CodeEntropy.entropy.nodes.configurational module

Node for computing configurational entropy from conformational states.

class CodeEntropy.entropy.nodes.configurational.ConfigurationalEntropyNode[source]

Bases: object

Compute configurational entropy using precomputed conformational states.

This node reads conformational state assignments from shared_data and computes entropy contributions at different structural levels.

Results are written back into shared_data["configurational_entropy"].

run(shared_data: MutableMapping[str, Any], **_: Any) dict[str, Any][source]

Execute configurational entropy calculation.

Parameters:

shared_data – Shared workflow state dictionary.

Returns:

Dictionary containing configurational entropy results.

Raises:

KeyError – If required keys are missing.