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

use new (colored) gradient for log-intensity

687dc948c1374d04d0e353cd1a71f0893ed21b75 authored almost 2 years ago by bielow <[email protected]>

unused parameters

6424eb3caeca429355b86ccf473cda719443b94e authored almost 2 years ago by bielow <[email protected]>

add flag for uncompressed sirius project space

cbdfd46c7629ab58f539040b4bf8ce8de1253d65 authored almost 2 years ago by axelwalter <[email protected]>

set sirius compound and tree timeouts to 100s

aa0b7468d4bc1166c05e70143d72bb43c90f8b30 authored almost 2 years ago by axelwalter <[email protected]>

update parameters

empty string and -1 for not passing parameter to command need to be in valid range

6a294ba73a30fab92fa85454d97ce8ecba8b8828 authored almost 2 years ago by axelwalter <[email protected]>

use correct SIRIUS default parameters in SiriusAdapter

652a80b66ec7bfab859c5c6b126d8526cbd8bffe authored almost 2 years ago by axelwalter <[email protected]>

use original sirius 5.6 parameters

write only deviating parameters to sirius CLI tool

84250f12c6abc9d39619b53db874caa13683b10a authored almost 2 years ago by axelwalter <[email protected]>

add sirius:candidates parameter to tests

f715b01afc09dd437a63022a5b8385a2caf2edda authored almost 2 years ago by axelwalter <[email protected]>

update THIRDPARTY with sirius 5.6.1

59a7615ca571a1469ad15c132bd4aaf8b6f5a283 authored almost 2 years ago by axelwalter <[email protected]>

move write-summaries command to the end

54323bfda53658cc6b21b716162e6ebedc6082b2 authored almost 2 years ago by axelwalter <[email protected]>

update tests

0973f552d502ae3da49d8b9c8fef2045a0c9a4cc authored almost 2 years ago by axelwalter <[email protected]>

CSI:FingerID name changed from fingerid to fingerprint

be6d6c92d4e17170eec01c3198ed166173ef3f48 authored almost 2 years ago by axelwalter <[email protected]>

removing obsolete FingerID parameters

355a488eb7b7d156e69389fad0d14db2a8d6f834 authored almost 2 years ago by axelwalter <[email protected]>

adapt to changes in fingerid

- number of candidates for sirius and fingerid are the same now
- fingerid done with fingerprint ...

f92256fe9b5d2b6e5a54534eb498f5d184fcec2d authored almost 2 years ago by axelwalter <[email protected]>

update tests

whitelist compound with varying sum formula results

2b2a3c1188dd69605acff67531a5c593e8871370 authored almost 2 years ago by axelwalter <[email protected]>

[nop] finished reordering of imports

bdef9f8ce95a6c2408e938331be704e31fd72cbb authored almost 2 years ago by Samuel Wein <[email protected]>

Merge pull request #6398 from OpenMS/fix/newpyomsapi

[FIX] some fixes for reduced pyopenms API

d4bc09f7ae97d3115997ade2b05ec9defb92df93 authored almost 2 years ago by Julianus Pfeuffer <[email protected]>

[FIX] fixes some signedness comparison warnings in pyx files

01de5285ddb27e94480af82a0bd37fda9298e2ff authored almost 2 years ago by Julianus Pfeuffer <[email protected]>

[fix] patched values for DeconvolutedSpectrum_test. THIS SHOULD BE CHECKED

d01409335e996a6d61c419dcc9266a11aa345e9b authored almost 2 years ago by Samuel Wein <[email protected]>

[nop] removed phantom parameter and added move assignment iterator

5509750086166114d51e1319b5a74de8579af665 authored almost 2 years ago by Samuel Wein <[email protected]>

[nop] reorder imports

643041c0838def71974408601aad7744dadc5255 authored almost 2 years ago by Samuel Wein <[email protected]>

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

14f962759b71c578f8845c58daf4386790c56c84 authored almost 2 years ago by bielow <[email protected]>

Merge pull request #6395 from cbielow/feat

enable unused_variable warning as error on Windows

cb20f950bbd4f2d65e231f8124227899d87c25d7 authored almost 2 years ago by Chris Bielow <[email protected]>

[nop] cleanup

a2e1fb16612e3603ca92fd80b38fd007738bbeb6 authored almost 2 years ago by Samuel Wein <[email protected]>

Update EnzymaticDigestion.cpp

4ca4baba46ce30875a5f7bece3a2e83d987c4415 authored almost 2 years ago by Timo Sachsenberg <[email protected]>

[nop] restore more comments

2cae27226dcf3c9b87c75096567b73c28d7846ba authored almost 2 years ago by Samuel Wein <[email protected]>

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

849eaf71a96cbb5bae114643066d16924c655b4a authored almost 2 years ago by Samuel Wein <[email protected]>

[nop] revert some deleted comments,

b5c455834c7e78693e245a7b030ed479a2901cc1 authored almost 2 years ago by Samuel Wein <[email protected]>

[nop] revert seemingly lost comments.

