Fix: V0.66 Remove possible redundancy in target reference assignments

rcsb · Aug 14, 2021 · 9e341b3 · 9e341b3
1 parent 255ec8b
commit 9e341b3
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Showing 3 changed files with 16 additions and 2 deletions.
diff --git a/HISTORY.txt b/HISTORY.txt
@@ -55,4 +55,5 @@
  3-Aug-2021 - V0.63 Add backup option for nonbuildable caches
  4-Aug-2021 - V0.64 Update dependencies and logging verbosity
 13-Aug-2021 - V0.65 Remove possible redundancy in target cofactor data
-
+13-Aug-2021 - V0.66 Remove possible redundancy in target reference assignments
+#
diff --git a/rcsb/utils/dictionary/DictMethodEntityHelper.py b/rcsb/utils/dictionary/DictMethodEntityHelper.py
@@ -1998,7 +1998,12 @@ def buildRelatedTargetReferences(self, dataContainer, catName, **kwargs):
                         continue
                     eId = entryId + "_" + entityId
                     tDL = self.__chemblP.getTargets(eId)
+                    dupD = {}
                     for tD in tDL:
+                        if tD["query_id"] in dupD:
+                            continue
+                        dupD[tD["query_id"]] = entityId
+                        #
                         entityBegSeqId = ";".join([str(tD["entity_beg_seq_id"]) for tD in tD["aligned_target"]])
                         targetBegSeqId = ";".join([str(tD["target_beg_seq_id"]) for tD in tD["aligned_target"]])
                         alignLength = ";".join([str(tD["length"]) for tD in tD["aligned_target"]])
@@ -2024,7 +2029,11 @@ def buildRelatedTargetReferences(self, dataContainer, catName, **kwargs):
                         continue
                     eId = entryId + "_" + entityId
                     tDL = self.__dbP.getTargets(eId)
+                    dupD = {}
                     for tD in tDL:
+                        if tD["query_id"] in dupD:
+                            continue
+                        dupD[tD["query_id"]] = entityId
                         entityBegSeqId = ";".join([str(tD["entity_beg_seq_id"]) for tD in tD["aligned_target"]])
                         targetBegSeqId = ";".join([str(tD["target_beg_seq_id"]) for tD in tD["aligned_target"]])
                         alignLength = ";".join([str(tD["length"]) for tD in tD["aligned_target"]])
@@ -2050,7 +2059,11 @@ def buildRelatedTargetReferences(self, dataContainer, catName, **kwargs):
                         continue
                     eId = entryId + "_" + entityId
                     tDL = self.__phP.getTargets(eId)
+                    dupD = {}
                     for tD in tDL:
+                        if tD["query_id"] in dupD:
+                            continue
+                        dupD[tD["query_id"]] = entityId
                         entityBegSeqId = ";".join([str(tD["entity_beg_seq_id"]) for tD in tD["aligned_target"]])
                         targetBegSeqId = ";".join([str(tD["target_beg_seq_id"]) for tD in tD["aligned_target"]])
                         alignLength = ";".join([str(tD["length"]) for tD in tD["aligned_target"]])

diff --git a/rcsb/utils/dictionary/__init__.py b/rcsb/utils/dictionary/__init__.py
@@ -2,4 +2,4 @@
 __author__ = "John Westbrook"
 __email__ = "[email protected]"
 __license__ = "Apache 2.0"
-__version__ = "0.65"
+__version__ = "0.66"