Check mutations

app.py

@@ -82,7 +82,32 @@ def process_inputs(inputs, temp_dir):
     
     muts = list(map(lambda x: x.strip(), muts.split(';')))
 
-    return pdb_path, ppi_path, muts
+    # Basic format
+    try:
+        muts = list(map(lambda m: Mutation.from_str(m), muts.split(';')))
+    except Exception as e:
+        raise gr.Error(f'Mutations parsing failed: {e}.')
+    
+    # Partners
+    for mut in muts:
+        for pmut in mut.muts:
+            if pmut.chain not in partners:
+                raise gr.Error(f'Chain of point mutation {pmut} from {mut} is not in the list of partners {partners}.')
+    
+    # Consistency with provided .pdb
+    muts_on_interface = []
+    for mut in muts:
+        if mut.wt_in_pdb(ppi_path):
+            val = True
+        elif mut.wt_in_pdb(pdb_path):
+            val = False
+        else:
+            raise gr.Error(f'Wild-type of mutation {mut} is not in the provided .pdb file.')
+        muts_on_interface.append(val)
+
+    muts = [str(m) for m in muts]
+
+    return pdb_path, ppi_path, muts, muts_on_interface
 
 
 def plot_3dmol(pdb_path, ppi_path, muts, attn, mut_id=0):