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Update to hdxms-datasets version 0.3.2 - #379

Merged

Jhsmit merged 60 commits into

masterfrom

hdxms_datasets_v031

Dec 17, 2025

Merged

Update to hdxms-datasets version 0.3.2#379
Jhsmit merged 60 commits into
masterfrom
hdxms_datasets_v031

Commits on Dec 10, 2025
- add peptide pool reader
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  bef7ef2
- add narwhals dep
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  fb48d2c
- aggregate hd examiner
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  fe60b2c
- test script (to be removed)
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  1843631
- add hd examiner input type
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  d123cfa
Commits on Dec 11, 2025
- update contructor to take 031 datasets
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  ff4c415
- classmethod takes cls parameter
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  2ad2544
- some parts of hdexaminer data input are now working
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  0822176
Commits on Dec 16, 2025
- remove old constructor method
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  7662776
- pull loading peptides out into function
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  4c7bdb2
- load full dataset, reuse fd control if missing in some states
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  9eb073f
- add openHDX test data
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  5b91077
- parse states directly
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  41cc6e9
- make hdxmeasurementset also accept list of states
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  e918e0b
- add example of loading from hdxms-datasets State objects
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  e92d1a3
- update initial guesses example
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  fac671d
- fix: rename to state
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  fb40b4b
- remove spec download button
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  3a8aa96
- adapt to loading v031 datasets
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  7416ffd
- update cli commands
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  da5bc14
- load via HDXmeasurementSet
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  1c3bec7
- add main app for testing
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  5fcc94e
- allow use of openHDX datasets via .zip file
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  d6970b1
- add missing compute step to yield uptake from cluster files
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  938ffb0
- update tests
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  f7d6f78
- update single controller test script
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  aed08ba
- remove duplicate line
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  e437bff
- add development docs
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  f0ca5e4
- delete old file
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  17e14b4
- update template
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  0506e6a
- loading from dataset
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  5feaaa6
Commits on Dec 17, 2025
- drop nulls
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  1af27dc
- add dataclass for manual entries
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  48f28c1
- rename add_dataset_button to add_measurement_button for clarity
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  e5ce6f5
- time conversion is done by hdxms-datasets
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  e117dca
- remove outdate state spec
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  e65c083
- fix manually adding data
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  5522c59
- rerun fitting example
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  81ac81c
- rerun docs examples
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  adce3dd
- add reading to narwhals dataframe method
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  957ea65
- clean up imports
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  52ed5e7
- remove filter_peptides in favour of the one in pyhdx.legacy
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  873a89d
- removed unused import
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  151a6c9
- allow passing d_percentage as kwarg
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  2ecf1d2
- update d fit output to correct for not including t=0
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  73796dc
- fix tests
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  4bdaee5
- allow passing d percentage
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  25705bd
- remove unused import of filter_peptides
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  d7beacc
- fix gui tests
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  cfe079d
- docs: fix spelling
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  4edcb89
- add testing .zip file
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  bde0dda
- update GUI test data
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  bb937f5
- bump hdxms-datasets requirement
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  a51f9b9
- support python versions 3.11 and 3.12
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  b1b6dee
- dont use conda install
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  ed7154c
- update requirements for python 3.11 and 3.12
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  e17bebb
- fix python version lower bound
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  c7e3eb1
- support py311 only
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  7f4c4f9
- ruff auto fix
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  d5f4d42
- bump hdxms-datasets requirement
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  2dd8d04

Commits

Commits on Dec 10, 2025

Commits on Dec 11, 2025

Commits on Dec 16, 2025

Commits on Dec 17, 2025