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

TopPIC frag masses are sorted by qscore when their count exceeds 500

070a2356654c21634c51890c8a10920f94866bdd authored about 2 years ago by kyowonjeong <[email protected]>

[FIX]: QBytesArray::append(QString) is deprecated (#6101)

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

9f26f3e0ea84fdd382d50adeb5a2f50dafbc430b authored about 2 years ago by AMIT KUMAR MISHRA <[email protected]>

Merge pull request #6354 from OpenMS/jpfeuffer-patch-1

Upload to nightly pypi repo

c205ebc28cce6af72a240165918118f39166b2b6 authored about 2 years ago by Julianus Pfeuffer <[email protected]>

Upload to nightly pypi repo

9c4629c00622de005d2e62ee7f9c9872434dbced authored about 2 years ago by Julianus Pfeuffer <[email protected]>

Merge pull request #6353 from OpenMS/jpfeuffer-patch-1

[FIX] adapt tests to changes in ExperimentalDesign Sample numbering

33159470824b047f955b506c52d7001c22f29242 authored about 2 years ago by Julianus Pfeuffer <[email protected]>

adapt tests to changes in ExperimentalDesign Sample numbering

f35b3463f1550f6a51c3cec12cee850cb2e4dba2 authored about 2 years ago by Julianus Pfeuffer <[email protected]>

TopPIC frag masses are sorted by qscore when their count exceeds 500

3c63e8e770ed4d4cb3a790ccfbee0840c67e304a authored about 2 years ago by kyowonjeong <[email protected]>

Merge pull request #6316 from OpenMS/jpfeuffer-patch-4

Move install location of thirdparty headers into openms include dir

db7eb01d0bdf0594de202c66f25ca22d3fc71f0a authored about 2 years ago by Julianus Pfeuffer <[email protected]>

TopPIC frag masses are sorted by qscore when their count exceeds 500

4c593e9148b157b21bbb10750768acb9cd0304dd authored about 2 years ago by kyowonjeong <[email protected]>

TopPIC frag masses are sorted by qscore when their count exceeds 500

4cdad281341d9429ab953be46bfb6d7d11620dd3 authored about 2 years ago by kyowonjeong <[email protected]>

TopPIC frag masses are sorted by qscore when their count exceeds 500

baa0f864a001d48b2d0b4e776242a4086c3da63a authored about 2 years ago by kyowonjeong <[email protected]>

Merge pull request #6350 from OpenMS/nightly

Update gh-action-pypi-publish

a581f6c3d7a21cb8ccca64fcbf516c29838fad82 authored about 2 years ago by Samuel Wein <[email protected]>

Update gh-action-pypi-publish

master tag is deprecated, migrating to release/v1 as suggested on https://github.com/pypa/gh-act...

e161f3f9474789a95fee4a44268661490d608f5a authored about 2 years ago by Samuel Wein <[email protected]>

Merge pull request #6348 from OpenMS/wheels-macos-fix

Update pyopenms-wheels.yml

9864d5c4804a46a17cdd22d85d4ce0ace4e251a6 authored about 2 years ago by Samuel Wein <[email protected]>

Update pyopenms-wheels.yml

Bump version of cmake for build-macos

304f80663699f1289fe7925a12b85dd02bc607ba authored about 2 years ago by Samuel Wein <[email protected]>

Merge pull request #6347 from OpenMS/fix/mztab_exp

workaround for MzTabExporter not being able to export ids with empty …

05bc770ba8fda94e0341a1cd35d00b5607fbe976 authored about 2 years ago by Timo Sachsenberg <[email protected]>

workaround for MzTabExporter not being able to export ids with empty hits

4adfc5250538c8d2a107b10386eaf2a51a38bc07 authored about 2 years ago by Timo Sachsenberg <[email protected]>

