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Commit a494e8b1 authored by Studer Gabriel's avatar Studer Gabriel
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compare-structures: make stereochemistry issues JSON serializable

parent e79926dd
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......@@ -353,12 +353,12 @@ def _Process(model, reference, args):
out["local_lddt"] = scorer.local_lddt
if args.lddt or args.local_lddt:
out["model_clashes"] = scorer.model_clashes
out["model_bad_bonds"] = scorer.model_bad_bonds
out["model_bad_angles"] = scorer.model_bad_angles
out["reference_clashes"] = scorer.target_clashes
out["reference_bad_bonds"] = scorer.target_bad_bonds
out["reference_bad_angles"] = scorer.target_bad_angles
out["model_clashes"] = [x.ToJSON() for x in scorer.model_clashes]
out["model_bad_bonds"] = [x.ToJSON() for x in scorer.model_bad_bonds]
out["model_bad_angles"] = [x.ToJSON() for x in scorer.model_bad_angles]
out["reference_clashes"] = [x.ToJSON() for x in scorer.target_clashes]
out["reference_bad_bonds"] = [x.ToJSON() for x in scorer.target_bad_bonds]
out["reference_bad_angles"] = [x.ToJSON() for x in scorer.target_bad_angles]
if args.cad_score:
out["cad_score"] = scorer.cad_score
......
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