pull_analysis | MDFactory

Helper functions for pulling analysis data from database.

AvailableTables

funclist_available_tables() → AvailableTables

List available analysis and artifact tables that exist in database.

Returns

AvailableTables

Mapping with analysis names, artifact names, and overview-table presence.

func_query_table(table_name, **filters) → pd.DataFrame

Query a table with optional filters, removing placeholders.

paramtable_namestr

Table/database name to query

paramfiltersAny

= {}

Returns

pandas.DataFrame

Records matching filters with placeholders removed

funcpull_overview(hash=None, simulation_type=None, item_type=None, item_name=None) → pd.DataFrame

Pull data from overview table with optional filters.

paramhashstr | None

= None

Filter by simulation hash

paramsimulation_typestr | None

= None

Filter by simulation type

paramitem_typestr | None

= None

Filter by "analysis" or "artifact"

paramitem_namestr | None

= None

Filter by item name

Returns

pandas.DataFrame

Overview records matching filters

funcpull_analysis(analysis_name, hash=None, simulation_type=None, decode_data=False) → pd.DataFrame | dict[str, pd.DataFrame]

Pull analysis data from a specific analysis table.

paramanalysis_namestr

Analysis name (e.g., 'area_per_lipid')

paramhashstr | None

= None

Filter by simulation hash

paramsimulation_typestr | None

= None

Filter by simulation type

paramdecode_databool

= False

If True, decode data_csv column to actual DataFrames. Returns a dict with decoded data instead of DataFrame.

Returns

pd.DataFrame | dict[str, pd.DataFrame]

Analysis records matching filters, or decoded data if decode_data=True

funcpull_artifact(artifact_name, hash=None, simulation_type=None) → pd.DataFrame

Pull artifact metadata from a specific artifact table.

paramartifact_namestr

Artifact name (e.g., 'bilayer_snapshot')

paramhashstr | None

= None

Filter by simulation hash

paramsimulation_typestr | None

= None

Filter by simulation type

Returns

pandas.DataFrame

Artifact records matching filters

funcdecode_analysis_data(df) → dict[str, pd.DataFrame]

Decode data_csv column from analysis records.

paramdfpd.DataFrame

DataFrame with data_csv column

Returns

dict

{hash: decoded_dataframe}

funcformat_analysis_summary(df) → pd.DataFrame

Format analysis records for CLI display.

Excludes large data columns (data_csv) for readable output.

paramdfpd.DataFrame

Analysis records

Returns

pandas.DataFrame

Formatted DataFrame without large columns

funcformat_overview_summary(df) → pd.DataFrame

Format overview records for CLI display.

paramdfpd.DataFrame

Overview records

Returns

pandas.DataFrame

Formatted DataFrame

funcpull_systems_with_analyses(analysis_name=None, status=None, simulation_type=None) → pd.DataFrame

Pull summary of which systems have which analyses completed.

Joins overview data to provide a pivot-like view.

paramanalysis_namestr | None

= None

Filter to specific analysis

paramstatusstr | None

= None

Filter by status ("completed" or "not_yet_run")

paramsimulation_typestr | None

= None

Filter by simulation type

Returns

pandas.DataFrame

Summary with hash, simulation_type, and analysis completion status