Masstrace isotope bug fixed

70ed07f1e9833d43337c8af4d87ae2ed8ec9f70b authored about 2 years ago by kyowonjeong <[email protected]>

bug fixing - not udpated files from origin/feature/FLASHDeconv

cc8f125e141fe86f2bd73e0327383592cdcaafd6 authored about 2 years ago by JeeH-K <[email protected]>

bug fixing - not udpated files from origin/feature/FLASHDeconv

dae16ad99369945d5c6658db1f9e99443cbdd630 authored about 2 years ago by JeeH-K <[email protected]>

Merge remote-tracking branch 'origin/feature/FLASHDeconv' into feature/FLASHDeconvOnly

e4d0f9185aad98d727cf3f9f27bc7620fe4d5178 authored about 2 years ago by JeeH-K <[email protected]>

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

feb01de613d3aadfc8de6bb62bedf3524488dff5 authored about 2 years ago by JeeH-K <[email protected]>

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

2e8e220a680a39a232f5e074a2518b8751af76f2 authored about 2 years ago by JeeH-K <[email protected]>

Masstrace isotope bug fixed

3dc8d62105cb6960cd6e42e065a92d5f6b6ba829 authored about 2 years ago by kyowonjeong <[email protected]>

Merge pull request #6284 from OpenMS/feature/MSP_spectral_matching

[Feature] MetaboliteSpectralMatcher input databases in msp and mgf file format

a0b4326b7e2ed868f48a310f89ede6bb556cd659 authored about 2 years ago by Timo Sachsenberg <[email protected]>

Merge pull request #6344 from OpenMS/fix_scoregetter

correct parameters

14ef63f24f8781c8e54425828de256a0cad733cd authored about 2 years ago by Timo Sachsenberg <[email protected]>

Merge pull request #6343 from OpenMS/remove_qtconcurrent

remove dependency to QtConcurrent

1f511f0ecb14d44855e26e75983e1e410d2e1b4d authored about 2 years ago by Timo Sachsenberg <[email protected]>

Merge pull request #6345 from OpenMS/fix_pyopenms

fix pyOpenMS wrapping of ExperimentalDesign

d4ae8bde64597b45f24170f4d4c4ba51369ac2ff authored about 2 years ago by Timo Sachsenberg <[email protected]>

fix pyOpenMS wrapping of ExperimentalDesign

1cba615dec175d2798000d204125b9afcbfba23c authored about 2 years ago by Timo Sachsenberg <[email protected]>

Update TOPPASOutputFileListVertex.cpp

32723d8f43278893e79c1a05eed9e1ea8c0f0046 authored about 2 years ago by Timo Sachsenberg <[email protected]>

Merge branch 'develop' into feature/MSP_spectral_matching

4f81379514e12a2cdd3acd566095a02538a57fd9 authored about 2 years ago by Timo Sachsenberg <[email protected]>

correct parameters

e53ef6d4a9ee651352c2c8b0dd63559d083beed5 authored about 2 years ago by Timo Sachsenberg <[email protected]>

remove dependency to QtConcurrent

b4bd33dce50b5d292f340bbd00b0ccf1fdd041dc authored about 2 years ago by Timo Sachsenberg <[email protected]>

Merge branch 'develop' into feature/nase_debug

91a23c146e5ebd3c31c0d74c48dae01510c2d886 authored about 2 years ago by Samuel Wein <[email protected]>

[fix] fix merging of NASequence thiol code

121f93755231b953d5bd3ac9951ca310bc16bdcf authored about 2 years ago by Samuel Wein <[email protected]>

Merge branch 'feature/new_thiols' of ssh://github.com/poshul/OpenMS into feature/new_thiols

39edffac7ab94f2ebdd704233b3ed97ef83923ad authored about 2 years ago by Samuel Wein <[email protected]>

Merge pull request #6342 from OpenMS/fix/pep_prot_quant

[fix] don't crash on empty peptide hits vector in PeptideAndProteinQuant

a0826c37f77996b66125c64373a7dc207234e517 authored about 2 years ago by Timo Sachsenberg <[email protected]>

don't crash on empty peptie hits vector in PeptideAndProteinQuant

5064187a0e66d426a9375d3de9e6011030be544e authored about 2 years ago by Timo Sachsenberg <[email protected]>