507d7a8f2a87c5dbe0d405193f8664a32f7ddf58 authored almost 2 years ago by Samuel Wein <[email protected]>

[nop] reordered imports, clarified several comments

b2dcbcfb7ca17af186633d01d421ded07a041cde authored almost 2 years ago by Samuel Wein <[email protected]>

[nop] remove comment for constructor that was IMO confusing

2bdf56f7aa90f6ba825d7802e4e40924981fa83e authored almost 2 years ago by Samuel Wein <[email protected]>

[FIX] some fixes for reduced pyopenms API

e99cadc0eaa3f8c0adcfb42db3c837af031a9f7d authored almost 2 years ago by jpfeuffer <[email protected]>

add test

267f78d8685da970e86c832d2614f40f4ee34ca3 authored almost 2 years ago by Timo Sachsenberg <[email protected]>

[FEATURE] count internal cleavage sites

8d15722148621ea23ba32f105e56f48cd1d96943 authored almost 2 years ago by Timo Sachsenberg <[email protected]>

[nop] revert comment

be6769b1d86c4d2dcf9745ae72b0ceb95a5971f9 authored almost 2 years ago by Samuel Wein <[email protected]>

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

d445eeff11f3a788ced544c3bb2ec288493109bd authored almost 2 years ago by Samuel Wein <[email protected]>

add test to make sure that we can parse all the ribonucleotide mods

51c6fb96353884b77d227eb7f4e475e8e64feb6f authored almost 2 years ago by Samuel Wein <[email protected]>

Merge branch 'develop' into feat

f4276ee132c6dc150b7e6fef64168635265ff262 authored almost 2 years ago by Samuel Wein <[email protected]>

fix new errors in Release build

722bc1fb49e07dc389f01e06c6c45b5ac54a0700 authored almost 2 years ago by bielow <[email protected]>

Merge branch 'develop' into feature/FLASHDeconvOnly

ce71a54df9f46776fb65fb45a0d20fa79e954656 authored almost 2 years ago by Samuel Wein <[email protected]>

Merge pull request #6377 from poshul/fix/FFMI_segfault

[fix] fix segfault when passing data with no MS1 scans

d977b6c84f196ec90f482936b2769753030b36e6 authored almost 2 years ago by Samuel Wein <[email protected]>

Merge pull request #6387 from OpenMS/fix/deb

Fix deb dependencies for qsql

9d889f247ff7c0695817049d1879e0bc46b729e7 authored almost 2 years ago by Samuel Wein <[email protected]>

enable unused_variable warning as error on Windows

47f40b80c483aefe6b9a1eab6b6d02a8a04a156b authored almost 2 years ago by bielow <[email protected]>

Merge branch 'develop' into feature/new_cyclophosphate

bbb16fb5f543fb8950865150846c4876a5b7c2d5 authored almost 2 years ago by Samuel Wein <[email protected]>

Merge pull request #6140 from OpenMS/timosachsenberg/filefilter-added-6138

[FEATURE] FileFilter: added option to remove hulls

2d1ec37d9b908eaf4347a39934f1b39d695206fe authored almost 2 years ago by Samuel Wein <[email protected]>

Merge pull request #6364 from OpenMS/pyoms/interface

[PYOPENMS] cleanup interfaces

2bd127070223c54ec146da569cceb8336f6dbb2b authored almost 2 years ago by Samuel Wein <[email protected]>

Merge branch 'develop' into pyoms/interface

024fa484d9f15549e4eb84ebdeac59ee69035e07 authored almost 2 years ago by Samuel Wein <[email protected]>

Merge pull request #6341 from poshul/feature/nase_debug

Feature/nase debug

fce7ae6693d5253bdbad53ef08641f76611f6457 authored almost 2 years ago by Samuel Wein <[email protected]>

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

cf67cfc2308a3c5130a1aeac2bc7fbad8b1ff704 authored almost 2 years ago by Samuel Wein <[email protected]>

