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NOTES.md

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Desired capabilities (initial) [COMPLETE]

In either 'Basic Search and Retrieve' or 'Chemistry Search' mode:

  • input: 'ICSD Collection Code', output: folder corresponding to the entry, with the CIF file, data parsed from 'Detailed View', and (preferably) a screenshot
  • input: 'Composition' and/or 'Number of Elements', output: folders (with relevant data as above) corresponding to each entry resulting from the query

Structure of the project

|- LICENSE |- README.md |- requirements.txt |- NOTES.md |- queryer.py |- tags |-- query_tags.yml |-- parse_tags.yml |- docs |-- index.rst |-- [other doc files] |- tests |-- test_queryer.py |-- [other test files]