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

Replace OpenMS::Map with std::map

52f999cb12512ebe2316f3b93275b03608e2f11b authored over 2 years ago by matteopilz <[email protected]>

new isotope interface working

a4c17c59796c7d06f3657cb20f1a36feca01fe34 authored over 2 years ago by Tom Waschischeck <[email protected]>

fix tests by adding new parameter

d5af4a0a43ea46314d104fc7f0c4139f36230672 authored over 2 years ago by bielow <[email protected]>

new interface for isotopes, only gui

4e8c9025c597c6c96fb38c02d372c526b9473488 authored over 2 years ago by Tom Waschischeck <[email protected]>

Merge pull request #5860 from cbielow/fix_fileTypeSelection

GUI: improvements, mostly better File-save dialogs

621e338ed00cb96723d8a211bef5ec0004bc06fe authored over 2 years ago by Timo Sachsenberg <[email protected]>

copy paste error

6f40c82c24b781f201537b3e355b29ada6475bf9 authored over 2 years ago by Julianus Pfeuffer <[email protected]>

[FIX] add tests and allow Asp/Pro cleavage even for 'no cleavage'

eb69f4aefa3d26cb67ac413131a97b3c4e0b4358 authored over 2 years ago by bielow <[email protected]>

Merge branch 'feature/FLASHDeconv' into feature/FLASHDeconvOnly

c1ba00f8f4477f8afc7561ff39b37e768471f04f authored over 2 years ago by JeeH-K <[email protected]>

fix missing checkboxes, new datastructures for checkbox backend

c02ca516445da2f1189dbc5b6bcf8530478e33a5 authored over 2 years ago by Tom Waschischeck <[email protected]>

fix test

1f8eac74c6122ff0c738bae9241efb8e8beecb59 authored over 2 years ago by bielow <[email protected]>

Update GNPSExport.cpp

Corrections on bold text, code text and ref of MetaboAdductDecharger

3aca99366e0cdc58162722a4e39f1d5769714834 authored over 2 years ago by Efi Kontou <[email protected]>

Docu/iso (#5858)

* [DOC] fix documentation for isotopes

* [DOC] documentation expansion for isotopic patterns

ec3250d20e318cd569356ffee5fd976433b19aa2 authored over 2 years ago by Hannes Roest <[email protected]>

[FEATURE] add `getSaveFilename` function with predefined OpenMS data types for less boilerplate

38e8dad6a6e419b4ac86a666790f3453c6b2a500 authored over 2 years ago by bielow <[email protected]>

move FileTypes out for shorter names

6586e0bec26eee3b4c9dcf6806e2e72690dca1d1 authored over 2 years ago by bielow <[email protected]>

[TEST,FIX] add test and fix a bug in OverlapDetector

42ef18f38b4b0063d2e1c779844fa07d1c5af66f authored over 2 years ago by bielow <[email protected]>

[NOOP] move code

f80350984c731eaf3ba9b70c655ef9701e652b03 authored over 2 years ago by bielow <[email protected]>

[FEATURE] add convenience function to create a Qt file filter from OpenMS filetypes; and read back what type was selected

5c2110c2000f3394f768ec69b622e458c511304e authored over 2 years ago by bielow <[email protected]>

Feature/im pyopenms (#5827)

* add IM Types

* [PYOPENMS] drift time functions

* [PYOPENMS] add tests and function

- ...

dad3146c260d889ebf416b91ac9825b2be97c82f authored over 2 years ago by Hannes Roest <[email protected]>

more detailed error message (#5856)

c26d432c31e94edd74bc67e8dabdbf8fbd92eaff authored over 2 years ago by Timo Sachsenberg <[email protected]>

[DOC] fix documentation for isotopes (#5852)

d5f7935dcb387ead9fd119f7b535c76eb721da5c authored over 2 years ago by Hannes Roest <[email protected]>

fix compile warning

ee54aa77907abc713cafa01bdbe31d7a2850f221 authored over 2 years ago by Timo Sachsenberg <[email protected]>

[release-prep] new version iteration

3ce4524f6279f01eb7dd6520b844a91d9c693546 authored over 2 years ago by Julianus Pfeuffer <[email protected]>

new changelog iteration

f1356f937f048743a20c214b5b7b11610f133964 authored over 2 years ago by Julianus Pfeuffer <[email protected]>

Merge pull request #5855 from jpfeuffer/develop

Merge back release into develop

3ea6fc1792bc64fce25e0f511897391ad8e16aad authored over 2 years ago by Julianus Pfeuffer <[email protected]>

