added my sample 3pl1 json file with 4 muts to test the json validator

test_tt_3pl1_example.py

@@ -0,0 +1,28 @@
+#!/usr/bin/env python3
+# -*- coding: utf-8 -*-
+"""
+Created on Fri Nov 11 11:18:52 2022
+
+@author: tanu
+"""
+from validator.validator import Validator
+from validator.residue_index import ResidueIndexes
+
+#validator = Validator("ProKinO") # Same as in the JSON
+validator = Validator("FoldX") # Same as in the JSON
+validator.load_schema()
+print("Schema loaded successfully")
+
+validator.load_json("tt_3pl1_example.json")
+#print("Loaded json file successfully")
+
+if validator.basic_checks() and validator.validate_against_schema():
+    # Passed data validations
+    print('Passed schema validation')
+    residue_indexes = ResidueIndexes(validator.json_data)
+    if residue_indexes.check_every_residue():
+        # Passed the index validation
+        print('Passed index validation')
+else:
+    print('Failed schema validation')
+    print(validator.error_log)

tt_3pl1_example.json

@@ -0,0 +1,87 @@
+{
+  "data_resource": "FoldX",
+  "resource_version": "5.0",
+  "software_version": "5.0",
+  "resource_entry_url": "http://foldxsuite.crg.eu/",
+  "pdb_id": "3PL1",
+  "chains": [
+    {
+      "residues": [
+        {
+          "pdb_res_label": "10",
+          "aa_type": "GLN",
+          "site_data": [
+            {
+              "site_id_ref": 1,
+              "confidence_score": 1,
+              "confidence_classification": "curated",
+              "raw_score": 3.9475,
+              "raw_score_unit": "kcal/mol",
+              "aa_variant": "GLY"
+            },
+            {
+              "site_id_ref": 2,
+              "confidence_score": 1,
+              "confidence_classification": "high",
+              "raw_score": 2.88633,
+              "raw_score_unit": "kcal/mol",
+              "aa_variant": "ALA"
+            }
+          ]
+        },
+        {
+          "pdb_res_label": "11",
+          "aa_type": "ASN",
+          "site_data": [
+            {
+              "site_id_ref": 3,
+              "confidence_score": 1,
+              "confidence_classification": "curated",
+              "raw_score": 1.15843,
+              "raw_score_unit": "kcal/mol",              
+              "aa_variant": "GLY"
+            }
+          ]
+        },
+        {
+          "pdb_res_label": "12",
+          "aa_type": "ASP",
+          "site_data": [
+            {
+              "site_id_ref": 4,
+              "confidence_score": 1,
+              "confidence_classification": "high",
+              "raw_score": 1.71712,
+              "aa_variant": "GLY"
+            }
+          ]
+        }
+      ],
+      "chain_label": "A"
+    }
+  ],
+  "sites": [
+    {
+      "site_id": 1,
+      "label": "ddG"
+    },
+    {
+      "site_id": 2,
+      "label": "ddG"
+    },
+    {
+      "site_id": 3,
+      "label": "ddG"
+    },
+    {
+      "site_id": 4,
+      "label": "ddG"
+    }
+  ],
+  "evidence_code_ontology": [
+    {
+      "eco_term": "computational experiment",
+      "eco_code": "ECO_0000006"
+    }
+  ]
+}