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CHANGELOG.md

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Changelog

v1.0.0 (2024-11-6)

  • Release version 1.0.0 of package
  • Update search schemas: 1.47.6 -> 1.47.7
  • Update data schemas:
    • entry schema 9.0.2 -> 9.0.3
    • chem_comp schema 7.1.3 -> 7.1.4
  • Update documentation

v0.5.0 (2024-10-28)

  • Separate out package-wide settings into immutable constants (const.py) and configurable parameters (config.py)
  • Renamed rcsb_attributes -> search_attributes
  • Automatically capitalize input_ids
  • Added dev_tools directory and updated update_schema.py
  • Search API chemical_schema and structure_schema at v1.47.6
  • Update documentation

v0.4.0 (2024-10-15)

  • Merge rcsbsearchapi package into package as separate rcsbapi.search module
    • Renamed several classes and methods in this process:
      • SequenceQuery -> SeqSimilarityQuery
      • StructureMotifResidue -> StructMotifResidue
      • Range -> FacetRange
      • rcsb_query_editor_url -> get_editor_link
      • rcsb_query_builder_url -> get_query_builder_link
  • Renamed several files and classes to prevent overlap with future developments:
    • data/query.py -> data/data_query.py
    • data/schema.py -> data/schema_query.py
    • Query() Data API class -> DataQuery()
    • Schema() Data API class -> DataSchema()
    • search/search.py -> search/search_query.py
    • search/schema.py -> search/search_schema.py
  • Automatically change singular "input_type" to plural when possible
  • Add warning message if fully qualified field path not provided
  • Update documentation

v0.3.0 (2024-08-23)

  • Falls back to local schema file when fetch fails
  • Supports dot separated field names for requesting data
  • get_unique_fields deleted and replaced with find_paths
  • find_field_names changed to return only field names, no descriptions
  • Executing queries called with .exec()
  • Updates to documentation
  • See PR #31 for full details
  • Updated data_api_schema.json and added all schema files on https://data.rcsb.org/#data-schema

v0.2.0 (2024-07-25)

  • Updates to Query methods
  • Added GraphQL query validation
  • Updates to documentation

v0.1.0 (2024-07-22)

  • First release!
  • Provides Pythonic interface for interacting with RCSB.org Data API
  • Automated Data API schema parsing via Schema.py
  • Enables query building and execution via Query.py
  • Documentation and example notebooks
  • See PR #23 for full details