Merge branch 'release/2.8.0' into develop

f73a969004847f37f15500893a2d57253b338135 authored over 2 years ago by Julianus Pfeuffer <[email protected]>

Merge pull request #5846 from OpenMS/feature/nosharePYOMS

[FEATURE] No share option for pyopenms

4cd74a93ed5626ecc51ead0b90d48358e70997ac authored over 2 years ago by Julianus Pfeuffer <[email protected]>

fix warning

9fce010a3afd2f3d4cf9ab221e145998b85dfa45 authored over 2 years ago by Timo Sachsenberg <[email protected]>

Update DataValue.h (#5850)

fix copy-paste error in documentation

2e223ba7eea73e0d36fa2777e1753215c124162a authored over 2 years ago by Hannes Roest <[email protected]>

updated authors and changelog

d1b7809494e82712ed0b32493f2625106a09c47b authored over 2 years ago by zhuchcn <[email protected]>

fix (PeptideIndexing): variable name was spelled wrong

fc3c0a9fb0a22283483c2b0ee93334433665af1e authored over 2 years ago by zhuchcn <[email protected]>

fix (PeptideIndexing): updated in upstream, so changes were not added to the correct place of `allow_nterm_protein_cleavage`

575643e729948dd21bc378b6c512c3d58303d677 authored over 2 years ago by zhuchcn <[email protected]>

Merge pull request #5795 from khuenm/mutualInfoSparse

[PERFORMANCE] Rewrite mutual information calculation and remove MIToolbox

10bd462b115f2297cb62f0fe883e3fd2ed63459e authored over 2 years ago by Chris Bielow <[email protected]>

Merge pull request #5848 from OpenMS/jpfeuffer-patch-7

[FEATURE] strip files in installers with cpack

47fc5dd262f070362f4e7f4157b98b52efd990ea authored over 2 years ago by Chris Bielow <[email protected]>

[FEATURE] strip files in installers with cpack

9a206e69fcb9c55239c5ef432ab5688e2724b1c3 authored over 2 years ago by Julianus Pfeuffer <[email protected]>

[FEATURE] No share option for pyopenms

943a66f9fb9d9cb7502cc246dba7086ded8b5224 authored over 2 years ago by Julianus Pfeuffer <[email protected]>

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

957b8a43f4b6ad401e9a8a511d9966aa99e46e96 authored over 2 years ago by Timo Sachsenberg <[email protected]>

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

a041d1717f05a6f6de8a40741cae69d8699f3718 authored over 2 years ago by Timo Sachsenberg <[email protected]>

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

4d3863a38f3a520fea49534f666f2a4c91f5ef39 authored over 2 years ago by Timo Sachsenberg <[email protected]>

use std::map interface for accessing elements

e15ce035cbb25f165808e52a6e7927ca9fe60dc8 authored over 2 years ago by Timo Sachsenberg <[email protected]>

use std::map interface for accessing elements

aab5a09a331349e3b68a53343dd8570da4169270 authored over 2 years ago by Timo Sachsenberg <[email protected]>

fix (Enzymes.xml): added synonyms of "no_cut" to "no cleavage" for Comet

b1040d1a6b3b561ab4935f17e64f6efd0f083cd2 authored over 2 years ago by zhuchcn <[email protected]>

more error information in DataValue exception (#5837)

086be4c000c1d5ec75e0d0e246f63d77c156c12b authored over 2 years ago by Timo Sachsenberg <[email protected]>

fix (PeptideIndexing): variable name was spelled wrong

4d4389d9731bed2421adc38d89d6420ac969535b authored over 2 years ago by zhuchcn <[email protected]>

fix (PeptideIndexing): positional parameters missing when calling `search`

98de69ce2ee1cfdfc4fd8dbb6076e01ad765285f authored over 2 years ago by zhuchcn <[email protected]>

fix (PeptideIndexing): 1. allow users to specify nterm clip 2. when enzyme is no cleavage and specificity is full, there must be an exact match

69c2f81b904bda1e2dd38e07ee8b945b4a59bc12 authored over 2 years ago by zhuchcn <[email protected]>

comment out unused parameter

7d917cc9d5a38ccc62f3fc454da09a38e4611f50 authored over 2 years ago by Timo Sachsenberg <[email protected]>

Update SpectrumLookup.cpp

90b222243b97a979a600db7a213ec74bb16beb71 authored over 2 years ago by Julianus Pfeuffer <[email protected]>

[FIX] scan number extraction

94dea2cfff234c6fd515edd39ba4781e8289fc3a authored over 2 years ago by Julianus Pfeuffer <[email protected]>

