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Expand file tree Collapse file tree Original file line number Diff line number Diff line change @@ -586,6 +586,8 @@ def _kabsch_rmsd(pa: np.ndarray, pb: np.ndarray) -> float:
586586 mirror images can be superimposed with a true rotation (d = +1) for
587587 at least one candidate.
588588 """
589+ if len (pa ) == 0 :
590+ return 0.0
589591 U , S , Vt = np .linalg .svd (pb .T @ pa )
590592 d = np .linalg .det (U ) * np .linalg .det (Vt )
591593
@@ -2903,7 +2905,7 @@ def _write_priority_log(self, priority_log: str) -> None:
29032905 node_pair_count : dict [int , int ] = {}
29042906 for item in self .queue .export_queue_status ():
29052907 nid = item ["node_id" ]
2906- node_priority [nid ] = item ["priority" ]
2908+ node_priority [nid ] = max ( node_priority . get ( nid , 0.0 ), item ["priority" ])
29072909 node_pair_count [nid ] = node_pair_count .get (nid , 0 ) + 1
29082910
29092911 with open (priority_log , "w" , encoding = "utf-8" ) as fh :
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