CodeEntropy.levels.conformation_dag module

Conformational-state DAG orchestration.

This module owns the conformational stage between static structural setup and frame-local covariance/neighbour execution.

class CodeEntropy.levels.conformation_dag.ConformationDAG(universe_operations: Any | None = None)[source]

Bases: object

Execute conformational-state construction for selected trajectory frames.

build() → ConformationDAG[source]

Build the conformational DAG topology.

Returns:

Self, to allow fluent construction.

execute(shared_data: dict[str, Any], *, progress: object | None = None) → dict[str, dict[str, Any]][source]

Compute conformational states and store them in shared workflow data.

Parameters:

  • shared_data – Shared workflow data containing reduced_universe, levels, groups, frame_selection, and args.bin_width.

  • progress – Optional progress sink forwarded to the conformation builder.

Returns:

A dictionary containing the computed conformational_states mapping.