Update code/add_structure.py

code/add_structure.py

@@ -302,6 +302,7 @@ def match3DModels(data):
     for i in data.index:
         pos = int(data.at[i, 'pos'])
         coords = data.at[i, 'coordinates']
+        st.write('POS', pos, type(pos))
         if type(coords) != dict:
             coordinates = ast.literal_eval(coords)
         else:
@@ -311,9 +312,13 @@ def match3DModels(data):
         if data.at[i, 'distance'] == -1000:
             domStart = data.at[i, 'domStart']
             domEnd = data.at[i, 'domEnd']
+            st.write('domStart', domStart, type(domStart))
+            st.write('domEnd', domEnd, type(domEnd))
+            st.write(domainDistanceModels(domStart, domEnd, coordinates, pos))
             data.at[i, 'distance'] = domainDistanceModels(domStart, domEnd, coordinates, pos)
         for col in UNIPROT_ANNOTATION_COLS[0:30]:
             allDist = []
+            st.write('col', col, data.at[i, col], type(data.at[i, col]), len(data.at[i, col]))
             if (data.at[i, col] != np.NaN) & (data.at[i, col] != 'hit') &  (data.at[i, col] != '[]')&  (data.at[i, col] != []):
                 annotation_list = ast.literal_eval(data.at[i, col])
                 integer_list = [int(element) for element in annotation_list]
@@ -323,6 +328,8 @@ def match3DModels(data):
                     except KeyError:
                         coordAnnot = []
                     distance = find_distance(coordMut, coordAnnot)
+                    st.write('DISTANCE')
+                    st.write(distance)
                     allDist.append(distance)
 
                 if len(allDist)>0: