[DEV] ptable_table.json generate with unified interface#4338
[DEV] ptable_table.json generate with unified interface#4338shyuep merged 96 commits intomaterialsproject:masterfrom
ptable_table.json generate with unified interface#4338Conversation
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I want to point out that ChatGPT can make this extremely easy. I passed ChatGPT the yaml and prompted it to "separate out the units of each property for each element from the value, keeping the dictionary schema consistent". Below is the result. |
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Beautiful, thanks a ton for chiming in! That would be really helpful. I would work on this likely next week, enjoy the weekend :) |
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@shyuep this PR is ready from my side, as it might be changing the core functionalities of pymatgen, I would like to push forward as slowly and carefully as possible, so I would separate the workflow into multiple steps:
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This is merged since it only affects the dev directory. Thanks. |
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No problem at all, thanks for reviewing! Yes I was trying to separate JSON generator and rewrite of JSON loader/parser for ptable.py into separate PRs. |
Summary
ptable_table.jsongeneration, [Proposal] Better periodic table dev recording (periodic_table.yaml)- One property per file? #4336bvparm2011(1d9ab4d) andperiodic_table.db(benchmark from c80afb5)JSON/YAML generation directly from source with unified parser interface
Follow up PRs
core.periodic_table.jsoncore.Element_compare_json.pyCompare new JSON with current
Save a copy of current (master branch) JSON/YAML for quick lookup (uploading YAML not allowed): master_json_yaml.zip
pymatgen/dev_scripts/periodic_table_resources/_compare_json.py