prolint.core.replica_detection ============================== .. py:module:: prolint.core.replica_detection .. autoapi-nested-parse:: Replica detection utilities for ProLint. Attributes ---------- .. autoapisummary:: prolint.core.replica_detection.logger prolint.core.replica_detection.SEGMENT_IDS Classes ------- .. autoapisummary:: prolint.core.replica_detection.ReplicaInfo prolint.core.replica_detection.ReplicaDetectionResult Functions --------- .. autoapisummary:: prolint.core.replica_detection.detect_replicas prolint.core.replica_detection.get_replica_atoms Module Contents --------------- .. py:data:: logger .. py:data:: SEGMENT_IDS :value: 'ABCDEFGHIJKLMNOPQRSTUVWXYZabcdefghijklmnopqrstuvwxyz0123456789' .. py:class:: ReplicaInfo Information about a single molecular replica. .. py:attribute:: replica_id :type: str .. py:attribute:: n_residues :type: int .. py:attribute:: first_resid :type: int .. py:attribute:: last_resid :type: int .. py:class:: ReplicaDetectionResult Result of replica detection analysis. .. py:attribute:: n_replicas :type: int .. py:attribute:: detection_method :type: Optional[str] .. py:attribute:: has_repeated_resids :type: bool .. py:attribute:: replica_info :type: List[ReplicaInfo] :value: [] .. py:attribute:: fragments :type: List[Any] :value: [] .. py:function:: detect_replicas(query_atoms) -> ReplicaDetectionResult Detect replicas in a query atom selection. Tries bond-based connectivity first, then falls back to residue ID replication detection for systems without bond info. .. py:function:: get_replica_atoms(replica_result: ReplicaDetectionResult, replica_id: str) Get atoms for a specific replica by ID. Raises ValueError if not found.