github.com/OpenMS/OpenMS-1 commits | Ecosyste.ms: OpenCollective

fix package error for NSIS when multiple redist exe's are found in the VS installation dir

327dfa7f9c14b5e52ba6005cdac526e7bcdffadf authored over 3 years ago by bielow <[email protected]>

fix NSIS EnvVarUpdate script when using nsis-3.06.1 giving

Error: unterminated string parsing line at macro:_IncludeStrFunction1:7

Error in macro _Include...

3b718ad4393c3205fa27cbd319999828a6ae8320 authored over 3 years ago by bielow <[email protected]>

coloring scheme discarded, cosine ignore zero implemented,

FLASHIda pass all features to C#

c9031abda6b649a6ed54e826fb6d207be9704cb2 authored over 3 years ago by kyowonjeong <[email protected]>

coloring scheme discarded, cosine ignore zero implemented,

FLASHIda pass all features to C#

4236ebd79815b02b8551e942940164c87e51ffc6 authored over 3 years ago by kyowonjeong <[email protected]>

coloring scheme discarded, cosine ignore zero implemented,

FLASHIda pass all features to C#

8a0f3fe29f32f268e28a72909b2f87f88225e2f8 authored over 3 years ago by kyowonjeong <[email protected]>

coloring scheme discarded, cosine ignore zero implemented,

FLASHIda pass all features to C#

99a599b48f46728c7dff37e22e81f9a21717b233 authored over 3 years ago by kyowonjeong <[email protected]>

Update src/openms/source/FORMAT/QcMLFile.cpp

Co-authored-by: Timo Sachsenberg <[email protected]>

4f75e26d27c9776610f14e79739b2208d91de999 authored over 3 years ago by axelwalter <[email protected]>

remove redundant blank lines

b394556c67a2e855bb446191f9deabf9dc79db18 authored over 3 years ago by axelwalter <[email protected]>

fix division by zero in calculateSNmedian

c99c02f1f05aaff0754d6e794e03d1f9aed201db authored over 3 years ago by axelwalter <[email protected]>

add test PLFQ3 test output

91057ea3288a55eaa64da37ef48c96f5687f8bc3 authored over 3 years ago by oliveralka <[email protected]>

Merge remote-tracking branch 'remotes/hendrik/idfile-integration' into fix/hendrik_idfile_integration

c5e83b0fc369ac9739b7460831c8b24e394ebbeb authored over 3 years ago by oliveralka <[email protected]>

Merge pull request #5264 from OpenMS/jpfeuffer-patch-1

[FEATURE] allow auto-deduction of special rules in PepIdx for ConsID

425df864770f02b597f6f2ca366c5cb3f20f0e65 authored over 3 years ago by Julianus Pfeuffer <[email protected]>

Merge pull request #5261 from cbielow/fix_install_doc_linux

[DOC] fixed min. required gcc version

e5c93297cba4ef0615bb5628e827f677eb298818 authored over 3 years ago by Chris Bielow <[email protected]>

Forgot negating after change

e83d1521889fd768bcc20fb8a7dba606962b457d authored over 3 years ago by Julianus Pfeuffer <[email protected]>

[FEATURE] allow auto-deduction of special rules in PepIdx for ConsID

a10595fda6a45feaacd4cb2c295752cbd05a164d authored over 3 years ago by Julianus Pfeuffer <[email protected]>

Merge pull request #5263 from OpenMS/filemerger_docu

[DOC] Extend description in FileMerger

d9692da0d410c06b6cdc960f608a5c962360d09c authored over 3 years ago by Chris Bielow <[email protected]>

Update FileMerger.cpp

88af8c99693b370a1e2669705657f4ddde29f9f1 authored over 3 years ago by Julianus Pfeuffer <[email protected]>

Update src/topp/FileMerger.cpp

Co-authored-by: Chris Bielow <[email protected]>

f2ef5010a2428b0c00f9ef7e70dacd3cff2598e6 authored over 3 years ago by Julianus Pfeuffer <[email protected]>

Extend description in FileMerger

14beac4b680250f7ebb5d753771190ba0042d62c authored over 3 years ago by Julianus Pfeuffer <[email protected]>

toppic feature output ms2 as well

ff7a2d534827af1d66fd93343fe0962a6f4d5e52 authored over 3 years ago by kyowonjeong <[email protected]>

toppic feature output ms2 as well

b8bc741c3a095ea874e7c3f7a995c5bb5845667d authored over 3 years ago by kyowonjeong <[email protected]>

toppic feature output

7513912b1cac67e4aad52c5c6f843d1d1ef56c70 authored over 3 years ago by kyowonjeong <[email protected]>

added myself as author

b12f802f07dbb899c49c0ff9f88223b6fe6f00cd authored over 3 years ago by kasrat93 <[email protected]>

added myself as author

b93b2648683d261457571f7ff41fe2917132b412 authored over 3 years ago by kasrat93 <[email protected]>

