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Use hdf5 or nexus file in XRD #113

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Use hdf5 or nexus file in XRD #113

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898e3fe
updated plugin structure
aalbino2 Aug 19, 2024
2f81aa5
added pynxtools dependency
aalbino2 Aug 19, 2024
103076b
Apply suggestions from Sarthak's code review
aalbino2 Aug 20, 2024
a42a707
ruff linting
aalbino2 Aug 20, 2024
48be124
Ruff linting 2
ka-sarthak Aug 20, 2024
282c48f
Apply suggestions from code review
aalbino2 Aug 20, 2024
bc29a43
changed xrd parser folder
aalbino2 Aug 21, 2024
581a77d
last fixes and descriptions
aalbino2 Aug 21, 2024
cdc749d
description of general schema
aalbino2 Aug 21, 2024
ce2a364
changed general package into a module
aalbino2 Aug 21, 2024
dfb04b9
Implement write nexus section based on the populated nomad archive
ka-sarthak Jun 11, 2024
78fe74a
Update path of populate_nexus_subsection
ka-sarthak Aug 27, 2024
380d21a
app def missing. (#108)
RubelMozumder Aug 28, 2024
b3b90f3
Run Python test action for all PR
ka-sarthak Aug 29, 2024
266f251
Fix for rebasing issues
ka-sarthak Sep 3, 2024
f82d4a7
Use hdf5 references for arrays (#118)
ka-sarthak Jan 14, 2025
2d02036
Adding nexus in ref (#150)
RubelMozumder Dec 20, 2024
62569dd
Move common functionality to resolve_path
ka-sarthak Dec 20, 2024
6e47b5b
Allow reading with dataset_path alone
ka-sarthak Jan 7, 2025
56abe1e
Allow reading with archive paths
ka-sarthak Jan 14, 2025
3b3cde9
Never reset the instance variables
ka-sarthak Jan 14, 2025
162f587
Final file writing when the instance is deleted
ka-sarthak Jan 14, 2025
9573636
Reduce write_file calls to one
ka-sarthak Jan 14, 2025
369dc72
Fix: set hard links for internal ref
ka-sarthak Jan 15, 2025
aa0277c
remove del method; fix test
ka-sarthak Jan 15, 2025
a71db65
Combine nexus dataset map
ka-sarthak Jan 16, 2025
0fed11a
Ruff
ka-sarthak Jan 16, 2025
0a055cc
Make Auxiliary file name without raw file ext
ka-sarthak Jan 16, 2025
2266237
Add cleanup extensions for fixture
ka-sarthak Jan 16, 2025
f484fd8
Use bool in ELN to control raw file updation
ka-sarthak Jan 16, 2025
05df712
Remove 'file and entry deletion'
ka-sarthak Jan 20, 2025
c6c891d
remove defaults: trigger write if file is missing
ka-sarthak Jan 20, 2025
7537466
Minor
ka-sarthak Jan 20, 2025
5fc0a8d
Set hdf5 references at add_dataset stage
ka-sarthak Jan 21, 2025
49c6f41
Reset on trigger for main branch PR only
ka-sarthak Jan 21, 2025
af89f3b
abstract out set hdf5 ref
ka-sarthak Jan 23, 2025
965a91a
Comment out nexus, TODOs, docstrings
ka-sarthak Jan 23, 2025
5308370
Reprocess nxs entry
ka-sarthak Jan 23, 2025
1682c94
Handle missing dataset in add step
ka-sarthak Jan 23, 2025
96bdf07
Comment out import
ka-sarthak Jan 23, 2025
ab1081d
Review: sourcery
ka-sarthak Jan 24, 2025
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3 changes: 2 additions & 1 deletion pyproject.toml
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Original file line number Diff line number Diff line change
Expand Up @@ -35,9 +35,10 @@ maintainers = [
]
license = { file = "LICENSE" }
dependencies = [
"nomad-lab>=1.3.6",
"nomad-lab>=1.3.6",
"xmltodict==0.13.0",
"fairmat-readers-xrd>=0.0.3",
"pynxtools@git+https://github.com/FAIRmat-NFDI/pynxtools.git@master",
"nomad-material-processing",
"fairmat-readers-transmission",
]
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