Merge branch 'develop' into feature/nase_debug

6ae250fba2fb01c9c4b77a853ee878d82d1849e4 authored about 2 years ago by Samuel Wein <[email protected]>

[fix] include proper retention time in NASE debugging output

d261e9ece1142437e0108a770fbdf9ab567d103a authored about 2 years ago by Samuel Wein <[email protected]>

[feature] add wrapping for NucleicAcidSpectrumGenerator

48c7ec67b258005a25bc4e719fac7412510e4286 authored about 2 years ago by Samuel Wein <[email protected]>

[fix] include proper retention time in NASE debugging output

1e8ef1b466649e8e4b4f069eeca3068b9e8a7901 authored about 2 years ago by Samuel Wein <[email protected]>

Merge pull request #6339 from OpenMS/fix/plfq_bugs

fix some bugs recently introduced in large refactoring

e3dd2c934a49a4008494cbc1eda830dbbfa2f85c authored about 2 years ago by Timo Sachsenberg <[email protected]>

workaround for duplicated score types

3f9515639508d740e37794948c0496a64bef7e54 authored about 2 years ago by timosachsenberg <[email protected]>

if scores have same name, old one gets tilde appended

8b61c88f2ba67dbea554d22497e2d085b4a82165 authored about 2 years ago by timosachsenberg <[email protected]>

Fix typo for thiol+methyl parsing

8362b409a7635947beb8c5413b96e68087a23323 authored about 2 years ago by Samuel Wein <[email protected]>

fix rel. vs. basename in other direction

163c5d1549c754e3d3ffd5d1626364fd25f9678d authored about 2 years ago by timosachsenberg <[email protected]>

fix some bugs recently introduced in large refactoring

4b238c7405b4e74135681e3fd2b937d90ebe8dbf authored about 2 years ago by timosachsenberg <[email protected]>

Merge branch 'develop' into feature/OswImCalibOutput

e829919fc0964a3eaaa9d96853d1a1ed3f12ff57 authored about 2 years ago by Timo Sachsenberg <[email protected]>

Merge pull request #6306 from jpfeuffer/fix/syncIDQuantPLFQ

Huge refactor of PLFQ and Experimental design

e4143aacf975dc1f7017aa91edb82c2ce95cd3ac authored about 2 years ago by Timo Sachsenberg <[email protected]>

Update src/openms/source/ANALYSIS/ID/IDScoreGetterSetter.cpp

Co-authored-by: Julianus Pfeuffer <[email protected]>

644311b91f81551f30ea425c83f4996816b32109 authored about 2 years ago by Timo Sachsenberg <[email protected]>

[fix] fix linter's mess

a855f17db0e528015e5f6ecc7dc88024ffe819b2 authored about 2 years ago by Samuel Wein <[email protected]>

fix lint

e345464076927aa4a33f2fcc7c5fc212e02ccba9 authored about 2 years ago by GitHub Linter <[email protected]>

Merge branch 'develop' into feature/new_thiols

2fbf174dacb9b109b62b81964772b963883e5990 authored about 2 years ago by Samuel Wein <[email protected]>

[nop] clean up some comments

c933155a86663e2d4dafd06a0987eadd5f8b9120 authored about 2 years ago by Samuel Wein <[email protected]>

[feature] fixed calculation for thiol linkages

9a2c4b493acdd8b7676416a0a3cc8998c9e2244f authored about 2 years ago by Samuel Wein <[email protected]>

fix small compile error/warning

1d3b3b2e6fe2c380fd6a1576c6337ec876862732 authored about 2 years ago by Timo Sachsenberg <[email protected]>

Fix the very last tests that I overlooked.

b9bdfd0f9d914bc295893e0313f4b81fd93e422b authored about 2 years ago by Julianus Pfeuffer <[email protected]>

Allow merged IDs for spectralCounting. Fix some bugs with empty CMaps.