[FIX,TEST] fixed behaviour of 'IdentificationData::getBestMatchPerObservation' for single matches; extended test

62793817b1b220f990887d94c1d9cac28104b481 authored over 3 years ago by Hendrik Weisser <[email protected]>

[FIX] removed outdated code in 'FeatureFinderIdentificationAlgorithm'

82c74e222953662d4de48a99dcdf4eeb08763326 authored over 3 years ago by Hendrik Weisser <[email protected]>

[FIX] properly clear original ID references in 'IdentificationDataConverter::exportFeatureIDs'

a9d853124f50a75d1d509cbb2326cea95659af57 authored over 3 years ago by Hendrik Weisser <[email protected]>

[DOC] changed to C++17

f1b1aa785220df3d9d2d389d48cb59c6193bdd4e authored over 3 years ago by bielow <[email protected]>

[DOC] fixed min. required gcc version

3ede29c21898721d1de4c1a4f35285a67b174cb4 authored over 3 years ago by bielow <[email protected]>

mass global target rt added

37849cbc191cccc324692b2cfb49de7ae1291626 authored over 3 years ago by kyowonjeong <[email protected]>

[fix/aut894] - Updating metaValue PeptideRef (#5192)

* [API] - Updating metaValue peptideRef to PeptideRef to conform with naming convention

* [TE...

cf7d5573b0557cf9113516786a0f03c44d12ea73 authored over 3 years ago by Ahmed Khalil <[email protected]>

FIX: Python Bindings SiriusAdapter (#5251)

* Update THIRDPARTY

* first changes pyopenms

* additional changes

* add all; pyx

* t...

4fdb0b53f2496045efd040cee539a91289fa0cf7 authored over 3 years ago by Oliver Alka <[email protected]>

[fix] update mazf description

2379f91c35153f2dc60f1e22aea59f69d8f025de authored over 3 years ago by Samuel Wein <[email protected]>

[fix] fixed enzyme specificity for mazf and updated tests to check.

33915b8dfca520ec2cbc3df3c9d500619b91f7d7 authored over 3 years ago by Samuel Wein <[email protected]>

Merge remote-tracking branch 'upstream/feature/mzqc_export' into feature/mzqc_export

merge online changes from accepted suggestions

a117d47a1e30c030aced200162a022ac0d6dcd54 authored over 3 years ago by axelwalter <[email protected]>

update QCCalculator test for TIC metrics

10667f5155b9ad8783b10a601276ac353af51a39 authored over 3 years ago by axelwalter <[email protected]>

Merge pull request #5169 from Waschi97/feature/FMEInterface

Second Compute Function for FragmentMassError

cc53479aceb6f0adebe2178913a24b86fbe538f8 authored over 3 years ago by Julianus Pfeuffer <[email protected]>

Merge branch 'feature/FMEInterface' of https://github.com/Waschi97/OpenMS into feature/FMEInterface

merging because of rebase

37234f67834cb5970628e44a96b9e55d64e5534c authored over 3 years ago by Tom Waschischeck <[email protected]>

update QC test files

a9933614b353a6a907cad275efd07b2690751d41 authored over 3 years ago by Tom Waschischeck <[email protected]>

merging develop

3828d7855627b637644715f77181afba70444b4b authored over 3 years ago by Tom Waschischeck <[email protected]>

Merge pull request #5213 from Waschi97/feature/QC/PSMCorrectness

New QC Metric "PSMCorrectness"

541a8af26e0988e07b5179171392436b71a8d629 authored over 3 years ago by Julianus Pfeuffer <[email protected]>

remove const from move ctor of unique_xerces_ptr

#5253

9239bf4d74fc9888b5ea81865ad29f88ebbafa22 authored over 3 years ago by Julianus Pfeuffer <[email protected]>

removed unneeded include & fwd declaration

040b143cbab805812c0837eb159f6f18da6c5a29 authored over 3 years ago by Tom Waschischeck <[email protected]>

amend (#5254)

be4559b3ca07032c6b315fe0b1f8633ce5d4e430 authored over 3 years ago by Julianus Pfeuffer <[email protected]>

Update src/openms/source/FORMAT/QcMLFile.cpp

Co-authored-by: Timo Sachsenberg <[email protected]>

d505a3ed58165352007b021262212324f66ba370 authored over 3 years ago by axelwalter <[email protected]>

Update src/utils/QCCalculator.cpp

Co-authored-by: Timo Sachsenberg <[email protected]>

c453eacd453fec8ecf8ae505ecb33bc542f6edf5 authored over 3 years ago by axelwalter <[email protected]>

Update src/openms/source/FORMAT/QcMLFile.cpp

Co-authored-by: Timo Sachsenberg <[email protected]>

19735854116a9bb1a0d0ed5c75c837e2db3a4c0a authored over 3 years ago by axelwalter <[email protected]>