Merge branch 'develop' into idfile-json-export

bc9fe006ca1d77b62593f9ca062729ba39896436 authored almost 2 years ago by Samuel Wein <[email protected]>

Merge pull request #6312 from poshul/NASE_charge_fix

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

fec8d6faefccaa459f97bd7ee047346e9424cd00 authored almost 2 years ago by Samuel Wein <[email protected]>

Merge pull request #6388 from axelwalter/feature/ffmid-compound-access-attributes

[Feature] add getters for FFMIDCompound attributes

fc727b6fee5884e1a520835d6c819193955c3d86 authored almost 2 years ago by Samuel Wein <[email protected]>

Merge branch 'develop' into feature/ffmid-compound-access-attributes

58b5ef61f3ea0bdb78eb7b338cf0d72e4b1ac7ee authored almost 2 years ago by Samuel Wein <[email protected]>

Merge branch 'develop' into fix/FFMI_segfault

3be323777a92eed2580c5430bd8b8da097588b79 authored almost 2 years ago by Samuel Wein <[email protected]>

Merge branch 'develop' into fix/deb

0e7cca03bf0a392acc2820efba8954b0a7869acb authored almost 2 years ago by Samuel Wein <[email protected]>

Merge branch 'develop' into feature/new_cyclophosphate

471bad511408aebf51b89d01a28770511d720321 authored almost 2 years ago by Samuel Wein <[email protected]>

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

dee3a16b0037f00a9173e545a6d5b0371e8b918f authored almost 2 years ago by JeeH-K <[email protected]>

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

84878de9ba6926d82b5f6340431d446d34af7461 authored almost 2 years ago by JeeH-K <[email protected]>

remove unused variables

fe79f05c2f565451f9d08a9ada5f35ece6a4f0cf authored almost 2 years ago by bielow <[email protected]>

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

f0a9431a2943bb2f73a49b299beaade51f167369 authored almost 2 years ago by bielow <[email protected]>

fix tests

f805b52435e7635f3a640cd912480f0b50f47030 authored almost 2 years ago by bielow <[email protected]>

Merge branch 'develop' into refact_toppview

fa29d9d5fe54c9c337a0b02505fe49effe75bf32 authored almost 2 years ago by Samuel Wein <[email protected]>

Merge pull request #6358 from rahul799/fix-docstrings

fixing docstrings

050c33309ab23af3fab217a6bf9867c965323116 authored almost 2 years ago by Julianus Pfeuffer <[email protected]>

Merge pull request #6389 from OpenMS/feature/SSE

write identifier in SSE

12477447243f7e6084e00fa06a6054e7994e0d54 authored almost 2 years ago by Julianus Pfeuffer <[email protected]>

Fix docstrings

4e41abd4a49052549aa9f4547fb8ed1bd534b14d authored almost 2 years ago by Julianus Pfeuffer <[email protected]>

Merge pull request #6394 from OpenMS/win_install_fixes

Win install fixes

0d54c0f29309e60a729aa9b819a5f9a76315a645 authored almost 2 years ago by Samuel Wein <[email protected]>

Merge branch 'develop' into win_install_fixes

0fe7b9a96a23f7cf902933d91c660bb4ec8eb285 authored almost 2 years ago by Samuel Wein <[email protected]>

more fixes

7a70dc3c49c0aa9207e50a8adc6425a73596ab76 authored almost 2 years ago by bielow <[email protected]>

[feature] enable 3' cyclophosphate as a RNA mod

93e5cbf3640194bedb8f0bb4a378cdb36984b301 authored almost 2 years ago by Samuel Wein <[email protected]>

[fix] remove trailing slash in nsis builder

d38393251707d4329d0a74492212ac0bfb840fe5 authored almost 2 years ago by Samuel Wein <[email protected]>

Add default to be compatible

1d08aa229fad8b4c2d666ddcd8a8958e1c852ef0 authored about 2 years ago by Julianus Pfeuffer <[email protected]>

fix interface for new autowrap version

6feb5a88aaa790de65cf21fed2ade216f52e9389 authored about 2 years ago by Julianus Pfeuffer <[email protected]>

support newest autowrap

c1f258367453b2f2e9151bc624cb2a6d910812fc authored about 2 years ago by Julianus Pfeuffer <[email protected]>

Update CMakeLists.txt

f1711f1fb590eb04329911dba57230fa7c05bf46 authored about 2 years ago by Samuel Wein <[email protected]>

Update NSIS.template.in

12a4f5e6656f257036191170966699c36414fa89 authored about 2 years ago by Samuel Wein <[email protected]>