Update tests.

9abcb77e7bec40b733435a6f4ba234f5c0f908ad authored about 2 years ago by Julianus Pfeuffer <[email protected]>

Merge branch 'develop' into fix/syncIDQuantPLFQ

344ff681b6d6987e92e0ad6133a7237114d0d540 authored about 2 years ago by Julianus Pfeuffer <[email protected]>

fix tests. mostly 0 vs 1 based issues

34aaa7eb5a215a24b248b7694b7c768fe37f598b authored about 2 years ago by jpfeuffer <[email protected]>

[FIX] Alter gene select and join query to deal with multi gene-peptide mapping

3fc6961cb94ebb92009a51035f2d1cabb0e9738a authored about 2 years ago by singjc <[email protected]>

[NOP] Fix spacing

fdcd6ae31711048f5de522c676f976631e6433bc authored about 2 years ago by Joshua Charkow <[email protected]>

[MINOR] Move name in Authors list and add change to CHANGELOG

5e16b71e6afd136bbe3589130ba4ae5b4cd5c6b2 authored about 2 years ago by singjc <[email protected]>

[FIX] Alter gene select and join query to deal with multi gene-peptide mapping

75bf0d1a7873db97bc5b61975be00c53a7cf8c7d authored about 2 years ago by singjc <[email protected]>

Merge pull request #6288 from jpfeuffer/fix/ninjaOnWin

Allow configuring and building on Win with MSVC and nonVS generators

e5eed0428852668f67a8c130eff25bf7331aae8c authored about 2 years ago by Julianus Pfeuffer <[email protected]>

Merge branch 'develop' into fix/ninjaOnWin

9875e6ea8658fb1e575ed177dca71e65a89783f1 authored about 2 years ago by Julianus Pfeuffer <[email protected]>

Apply suggestions from code review

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

598afeb9ee8b6f603938e9a13cfe8476dded7f7f authored about 2 years ago by Julianus Pfeuffer <[email protected]>

Update doc/doxygen/install/install-win.doxygen

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

c0b080081d456dd6b7771704d1d4cb5b0f74f10b authored about 2 years ago by Julianus Pfeuffer <[email protected]>

Merge branch 'develop' into jpfeuffer-patch-4

b82e09ab7e2ae60ae2fa46d4924ce2c7f4d3dfa0 authored about 2 years ago by Julianus Pfeuffer <[email protected]>

[NOP, COMMENT, TEST, DOC] minor fixes

Fix whitespaces and tabs
Add documentation for findSwathMapsPasef function
Fix OpenSwath Test 23...

0294cab23b173fc76b0db60dca6721fe570982a8 authored about 2 years ago by Joshua <[email protected]>

Merge pull request #6328 from poshul/feature_onemodule_py

Fix tooling to compile pyopenms as a single module

3c4f8ba175e3d70cac7fdcaaa02642b5b2b443e9 authored about 2 years ago by Julianus Pfeuffer <[email protected]>

Update CMakeLists.txt

fda3eff629c264a3eaa75e5f88801268538820e2 authored about 2 years ago by Samuel Wein <[email protected]>

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

748041ece468e65cb6aaca75d032570113f50db3 authored about 2 years ago by JeeH-K <[email protected]>

fix text for typing info

8aebf21e9cbde5ab3deb730671c3b7d344a1f72d authored about 2 years ago by Samuel Wein <[email protected]>

Merge branch 'develop' into feature/OswImCalibOutput

30ea02ab431fdb926cdedcabe91b70e99a1a5f55 authored about 2 years ago by Joshua Charkow <[email protected]>

Merge branch 'develop' into feature_onemodule_py

1692ce9f7f8a9e9d22049e1b8a759b25f50b436e authored about 2 years ago by Samuel Wein <[email protected]>

reverted suffix addition in CMakeLists, fixed create_cpp_extension to handle single module compilation, fixed CMakeLists to map imports properly

d1732a4c3296878d9473d78963f443c2203e7958 authored about 2 years ago by Samuel Wein <[email protected]>

