dgpost.utils package

Submodules

• extract: extract and interpolate data into tables
  • Extract
    • Extract.into
    • Extract.from_
    • Extract.at
    • Extract.model_computed_fields
    • Extract.columns
    • Extract.constants
    • Extract.check_one_input
  • get_step()
  • get_constant()
  • extract()
  • extract_obj()
• helpers: helper functions for the transform package
• element_from_formula()
• default_element()
• name_to_chem()
• columns_to_smiles()
• electrons_from_smiles()
• pQ()
• separate_data()
• load_data()
• combine_tables()
• arrow_to_multiindex()
• keys_in_df()
• key_to_tuple()
• get_units()
• set_units()
• load: load datagrams and tables
  • Load
    • Load.as_
    • Load.path
    • Load.type
    • Load.model_computed_fields
    • Load.check
    • Load.check_is_deprecated
    • Load.lowercase_type
  • load()
• parse: YAML and JSON input handler
• parse()
• pivot: reorder tables using columns
  • Pivot
    • Pivot.table
    • Pivot.as_
    • Pivot.using
    • Pivot.model_computed_fields
    • Pivot.columns
    • Pivot.timestamp
    • Pivot.timedelta
  • pivot()
• plot: create reproducible plots from tables
  • Plot
    • Plot.table
    • Plot.nrows
    • Plot.ncols
    • Plot.model_computed_fields
    • Plot.fig_args
    • Plot.ax_args
    • Plot.style
    • Plot.save
  • apply_plot_style()
  • plt_axes()
  • plot()
• save: save and export tables into files
  • Save
    • Save.table
    • Save.as_
    • Save.model_computed_fields
    • Save.type
    • Save.columns
    • Save.sigma
  • save()
• transform: transform and calculate data in tables
  • Transform
    • Transform.table
    • Transform.model_computed_fields
    • Transform.with_
    • Transform.using
  • transform()