Merge branch 'master' into issue55

Author: CunliangGeng

pdb2sql/StructureSimilarity.py

@@ -978,7 +978,8 @@ def get_xyz_zone_backbone(pdb_file, resData, return_not_in_zone=False, name=['C'
             pdb_file (str): filename containing the pdb of the molecule
             resData (dict): information about the zone residues
             return_not_in_zone (bool, optional): Do we return the
-                backbone atoms not in the zone.
+                backbone atoms not in the zone and the chains used
+                in the zone.
 
         Returns:
             list(float): XYZ of of backbone atoms in the zone.
@@ -1025,7 +1026,7 @@ def get_data_zone_backbone(pdb_file, resData, return_not_in_zone=False, name=['C
             pdb_file (str): filename containing the pdb of the molecule
             resData (dict): information about the zone residues
             return_not_in_zone (bool, optional): Do we return the atoms
-                not in the zone
+                not in the zone and the chains used in the zone
 
         Returns:
             set(float): data of the backbone atoms in the zone

pdb2sql/pdb2sqlcore.py

@@ -569,7 +569,7 @@ def get(self, columns, tablename='ATOM', **kwargs):
 
         # empty data
         if len(data) == 0:
-            warnings.warn('SQL query get an empty')
+            # warnings.warn('SQL query get an empty')
             return data
 
         # fix the python <--> sql indexes