Mercurial > repos > muon-spectroscopy-computational-project > larch_lcf
changeset 2:85284c3e1354 draft
planemo upload for repository https://github.com/MaterialsGalaxy/larch-tools/tree/main/larch_lcf commit 0f66842e802430e887d1c6cb7be1cc5436408fd2
| author | muon-spectroscopy-computational-project |
|---|---|
| date | Mon, 04 Mar 2024 11:43:39 +0000 |
| parents | 6c28339b73f7 |
| children | 6bb927e155fc |
| files | common.py larch_lcf.xml |
| diffstat | 2 files changed, 4 insertions(+), 4 deletions(-) [+] |
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--- a/common.py Wed Dec 06 13:04:01 2023 +0000 +++ b/common.py Mon Mar 04 11:43:39 2024 +0000 @@ -29,6 +29,7 @@ ) all_groups = {} for key in athena_group._athena_groups.keys(): + print(f"\nExtracting group {key}") group = get_group(athena_group, key) pre_edge_with_defaults(group=group) xftf_with_defaults(group=group) @@ -68,8 +69,7 @@ ("nnorm", "nnorm", None), ("make_flat", "flatten", None), ("step", "step", None), - # This cannot be read from file as it is not stored by Larch (0.9.71) - # ("nvict", "nvict", None), + ("nvict", "nvict", None), ) for key, parameters_key, default in keys: extract_attribute(
--- a/larch_lcf.xml Wed Dec 06 13:04:01 2023 +0000 +++ b/larch_lcf.xml Mon Mar 04 11:43:39 2024 +0000 @@ -2,9 +2,9 @@ <description>perform linear combination fit on XAS data</description> <macros> <!-- version of underlying tool (PEP 440) --> - <token name="@TOOL_VERSION@">0.9.71</token> + <token name="@TOOL_VERSION@">0.9.74</token> <!-- version of this tool wrapper (integer) --> - <token name="@WRAPPER_VERSION@">1</token> + <token name="@WRAPPER_VERSION@">0</token> <!-- citation should be updated with every underlying tool version --> <!-- typical fields to update are version, month, year, and doi --> <token name="@TOOL_CITATION@">10.1088/1742-6596/430/1/012007</token>