[fix] correct plugins dir for qt, copy over qt.conf

8bf7e77012343b4184471013b89d8b38c148657b authored about 2 years ago by Samuel Wein <[email protected]>

[fix] fix destination folder for qsqlite

da7bdb92853308a4e2576a429f53213bd2b64f21 authored about 2 years ago by Samuel Wein <[email protected]>

[FIX] Fixed CMake error where user set VC_REDIST_EXE was ignored

5197259e4b4379037480d72702dc0b5b6a103b1f authored about 2 years ago by Samuel Wein <[email protected]>

[fix] add qsqlite dll to cmake list

8e48e2c4dfd916fb8af0f28c3c8c3dfb7a0c380f authored about 2 years ago by Samuel Wein <[email protected]>

fix compile errors/warnings

5bf78ab6c418ae1d020bd613e10318f2c86b251a authored about 2 years ago by bielow <[email protected]>

fix more compile errors

dc7f293ad7900347e0ef27caa53a3e985f34cd46 authored about 2 years ago by bielow <[email protected]>

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

f4278aca07c8eabac2638d6d6750d9179526d0a9 authored about 2 years ago by bielow <[email protected]>

fix compile errors

3460829c6a3b46f6a1b85a165a689f275c67a9ed authored about 2 years ago by bielow <[email protected]>

write identifier in SSE

94e4e98610079140459be0be05658b8109e461bf authored about 2 years ago by timosachsenberg <[email protected]>

Merge branch 'develop' into refact_toppview

bfdc9a486d9291d5ed5d993fb605da40032455ed authored about 2 years ago by Chris Bielow <[email protected]>

make public member variables private

a5775c2d36f92fd3395da26f1decbfeca2415174 authored about 2 years ago by axelwalter <[email protected]>

Update src/pyOpenMS/pxds/FeatureFinderAlgorithmMetaboIdent.pxd

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

00ea1df1c04f6e0e74ed926e0b6973e8f61b456a authored about 2 years ago by axelwalter <[email protected]>

Update src/openms/include/OpenMS/TRANSFORMATIONS/FEATUREFINDER/FeatureFinderAlgorithmMetaboIdent.h

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

c74ec21758983eb51f2495dd603a0a4f5c1d3392 authored about 2 years ago by axelwalter <[email protected]>

Merge branch 'develop' into fix/FFMI_segfault

1b374799685dbb9adf48405be814967bf2c76cd7 authored about 2 years ago by Samuel Wein <[email protected]>

Update package_deb.cmake

94ec9af36b31f67a85ac7ae4c50ec8d6d00f24a9 authored about 2 years ago by Samuel Wein <[email protected]>

add getters for FFMIDCompound attributes

3ee63b3757aa0af3d1408e2bdfe10db5a3ea2872 authored about 2 years ago by axelwalter <[email protected]>

Fix deb dependencies for qsql

Add dependencies for qt5sql.

a6ab60af3c1114f7ddb2af9a5a4a1f1567d9da5b authored about 2 years ago by Samuel Wein <[email protected]>

gitpod yml fixes/cleanup

93625e74fee8dea5e3722d7660836a0947e40158 authored about 2 years ago by jpfeuffer <[email protected]>

missing extensions gitpod

a52698cae352a50c110999fd7795a3e2575a82f1 authored about 2 years ago by jpfeuffer <[email protected]>

Try to trigger gitpod rebuild

60b56dc00ea243a08cd99a94b90f63dab897d61a authored about 2 years ago by Julianus Pfeuffer <[email protected]>

Update .gitpod.Dockerfile

11e7705d748d7d7ee6dfa12c2dfffea006919bf8 authored about 2 years ago by Julianus Pfeuffer <[email protected]>

try to fix link in pyopenms special docstring

cf459cd9c3fb9b77ba3472df5545b484b8136a13 authored about 2 years ago by Julianus Pfeuffer <[email protected]>

Merge pull request #6379 from cbielow/fix_doc22

[DOC] fixes

17063929f01304a15d5f77dd016e2686cfd2e197 authored about 2 years ago by Julianus Pfeuffer <[email protected]>

Merge pull request #6384 from jpfeuffer/upd/submodules2

update contrib

b787c7c8d03a8df94940089d188c99cd50a8e34e authored about 2 years ago by Julianus Pfeuffer <[email protected]>

update contrib

339e0b52aab0714c36849c59ed0d560294ca44e6 authored about 2 years ago by Julianus Pfeuffer <[email protected]>