Update code/add_structure.py

code/add_structure.py

@@ -234,23 +234,14 @@ def find_distance(coordMut, coordAnnot):
 
 def domainDistance(domStart, domEnd, coordinates, mutationPosition, matchList, posOnPDB):
     resList = list(range(domStart, domEnd))
-    st.write('resList')
-    st.write(resList)
     domainDistanceList = []
     for i in resList:
-        st.write('i', i)
-        st.write(ast.literal_eval(matchList)[str(i)])
-        st.write(coordinates[str(posOnPDB)])
-        st.write(coordinates[str(domainPos)])
-        st.write(find_distance(coordMut, coordDomain))
         try:
             domainPos = ast.literal_eval(matchList)[str(i)]
             coordMut = coordinates[str(posOnPDB)]
             coordDomain = coordinates[str(domainPos)]
             distance = find_distance(coordMut, coordDomain)
             domainDistanceList.append(distance)
-            st.write('domainDistanceList')
-            st.write(domainDistanceList)
             return min(domainDistanceList)
         except KeyError:
             domainDistanceList = np.NaN
@@ -293,13 +284,22 @@ def match3D(data):
 
 def domainDistanceModels(domStart, domEnd, coordinates, mutationPosition):
     resList = list(range(domStart, domEnd))
+    st.write('resList')
+    st.write(resList)
     domainDistanceList = []
     for i in resList:
+        st.write('i', i)
+        st.write(ast.literal_eval(matchList)[str(i)])
+        st.write(coordinates[str(posOnPDB)])
+        st.write(coordinates[str(domainPos)])
+        st.write(find_distance(coordMut, coordDomain))
         try:
             coordMut = (coordinates)[mutationPosition]
             coordDomain = (coordinates)[i]
             distance = find_distance(coordMut, coordDomain)
             domainDistanceList.append(distance)
+            st.write('domainDistanceList')
+            st.write(domainDistanceList)
             return min(domainDistanceList)
         except KeyError:
             domainDistanceList = np.NaN