def add_target_feats_to_decoy(target: dict, decoy: Data):
decoy.casp_ed = target["casp_ed"]
decoy.target_id = target["target_id"]
decoy.n_nodes = decoy.num_nodes
decoy.n_edges = decoy.num_edges
decoy.msa_feats = target["msa_feats"]
decoy.aa = target["sequence"]
if decoy.num_nodes == 0:
# If a graph has 0 nodes and it's put last in the the batch formed by
# Batch.from_data_list(...) it will cause a miscount in batch.num_graphs
logger.warning(
f"Found graph with 0 nodes: {decoy.casp_ed}/{decoy.target_id}/{decoy.decoy_id}"
)
def add_target_feats_to_decoy(target: dict, decoy: Data):
"""
Some features are shared between all decoys of a target,
e.g. casp_ed, target_id, aa sequence, msa_features.
Args:
target:
decoy:
Returns:
"""
decoy.casp_ed = target.get("casp_ed", target.get("dataset_id"))
decoy.target_id = target["target_id"]
decoy.n_nodes = decoy.num_nodes
decoy.n_edges = decoy.num_edges
decoy.msa_feats = target["msa_feats"]
decoy.aa = target["sequence"]
if decoy.num_nodes == 0:
# If a graph has 0 nodes and it's put last in the the batch formed by
# Batch.from_data_list(...) it will cause a miscount in batch.num_graphs
logger.warning(
f"Found graph with 0 nodes: {decoy.casp_ed}/{decoy.target_id}/{decoy.decoy_id}"
)