Update MzQCFile.cpp

622e841c2e4de3d543b3d8e11f98fe9fd6b0551a authored over 3 years ago by Timo Sachsenberg <[email protected]>

mass global target rt added

d67113fdd59ff4529e4add8fb46df55ddf700479 authored over 3 years ago by kyowonjeong <[email protected]>

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

794aa87fe46c6877849a995d39ac51b17bb2958d authored over 3 years ago by Timo Sachsenberg <[email protected]>

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

07cf39716cf367e5c0bfd1ec93fca5fd0ce57d04 authored over 3 years ago by oliveralka <[email protected]>

add TIC quality metrics

b21eda23d3e5dcf1ae9d91d4b9bded004d9a602c authored over 3 years ago by axelwalter <[email protected]>

Update FeatureFindingMetabo.cpp (#5250)

a6b58bc11539aa52fa686089cf0617a8529b478b authored over 3 years ago by Timo Sachsenberg <[email protected]>

fixed QC topp tests

812389c1d8e22a6b2e0519b850e47e167f482c1a authored over 3 years ago by Tom Waschischeck <[email protected]>

Merge pull request #5248 from OpenMS/timosachsenberg-patch-1

[NOP] Simplify condition in thread check

3ca26ef972757b49248e82b1192a9db15f77eda5 authored over 3 years ago by Julianus Pfeuffer <[email protected]>

Update openms-ci.yml

8488430b9689f29820b41e65ff5948c4f692b450 authored over 3 years ago by Julianus Pfeuffer <[email protected]>

Merge pull request #5242 from OpenMS/fix/github_actions

Fix/GitHub actions

4752edbd0e10c383f7130735855a852822c08788 authored over 3 years ago by Julianus Pfeuffer <[email protected]>

Update PercolatorAdapter.cpp

e3b169d7bc8feb683b46b92fd6822f4b5a483f33 authored over 3 years ago by Timo Sachsenberg <[email protected]>

Merge pull request #5249 from jpfeuffer/fix/mzidParserMem

[Fix] Memory leaks

51945f82ae190e647068a220d016813d678fbd1f authored over 3 years ago by Julianus Pfeuffer <[email protected]>

remove boost dependency in QcMLFile

38aa0e6627ed58e41cf38e1d8b603d5b687da90b authored over 3 years ago by axelwalter <[email protected]>

address issues pointed out by reviewer

3732d7406c423eb3f4fb7eb01dbe5302fe5ea101 authored over 3 years ago by axelwalter <[email protected]>

update thirdparty

fe1ec4774f4f19867ee52700ede1b0db12297295 authored over 3 years ago by Timo Sachsenberg <[email protected]>

add tests for QCCalculator

4e06d464ed0738571370df3c8bd82a053f9b6887 authored over 3 years ago by axelwalter <[email protected]>

Dllapi?

f16e3379e3ae97e762b29921fff2aa44238fbb01 authored over 3 years ago by Julianus Pfeuffer <[email protected]>

mass global target rt added

eae5fde4e1cbd53efe2668d16828321df4a22ab7 authored over 3 years ago by kyowonjeong <[email protected]>

mass global target rt added

7c6d0b20b78ebcc4adf8ae3532e56a181079288a authored over 3 years ago by kyowonjeong <[email protected]>

gcc includes and tests

ba8f79d74c9a22608e816e5acdacf54c863e7cd7 authored over 3 years ago by Julianus Pfeuffer <[email protected]>

gcc

80f2d6bb406147ad7b541faf46aa162f4fdf3c25 authored over 3 years ago by Julianus Pfeuffer <[email protected]>

include?

acd59caa0e47f84b21f08067a7439d7c3bd5c3e9 authored over 3 years ago by Julianus Pfeuffer <[email protected]>

fix

ca5dd4cb4a9c31393ad43e701f8bd49f547d451e authored over 3 years ago by Julianus Pfeuffer <[email protected]>

Merge pull request #5238 from jpfeuffer/feature/mzTabExportAllPsms

[FEATURE] Allow exporting all PSMs to mzTab (ID-only for now)

204aa3e85b09ef8bef98fc4da1277968bc223e08 authored over 3 years ago by Julianus Pfeuffer <[email protected]>

TP............

caf2e6162f6ebf3ad2caae059050c5d74974d9b6 authored over 3 years ago by Julianus Pfeuffer <[email protected]>

fix

585b9598e7e0a327da6409e26a085b4d08099308 authored over 3 years ago by Julianus Pfeuffer <[email protected]>

comment

4706e23bd15ebc3f943154e17caaa2be8dfdb748 authored over 3 years ago by Julianus Pfeuffer <[email protected]>

