From f3501bf01de7fba3d97741b9389c555f11b0df02 Mon Sep 17 00:00:00 2001
From: Gabriel Studer <gabriel.studer@unibas.ch>
Date: Thu, 1 Sep 2022 12:59:13 +0200
Subject: [PATCH] add JSONSummary function to chain_mapping.MappingResult class
---
modules/mol/alg/pymod/chain_mapping.py | 17 ++++++++++++++++-
1 file changed, 16 insertions(+), 1 deletion(-)
diff --git a/modules/mol/alg/pymod/chain_mapping.py b/modules/mol/alg/pymod/chain_mapping.py
index 1d64e8748..844e0052c 100644
--- a/modules/mol/alg/pymod/chain_mapping.py
+++ b/modules/mol/alg/pymod/chain_mapping.py
@@ -63,7 +63,7 @@ class MappingResult:
@property
def mapping(self):
- """ Mapping of :attr:`model` chains onto :attr:`~target`
+ """ Mapping of :attr:`~model` chains onto :attr:`~target`
Exact same shape as :attr:`~chem_groups` but containing the names of the
mapped chains in :attr:`~model`. May contain None for :attr:`~target`
@@ -88,6 +88,21 @@ class MappingResult:
"""
return self._alns
+ def JSONSummary(self):
+ """ Returns JSON serializable summary of results
+ """
+ json_dict = dict()
+ json_dict["chem_groups"] = self.chem_groups
+ json_dict["mapping"] = self.mapping
+ json_dict["alns"] = list()
+ for aln in self.alns.values():
+ trg_seq = aln.GetSequence(0)
+ mdl_seq = aln.GetSequence(1)
+ aln_dict = {"trg_ch": trg_seq.GetName(), "trg_seq": str(trg_seq),
+ "mdl_ch": mdl_seq.GetName(), "mdl_seq": str(mdl_seq)}
+ json_dict["alns"].append(aln_dict)
+ return json_dict
+
class ReprResult:
--
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