Build version 06092022

2ce9ccddb5d83c469a5aa26633a4ae1f5ef17eae authored about 2 years ago by kyowonjeong <[email protected]>

handling case where we have only a single pyopenms module

40f165f8118ead065f53dbc87595f60942020fda authored about 2 years ago by Samuel Wein <[email protected]>

[DOC][COMMENT] minor doc fixes to new changes

081cb47b8c3b488e5a34d6f139d11c7328aabc2b authored about 2 years ago by Joshua <[email protected]>

Update README.md

784375c0ea77ba1728f14755bb777a35f1cff2be authored about 2 years ago by Julianus Pfeuffer <[email protected]>

Update README.md

1a8a3d4ba2af9ea91a7148c6722c67ff452fee1e authored about 2 years ago by Julianus Pfeuffer <[email protected]>

Update README.md

86dc96c7f8c775267e4af84c9f7c6cdee8916e66 authored about 2 years ago by Julianus Pfeuffer <[email protected]>

Update README.md

3f8a01d69dc2812d3deb08ac790e5c427c9aa595 authored about 2 years ago by Julianus Pfeuffer <[email protected]>

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

62abdb4ff6836c20cf50cf4cd9e6795c24312122 authored about 2 years ago by JeeH-K <[email protected]>

Build version 01092022

d616afb70a117a1e629a8cd3b0a0162403eeac71 authored about 2 years ago by kyowonjeong <[email protected]>

first running version. and updated tests

ebe2a1f2c120b78e9a4ba59da7ce4a55132a9e45 authored about 2 years ago by Julianus Pfeuffer <[email protected]>

Update NASequence.cpp

Clarify comment

5f43372c929d053ec2c6cf09f84a852c6a0332dc authored about 2 years ago by Samuel Wein <[email protected]>

Merge pull request #6319 from axelwalter/feature/sirius-login

[Feature] Sirius user account login

3cbb868b31dacda665f0a5a037c1ab34f2fa9d50 authored about 2 years ago by axelwalter <[email protected]>

more cleanups and fixes. implement coverage and mod collection for consensusmaps

ac07ea08d93e588045202bd05af7bff2ddf2cd30 authored about 2 years ago by jpfeuffer <[email protected]>

fix one table design

a30bd100a359a76535bfe26513caf879718f8872 authored about 2 years ago by Julianus Pfeuffer <[email protected]>

check login info in SiriusAdapter

c93d3156737915dc2ee025129543e1ed5ddb643d authored about 2 years ago by axelwalter <[email protected]>

wrap sirius login function

a71618afac61b325824d4ad8d952c6a2f3e3a0cd authored about 2 years ago by axelwalter <[email protected]>

implement login for SiriusAdapter

1452e744959b93c95edc981f7a2ebab237ac14ba authored about 2 years ago by axelwalter <[email protected]>

Merge branch 'develop' into jpfeuffer-patch-4

e45e1dbfc1e6e4674a9cdd48f34331e3bbac4d33 authored about 2 years ago by Timo Sachsenberg <[email protected]>

Update .gitpod.Dockerfile

908c8d935556c2ebcea41e75265e3e479b5a0045 authored about 2 years ago by Julianus Pfeuffer <[email protected]>

Merge pull request #6318 from OpenMS/updateContrib

[Update] submodule with new archive URLs

bf3db80f461c2b6f8c7ed339d9b5367c4b30b1af authored about 2 years ago by Julianus Pfeuffer <[email protected]>

[Update] submodule with new archive URLs

30d554f2aa112dd91341fdd1840c864302a0af5e authored about 2 years ago by jpfeuffer <[email protected]>

Merge pull request #6311 from OpenMS/jpfeuffer-patch-1

pyopenms class doc link

2e5747ce1d56a6d66642448ac75e2996ac0f1920 authored about 2 years ago by Julianus Pfeuffer <[email protected]>