Merge pull request #5839 from axelwalter/feature/set-thread-num-pyopenms

[Feature] set OpenMP number of threads in pyOpenMS

d3c60f6e1e0fd0d2e42cfa002bdabf8c9d0590c3 authored over 2 years ago by Julianus Pfeuffer <[email protected]>

Update src/openms/include/OpenMS/SYSTEM/BuildInfo.h

5355deb005243a6976405b277d1a984a778c9af7 authored over 2 years ago by Julianus Pfeuffer <[email protected]>

fix some compile warnings (#5838)

* fix some compile warnings

* remove from header as well

* Update TOPPViewBase.cpp

cc75c637d81f5cfddfeebe81b6546f01d7fc5676 authored over 2 years ago by Timo Sachsenberg <[email protected]>

Update src/openms/include/OpenMS/SYSTEM/BuildInfo.h

c1b155ffd6484ed9abca88d583a5585bb5226a99 authored over 2 years ago by Julianus Pfeuffer <[email protected]>

add setOpenMPNumThreads to BuildInfo

54d8dee35f9b0b961db9fce5e3348200b4e5613b authored over 2 years ago by axelwalter <[email protected]>

Update CHANGELOG

d203985c7042b885ac1085c30a2d9f36d7609b47 authored over 2 years ago by Julianus Pfeuffer <[email protected]>

forgot to bump version in test

74b2f79cc0eb46c11057f2ba0a473fe2dadbb0f0 authored over 2 years ago by Julianus Pfeuffer <[email protected]>

add extra link to LPwrapper test

3e4d308a92ead740b304abe1c3915962adae59ae authored over 2 years ago by Julianus Pfeuffer <[email protected]>

Version test

e3305910f9f38f2ccc1d8c0bc4678af348c865fd authored over 2 years ago by Julianus Pfeuffer <[email protected]>

Updated changelog

133fe606d3ae82dbfa35f5022832297328fd94e7 authored over 2 years ago by Julianus Pfeuffer <[email protected]>

Bump version

84315963eac6bcb0d2e5e780c9d3b48075bb01c0 authored over 2 years ago by Julianus Pfeuffer <[email protected]>

read version from found openms in pyopenms

29b1b6be3deb0b3ff5d998add1f941fb1335f167 authored over 2 years ago by Julianus Pfeuffer <[email protected]>

Another missing header

62a0445ca19695323f7d26a245938ed71578e93f authored over 2 years ago by Julianus Pfeuffer <[email protected]>

Major bug in MassTraceDetection.cpp has been fixed. For ms1ft output.

dcc3aa6e5f8b77cd35aa9dbf2275a33df5e1381c authored over 2 years ago by KyowonJeong <[email protected]>

Misspelled

83b9bf5c7ff2ad7bf4a3afcb3152686fc1354a89 authored over 2 years ago by Julianus Pfeuffer <[email protected]>

Add missing header to cmake

a77c272121764ef79f45fec76ab626d3df065280 authored over 2 years ago by Julianus Pfeuffer <[email protected]>

add swathmap to swath headers

59877df8ed8ae7eac039cbab05202da3c9288d1b authored over 2 years ago by Julianus Pfeuffer <[email protected]>

Update PULL_REQUEST_TEMPLATE.md (#5824)

716d1deb0c8750039d04b266c4e6b87337c278ce authored over 2 years ago by Chris Bielow <[email protected]>

Adapt test for new implementation of mutual info calculating

c7337905fe34b4369d3293d0abfcf74d6068b5df authored over 2 years ago by khue.nm <[email protected]>

Merge pull request #5822 from cbielow/tv_refactor

A Painter1D class for Peaks

dc6592789afbfb8d825e573e86456ca91a374c45 authored over 2 years ago by Chris Bielow <[email protected]>

Add SwathMap.h to CMake header list

a5680ef627b9cffeb939aa9344ce52e33a22e7bf authored over 2 years ago by Julianus Pfeuffer <[email protected]>

Merge branch 'develop' into mutualInfoSparse

151c0e1f61569512e1b6c1a6b60b2f82c6012831 authored over 2 years ago by khue.nm <[email protected]>

Merge pull request #5823 from khuenm/mutualInfoTest

[TEST] Mutual info test

292dc0311c0660af1d67341fcc516cd10aadfa95 authored over 2 years ago by Chris Bielow <[email protected]>

Add more tests

8b235fe270053dd23b539f39a97f6e46364adf83 authored over 2 years ago by khue.nm <[email protected]>

Change test equal to real_similar

8091051704a76c808b2032a6a7b52455d2bf3173 authored over 2 years ago by khue.nm <[email protected]>