[FIX] Some fixes an unique_ptr introductions

e51efa231ae09eee739fb2bc6e232fdef480f770 authored over 3 years ago by Julianus Pfeuffer <[email protected]>

Var

b73e1761ad3383e1d68cb5c605d859a5280d0e4b authored over 3 years ago by Julianus Pfeuffer <[email protected]>

merge

c57349d7184dd7b9ea12adf36b50b4fbe523d375 authored over 3 years ago by Julianus Pfeuffer <[email protected]>

[FIX] Memory Leaks

733d2dfd609527310c178d6d69206fb65415e04f authored over 3 years ago by Julianus Pfeuffer <[email protected]>

[FIX] Make ProgressLogger destructor virtual (#5247)

d68d651236227f036fbb0c4bda9816f66bc1cd33 authored over 3 years ago by Julianus Pfeuffer <[email protected]>

[FEATURE] Allow exporting all PSMs to mzTab (ID-only for now)

0ed740fc394f54fc9b49a3ec26c343925546275a authored over 3 years ago by Julianus Pfeuffer <[email protected]>

forgot commit CMakelists

7aa12e73e4d5c10eedb80dab6515794d1b57fa6e authored over 3 years ago by Julianus Pfeuffer <[email protected]>

Fix and make safer?

2c7b52eaf16fd9a7584f99cacfcfda75b553b643 authored over 3 years ago by Julianus Pfeuffer <[email protected]>

[FEATURE] Add OpenMSDatabasesInfo Util to list supported Enzymes and Mods in tsv.

909ba588d093c0d8b0335062ed7f1d5b39a1b1aa authored over 3 years ago by Julianus Pfeuffer <[email protected]>

allow consensusXML with all psms and doc fixes

a54d827db0d05fdca3caddd5bbe9167d8dd8561f authored over 3 years ago by Julianus Pfeuffer <[email protected]>

Update PercolatorAdapter.cpp version number (merge after THIRDPARTY update) (#5246)

* Update PercolatorAdapter.cpp

* pass threads parameter

* Update PercolatorAdapter.cpp

...

94e39d3c0de23fde356b409b72783d5ba18be13d authored over 3 years ago by Timo Sachsenberg <[email protected]>

FME test updated

fab4eb0ba8d4b4d720575a202ea9c56fe22ccb12 authored over 3 years ago by Tom Waschischeck <[email protected]>

matching spec not ms2 error message changed

770c835d381332a3741a877975ead38aa5aafddc authored over 3 years ago by Tom Waschischeck <[email protected]>

rename metavalue variable in Constants, docu

844935e3cf03bb8d338beda09e4e2bd24812d3e0 authored over 3 years ago by Tom Waschischeck <[email protected]>

private functions, potential seq fault prevented

86fb136278b8032001dcd5a8f9efec47e1c75d2d authored over 3 years ago by Tom Waschischeck <[email protected]>

typo

3590fcf18d7841e424b73b34b12c51708e16cdbe authored over 3 years ago by Tom Waschischeck <[email protected]>

QC test files with new metavalue name

a027ea9fbee5209417265dcffa68053b8bce1af3 authored over 3 years ago by Tom Waschischeck <[email protected]>

TSG: precursor charge set to 2 if 0 is given

e33d06442bbbcb2b0bc75d1c004d919da99eff0a authored over 3 years ago by Tom Waschischeck <[email protected]>

private function to annotate PSMEIC, metavalue rename, docu

3fe417f5a7b6117cc64ff96d750fe1ee193c1e54 authored over 3 years ago by Tom Waschischeck <[email protected]>

add additional peakfiletypes in TOPPView (#5240)

* add additional file types to TOPPView

* fix compile error

* add some doc and MSP support...

3b91dfe897e794546e1a0c984c4d6e36317c0c1f authored over 3 years ago by Timo Sachsenberg <[email protected]>

[nop] added a short description to Enzymes_RNA.xml

ba8918f7c076921b856d9f744734fb7cf4f48273 authored over 3 years ago by Samuel Wein <[email protected]>

Forgot to consider labels for labelled designs. Added tests.

97413fb5f43e5df7e0c8e163e3e755feefe503cb authored over 3 years ago by Julianus Pfeuffer <[email protected]>

Update THIRDPARTY

0b5820dfc9b5b5dc467900ccf03a3257597a9e1d authored over 3 years ago by oliveralka <[email protected]>

Update openms-ci.yml

112432325162eccf7922770ee836b434958a5a77 authored over 3 years ago by Julianus Pfeuffer <[email protected]>

Update cibuild.cmake

bf556080f1e11600fa742fc9fbd77d650809c3a3 authored over 3 years ago by Julianus Pfeuffer <[email protected]>

Update cibuild.cmake

4f0f9a440b95712e7767014d2782d22d6a1a71f8 authored over 3 years ago by Julianus Pfeuffer <[email protected]>