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

Further fixes and cleans

f6a87fb83370c2fdcab7d1f91a831d44c50fcad0 authored about 2 years ago by Julianus Pfeuffer <[email protected]>

fix missing electron masses

562b018de2f6e657278dfbfe1e99e2f3bcd5c3f7 authored about 2 years ago by Samuel Wein <[email protected]>

do not `cd..` for evergreen headers

c84e0e75f788eb2785a89db788502941168e7a03 authored about 2 years ago by Julianus Pfeuffer <[email protected]>

Move install location of thirdparty headers into openms include dir

fixes #6314
fixes #6315

562fd7e1b123cbf95f19482e1cf5e4de058ab833 authored about 2 years ago by Julianus Pfeuffer <[email protected]>

fix lint

bf468c314b01205e042d092c0f90e1268fc4c6e1 authored about 2 years ago by GitHub Linter <[email protected]>

Merge branch 'develop' into NASE_charge_fix

2cc575f1b908bec1a8243eb7ca6f8a7ef869693d authored about 2 years ago by Samuel Wein <[email protected]>

Merge pull request #6308 from OpenMS/fix/abibuilderURLs

[FIX] update abibuilder urls

6fe57740e67feefccb64500d6cafcf7387e062a4 authored about 2 years ago by Julianus Pfeuffer <[email protected]>

[nop] Added documentation for some NASequence functions that needed it.

3b919f9e7fa4dc467c426825244be2bb810cc57a authored about 2 years ago by Samuel Wein <[email protected]>

pyopenms class doc link

fc7f0c3fefcb0f783de153f8cdba0ec65ead8efc authored about 2 years ago by Julianus Pfeuffer <[email protected]>

Merge pull request #6309 from OpenMS/jpfeuffer-patch-1

[FIX] sync spectrumtype in pxd

959e0d585ae64fe99ca5833307abd7d59e582b81 authored about 2 years ago by Julianus Pfeuffer <[email protected]>

some cleanups (boost bind)

a5c43405dca2b06bda6c1caa6c825544508955de authored about 2 years ago by jpfeuffer <[email protected]>

Update test000.py

3417a8bda5a6e38694430504eb821bde2f6ed7ff authored about 2 years ago by Julianus Pfeuffer <[email protected]>

Merge branch 'develop' into fix/syncIDQuantPLFQ

16f9fc412b75cfcf74d954a10d789340956876e5 authored about 2 years ago by jpfeuffer <[email protected]>

sync spectrumtype in pxd

see https://github.com/OpenMS/pyopenms-docs/issues/294#issuecomment-1222537883

60d0a40bc498cee3f47b9926933df1b804b3b3cd authored about 2 years ago by Julianus Pfeuffer <[email protected]>

[FIX] update abibuilder urls

7b4d901d0da2ff360bcfabdf83a5a53662513000 authored about 2 years ago by Julianus Pfeuffer <[email protected]>

Huge refactor and fixes

1ed9ca0e9a047331368a15c2f381c2067a1ebbf8 authored about 2 years ago by Julianus Pfeuffer <[email protected]>

Merge pull request #6285 from dmccloskey/fix/DDAUpdates

feat: updates to DDA spectral extraction

ac15cedb4540aa505458d5139a49e45fd2ba2309 authored about 2 years ago by Timo Sachsenberg <[email protected]>

Merge branch 'develop' into maxquant-output

433fd9eeedf591dbd9380e9ee7c12efd5647824b authored about 2 years ago by Chris Bielow <[email protected]>

Update pyopenms-wheels.yml

ffc1c10476e268d93ccc6da6e517a52be9b29aaf authored about 2 years ago by Timo Sachsenberg <[email protected]>

Merge pull request #6302 from StefanBruens/fix_wm5_linking

Correct libOpenMS linkage to libWm5Core

3fdc712f7428e8bfdcd899e13a73d82b660d7858 authored about 2 years ago by Julianus Pfeuffer <[email protected]>

Merge branch 'develop' into fix/DDAUpdates

00acf8c3b72af87c83308c4461a2a066fc5d36fb authored about 2 years ago by Timo Sachsenberg <[email protected]>

Correct libOpenMS linkage to libWm5Core

The typo caused libOpenMS not being linked to libWm5Core, but only to
libWm5Mathmatics (twice),...

c6ae4a42311fc57e1bcb8b00b98b7289b90efb73 authored about 2 years ago by StefanBruens <[email protected]>

Update openms-ci.yml (#6300)

* Update openms-ci.yml

try to update install qt action (failing on mac) to v3

* Update ope...