[FEATURE] add a Painter Class for 1D Canvas (currently for Peak data only; as historically supported)

614ff9d83ecaa3985fd60cfaf3f1aa936d81350a authored over 2 years ago by bielow <[email protected]>

Rename labels

f9ce3bf40b0cd5ef4d693a4aceae58b4b84ca5ff authored over 2 years ago by Julianus Pfeuffer <[email protected]>

Update dockerdeploy.yml

dcb4ca5db658e9ab80fd176aa779d58fad9e513f authored over 2 years ago by Julianus Pfeuffer <[email protected]>

Update dockerdeploy.yml

25ea52f1250f08726d10307e9e11fbf89fe80f87 authored over 2 years ago by Julianus Pfeuffer <[email protected]>

[infrastructure] update to github package repository

2c9adff7758f803f2e03f49eae2dba62ce7a46c8 authored over 2 years ago by Timo Sachsenberg <[email protected]>

Rename tools to executables

ae8b519c5adbe165548da7c6fa1bef8ca4e126ea authored over 2 years ago by Julianus Pfeuffer <[email protected]>

no quotes in docker action

c61419fa734997de55b7a3e93284ae692190645a authored over 2 years ago by Julianus Pfeuffer <[email protected]>

Update dockerdeploy.yml

2d90cf0f05704dd4df9694ccf75c2480fe0c7d67 authored over 2 years ago by Julianus Pfeuffer <[email protected]>

Create dockerdeploy.yml

7b57492d04229fa8a0746adc38f5229359a162b1 authored over 2 years ago by Julianus Pfeuffer <[email protected]>

minor spelling

a30d529c0c3dc3845f7e0fb24fb18f6ca4a0e010 authored over 2 years ago by bielow <[email protected]>

clang format mostly

02a70f08d282cbab9ba3236cc43734fd4e88150b authored over 2 years ago by bielow <[email protected]>

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

56bfca1c702ac8d4989ced82dc3f9d59527213e1 authored over 2 years ago by bielow <[email protected]>

include opt

c5d31b42d061894b25649934390307e05a7d6a48 authored over 2 years ago by bielow <[email protected]>

Merge pull request #5809 from cbielow/ac_noSeqan

Optimize PeptideIndexer

932488d3cd7382c5dfe8f2eca71586d76d0d4491 authored over 2 years ago by Chris Bielow <[email protected]>

Apply suggestions from code review

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

d0702cd82bfc951314ccac37ae6d401479cf2347 authored over 2 years ago by Chris Bielow <[email protected]>

Efficiently do "defaultdict" behaviour in Map (#5816)

a035b4f0a290af594b57694a829e2e67a0363759 authored over 2 years ago by Julianus Pfeuffer <[email protected]>

Only package found optional qt plugins

004075592322d6a25f8e05443dd2057e63627313 authored over 2 years ago by Julianus Pfeuffer <[email protected]>

Merge pull request #5810 from jpfeuffer/fix/cmake

put more cmake find stuff to the beginning

5e27f8f253c60d1dab7e4651e5113ac6520adeff authored over 2 years ago by Julianus Pfeuffer <[email protected]>

Forgot to remove

4e577e20f4c9391fdee0fa55a5038b4dcf9b435d authored over 2 years ago by Julianus Pfeuffer <[email protected]>

put more cmake find stuff to the beginning

73e6b12da2ab73f7d1acf4c332a18194f2f88b1f authored over 2 years ago by Julianus Pfeuffer <[email protected]>

Update cibuild.cmake

c5eb95544693f4cd1f37d950f00fa86cac77cfb2 authored over 2 years ago by Julianus Pfeuffer <[email protected]>

invalidate contrib cache

38d9319c799ee9e4a54a390e0e04041670f5cc68 authored over 2 years ago by Julianus Pfeuffer <[email protected]>

comment out link library hack needed for setup.py (now cmake based)

53e040c5c21b90c23f654958b2430a7bbe41acbb authored over 2 years ago by Julianus Pfeuffer <[email protected]>

fix include path in install tree

c85d53dd64b8a644562e2317d4a57d820600dec3 authored over 2 years ago by Julianus Pfeuffer <[email protected]>

Add test to rankedMutualInformation

f92ef702e0673aa1ad5e1bdbe485cda3fb43f8fa authored over 2 years ago by khue.nm <[email protected]>

fix reported peptide count

1f9a477a095dd94579d57e529d3c837cb75bfec9 authored over 2 years ago by bielow <[email protected]>

move wm5 in cmake config to private too

e4ecf85586ba684c4c78e438e00b0b110718e1a2 authored over 2 years ago by Julianus Pfeuffer <[email protected]>