stringforge.vacua_writer.WriteReport

stringforge.vacua_writer.WriteReport#

class stringforge.vacua_writer.WriteReport(n_written, n_duplicates, run_ids_by_geometry, geometries)#

Bases: object

Summary returned by VacuaWriter.write_vacua() / stringforge.lcs_database.LCSDatabase.write_vacua().

n_written#

Total rows written across all geometries.

Type:

int

n_duplicates#

Rows skipped as duplicates.

Type:

int

run_ids_by_geometry#

{geometry_name: run_id}.

Type:

dict

geometries#

Geometry names written, in first-seen order.

Type:

list

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