c292bf1666e25d2b7cc9325ec766ce7af929f324 authored about 2 years ago by Timo Sachsenberg <[email protected]>

improve conda badges

715e6551086ca2317cb7312a985d10a6410f6aa8 authored about 2 years ago by Julianus Pfeuffer <[email protected]>

add opensource logo

699f51b0b91ac2802fa3f3fab295f0877ca622cf authored about 2 years ago by Julianus Pfeuffer <[email protected]>

nop

b2801bd0537d291f2bd8f231991db9e6aea152ee authored about 2 years ago by Timo Sachsenberg <[email protected]>

nop CI

d9f33f90937e84350ab84cfbb7b9f63d57242c89 authored about 2 years ago by Timo Sachsenberg <[email protected]>

nop CI

be6976ebe95b99c8a62eabeadfcc987c29c06beb authored about 2 years ago by Timo Sachsenberg <[email protected]>

Build version 14082022 - bug fixed

9633a7370dba446bcd7a6dd0ae1bc3a6c48d27b3 authored about 2 years ago by kyowonjeong <[email protected]>

refactor PLFQ to work on consensus

291beb9c580ec4c7a9310249876fff5fab2a3e2e authored about 2 years ago by jpfeuffer <[email protected]>

Merge branch 'develop' into timosachsenberg/filefilter-added-6138

5f06e443db5003e04ae5a5ca1f5b57b54045f8a2 authored about 2 years ago by Timo Sachsenberg <[email protected]>

Merge branch 'develop' into maxquant-output

72e5321085a395e601518d999a4d5f8710d32daa authored about 2 years ago by Timo Sachsenberg <[email protected]>

Merge branch 'develop' into feature/OswImCalibOutput

c1294f3b356dfda9c63d774ea7e0b7f3ce15977f authored about 2 years ago by Timo Sachsenberg <[email protected]>

Merge branch 'develop' into feature/MSP_spectral_matching

c0a37b0e98236fc8fa2cbd222560a37019666a51 authored about 2 years ago by Timo Sachsenberg <[email protected]>

small comments

9654df53d68db2af9285bd0dc17bca8d01f3a0f2 authored about 2 years ago by jpfeuffer <[email protected]>

Merge branch 'develop' into fix/DDAUpdates

2e868517375dc649c1fd3acb94e5e6ae675539b2 authored about 2 years ago by Timo Sachsenberg <[email protected]>

Merge branch 'develop' into fix/ninjaOnWin

7396aea8db0b84f2c721802a3d15ea7e07416b03 authored about 2 years ago by Timo Sachsenberg <[email protected]>

nobr for longest parameter in html table

#6299

52781aa8b1f73464e6cde72c4c8554b1d0c5ebf7 authored about 2 years ago by Julianus Pfeuffer <[email protected]>

install-win html close bold

#6299

f0741d3856d1ec1124a1af9b2aa79758b58df9e2 authored about 2 years ago by Julianus Pfeuffer <[email protected]>

fix sync bug in ProteinInference.cpp

f871ac17d3241bb2dac100fdd46e56a1964cac1e authored about 2 years ago by jpfeuffer <[email protected]>

fix new copy dlls on win

e85dc154488a448d0fdc4213ee912a7d89045ca1 authored about 2 years ago by jpfeuffer <[email protected]>

Build version 14082022 - bug fixed

70710c4f6d04248eb5e2c5987f996c9ffb27fca7 authored about 2 years ago by kyowonjeong <[email protected]>

start passing through unused psms in FFID. plus some cmake for ninja on win

648c53b84f463f87500c5581c84b6887531cac53 authored about 2 years ago by jpfeuffer <[email protected]>

Add some TODOS and minor fixes

8674841199feda95cf8242e9222c74f3c71e7988 authored about 2 years ago by Julianus Pfeuffer <[email protected]>

Allow configuring and building on Win with MSVC and nonVS generators

ae44cd26da32603c74196603172bb823dad0fd33 authored about 2 years ago by jpfeuffer <[email protected]>

add helper script

707e073ee8664e9724f0fbd377f1727b0cde7fb8 authored about 2 years ago by jpfeuffer <[email protected]>

add docs

15f780ba218f6b87c60190ec42b0c649ae6740e9 authored about 2 years ago by jpfeuffer <[email protected]>

add helper script

f2659a22b193f6f1e1fb6e36968cdb21e29b02cb authored about 2 years ago by jpfeuffer <[email protected]>

add docs

f61e1bcf09423f181aae3e6e6de1d33d53197d0b authored about 2 years ago by jpfeuffer <[email protected]>

handle negative and zero charge (#6283)

