before coming back to BCN

package/chemicalchecker/util/parser/calculate_A_spaces.py

@@ -349,9 +349,9 @@ class Aspaces_prop_calculator(object):
 
                 assert space+'.001' in dictSpaces.keys(), print("Sign0 for space",space, "not fit!!")
                 models_imported =False
-                for molset in ('full'):
-                    sign0= self.cc.get_signature('sign0', molset , space+'.001') # already fitted
-                    sign1 = self.cc.get_signature('sign1', molset, space+'.001') # will get converted to reference by the next fct
+
+                sign0= self.cc.get_signature('sign0', 'full' , space+'.001') # already fitted
+                sign1 = self.cc.get_signature('sign1', 'full', space+'.001') # will get converted to reference by the next fct
                 sign1.clear()
 
                 # import models from the fit that took place in CC_repo 2020_XX
@@ -361,9 +361,12 @@ class Aspaces_prop_calculator(object):
 
                 destination = sign1.data_path
                 if not os.path.exists(destination):
-                        print("\nPredicting sign1", molset, "for space",space, 'to' ,destination)
+                    print("\nPredicting sign1 full for space",space, 'to' ,destination)
                     sign1.predict(sign0,destination=destination)
 
+                # reference
+                sign1.save_reference(cpu=1)
+
         return self.cc
 
     def predictSign2(self):