed5739d62b0275d7926b703 authored over 5 years ago by Patricia Scheil <[email protected]>

[ADD] AGM precursor intensity information (fragment annotation) (#4066)

* [ADD] precursor monoisotopic trace intensity for fragment annotated spectra

* [ADD] specifi...

7d243ab88865e428710aae4a2d180542bb1a5c35 authored over 5 years ago by Oliver Alka <[email protected]>

[FIX] SiriusAdapter mzTab adherence to standard (#4068)

* [FIX] MzTab

* [FIX] tests

f06614023a6d2fdc4c9b0b712ef88bb17b1a5443 authored over 5 years ago by Oliver Alka <[email protected]>

Update FragmentMassError.h

0ba004914305b0e0997003dc39fe322803d89886 authored over 5 years ago by Chris Bielow <[email protected]>

Merge branch 'develop' into fragmentMassError

d0dfb2199643a3db30a23412b29c9b50e93c22ac authored over 5 years ago by Chris Bielow <[email protected]>

Merge pull request #53 from Waschi97/RtAlignment

[FEAT] Metric Rt alignment

a3e6405a8acc85e768168fc53afd7710b71c1167 authored over 5 years ago by Chris Bielow <[email protected]>

Update QCBase.h

5a16ab83f2c25b8f9be76584d716fe078b79a7b4 authored over 5 years ago by Chris Bielow <[email protected]>

Update QCBase.h

416be9cf179005e87848f177b1bd629059ac34b9 authored over 5 years ago by Chris Bielow <[email protected]>

Update RTAlignment.cpp

719cd9a5096ebdd358e2454467fb38becc322ca1 authored over 5 years ago by Chris Bielow <[email protected]>

Update RTAlignment.h

6758b555ee8e42ea9c1108adecfca3c887c233a5 authored over 5 years ago by Chris Bielow <[email protected]>

Merge branch 'develop' into RtAlignment

3ec0304bf542bfc4ada871f7ce53eab9a75ad3bd authored over 5 years ago by TomW <[email protected]>

executables.cmake in class_tests/openms merge fix

10793425efc9aa98f4655241a17456b71445b37c authored over 5 years ago by TomW <[email protected]>