* handle negative and zero charge

* add docs

* Update PrecursorPurity.h

85b538a600077554a0db769df70dac15a3612b25 authored about 2 years ago by Timo Sachsenberg <[email protected]>

sync output in tool discvoery (#6290)

* sync output in tool discvoery

* also protect find sibling

897d3ad1efd66081c29cd29e04f89118faf8f428 authored about 2 years ago by Timo Sachsenberg <[email protected]>

Merge pull request #6289 from OpenMS/fix/macos3DViewOpenGL

force OpenGL 2.1 on macOS

ecfaef02fd7ae3ae0acea7942ca0da25c77fff23 authored about 2 years ago by Julianus Pfeuffer <[email protected]>

Update src/openms_gui/source/VISUAL/APPLICATIONS/GUITOOLS/TOPPView.cpp

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

fce51910d3e2a01be1b411cafd44fe1e902b1b5b authored about 2 years ago by Julianus Pfeuffer <[email protected]>

force OpenGL 2.1 on macOS

fixes #6215

4f8561d9513c585de7ac24dfa7898dc3e9571358 authored about 2 years ago by Julianus Pfeuffer <[email protected]>

Allow configuring and building on Win with MSVC and nonVS generators

d5e7e241b5fe72b841aade818dec1737908b1710 authored about 2 years ago by jpfeuffer <[email protected]>

Merge pull request #6287 from jpfeuffer/updContrib

update contrib. Was destroyed in #6230

08903a45d3b7a7b418b67cb4c0fa8479b44dd7b8 authored about 2 years ago by Julianus Pfeuffer <[email protected]>

update contrib. Was destroyed in #6230

246d78f9b8f326986b777f705420c22d67e806c0 authored about 2 years ago by jpfeuffer <[email protected]>

docu badge

6a891436c9994e227b79916de4c6c4377e3966c4 authored about 2 years ago by Julianus Pfeuffer <[email protected]>

gitpod badge style

f4a739eba6d2cca03094e99da827e88d521042b0 authored about 2 years ago by Julianus Pfeuffer <[email protected]>

more badge fixes

cba3dce92e9302354243a2373caed351dd8d5ce9 authored about 2 years ago by Julianus Pfeuffer <[email protected]>

badges

2c1bf252e34baabb7ce061e930d25a650fd27e63 authored about 2 years ago by Julianus Pfeuffer <[email protected]>

fixes for OSW data mapping

94e5eb46d5c8749c7eec51c4dac15addded74a57 authored about 2 years ago by bielow <[email protected]>

add test and remove unused variables

479a28962e97f583c8734a7456c21638ff189a3e authored about 2 years ago by bielow <[email protected]>

fix DIA OSW view (partial)

921267154e74b00fa526304cd7e468b1c1f46440 authored about 2 years ago by bielow <[email protected]>

fix a new bugs in scrolling and zooming.

Unify code.

bb8f379dc87955efec420736ae9b2133f1c05329 authored about 2 years ago by bielow <[email protected]>

fix: PR comments and unneeded code blocks

d2a9134f74969374774a1ca42d4f606b8f635d80 authored about 2 years ago by dmccloskey <[email protected]>

fix, tests: removed debugging line and updated test accordingly

6dd86209a324cf10a85fe9e1392932456646079c authored about 2 years ago by dmccloskey <[email protected]>

tests: fixed extract spectrum test

640e270acbba1f272dddf190f508ba3d4744e5a3 authored about 2 years ago by dmccloskey <[email protected]>

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

24a7fa72ebd7db8e9f50568b5799c796abb2d187 authored about 2 years ago by dmccloskey <[email protected]>

First try and fixes to ExperimentalDesign (especially onetable), PLFQ (sample vs fracgrp) and cleanups.

3fb2c87be0e5edbe66c884a8e9329880ffa5409e authored about 2 years ago by Julianus Pfeuffer <[email protected]>

fixes for showing chromatogram data

6694e30f8ddde54a7fdcb4d1a32d1912f91c8143 authored about 2 years ago by bielow <[email protected]>

add MetaboliteSpectralMatcher meta values to Constants.h

1f09ff9a5b2430768986813d571e6cf1ddcbbf01 authored about 2 years ago by axelwalter <[email protected]>

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

07c5ffd77336c491b9da40603242a3cd73ce7754 authored about 2 years ago by JeeH-K <[email protected]>

[TEST] updated JSONExporter test files

d03dc56658d757d967223261c6df480171eaae83 authored about 2 years ago by Hendrik Weisser <[email protected]>

[IO] IDFileConverter: enable rewriting of .oms (SQLite) files without internal (lossy) conversion via legacy ID formats

4e1644474cfb52118074a0b69dc4a74e1c0633b7 authored about 2 years ago by Hendrik Weisser <[email protected]>

[INTERNAL] simplified export of .oms (SQLite) files to JSON (based on reproducible database keys)

5d5b0af2a10a54f5526fba87b3aaece8224cce8a authored about 2 years ago by Hendrik Weisser <[email protected]>

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

4ea68e694f683b5c87e6b4b44ed58f9554a73c61 authored about 2 years ago by JeeH-K <[email protected]>

regex non capturing groups

192c602cecb10367b668bc007295c57a7430edb0 authored about 2 years ago by axelwalter <[email protected]>

hopefully fixed the seg fault in msms

6e3350d95f5193bd26b9f1afc325e9da0cb6c934 authored about 2 years ago by beschorneh32 <[email protected]>

always add spectrum to library

f57a8e48166038583e0e9be3946cab060ca3746d authored about 2 years ago by axelwalter <[email protected]>

ensure correct mv names for MetaboliteSpectralMatcher

226303949c32f1d54b521b628876e598fd8a2c7a authored about 2 years ago by axelwalter <[email protected]>

set spectrum precursor mz

2714330790480ddf3ce70a56f722ca429f928394 authored about 2 years ago by axelwalter <[email protected]>

Merge branch 'develop' into maxquant-output

52f3a04d6f6a483d74104e152c68d2ac80e26633 authored about 2 years ago by Timo Sachsenberg <[email protected]>

Merge branch 'idfile-ordered-keys' into idfile-json-export

c161e33c3fc51013c1b8d3833ce3c831edaa51d4 authored about 2 years ago by Hendrik Weisser <[email protected]>

[FORMAT] update schema version of .oms (SQLite) files, handle recent changes

b0330759e8f97309ab3cf028aa4ff085b428018a authored about 2 years ago by Hendrik Weisser <[email protected]>

fix 1D intensity filter

a5774f4dac3a552974094d4af68d856b04b34e4b authored about 2 years ago by bielow <[email protected]>

Merge branch 'develop' into feature/OswImCalibOutput

b89533100bd998207523777aad651cd6fc0cf795 authored about 2 years ago by Timo Sachsenberg <[email protected]>

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

6df605925b8db92012a4cf8317e7e90eb3a28651 authored about 2 years ago by bielow <[email protected]>

Merge branch 'develop' into idfile-ordered-keys

0b4a8572ed1b515ff58396d4f2d4ec5ac27a03a5 authored about 2 years ago by Hendrik Weisser <[email protected]>

[FORMAT] use reproducible database keys in .oms (SQLite) files

42fd65cd3e9d039fc339be276e62a13fb002896a authored about 2 years ago by Hendrik Weisser <[email protected]>

Merge pull request #6275 from cbielow/ConsoleFun

[FEATURE] Colored console output

9a45bd1e7dd9be3f9bb073d04c22c5ced79688e5 authored about 2 years ago by Chris Bielow <[email protected]>

remove Num Peaks regex

11bbaf60ef9bf25fd388ca21f57c1f284deb2df4 authored about 2 years ago by axelwalter <[email protected]>

line width

87b7aac8bbae2c1caf9efde2f3109574fb395816 authored about 2 years ago by Julianus Pfeuffer <[email protected]>

fix warning

5de7fff3d3980fe614f63d9b45b844ebca59de8f authored about 2 years ago by bielow <[email protected]>

Merge pull request #6231 from axelwalter/fix/restructure-sirius-thirdparty

[Fix] Restructure Sirius in THIRDPARTY

8fccdca8a90229b6c831243bdf29766583c97a6d authored about 2 years ago by Julianus Pfeuffer <[email protected]>

fix compile warnings

e7f4651062e204b496fa687ec73a4bfa89dd9178 authored about 2 years ago by bielow <[email protected]>

Merge pull request #6279 from cbielow/warning_fixes

fix some frequent warnings

71e31e99ce36938f50f96e0036106cfd731576e5 authored about 2 years ago by Chris Bielow <[email protected]>

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

ab6cd0bc3ec7dbf097862d74f690842ec82560a1 authored about 2 years ago by bielow <[email protected]>

fixes (macOSX)?

4d4ee7a7d188c25915a9906f017f15d36dfff766 authored about 2 years ago by bielow <[email protected]>

Update src/openms/include/OpenMS/FILTERING/SMOOTHING/SavitzkyGolayFilter.h

18d30adb88f924303b3f5caaa93909065c18c433 authored about 2 years ago by Chris Bielow <[email protected]>