Commit 4dbb6f1f authored by nsoler's avatar nsoler
Browse files

before coming back to BCN

parent c14f7629
...@@ -349,20 +349,23 @@ class Aspaces_prop_calculator(object): ...@@ -349,20 +349,23 @@ class Aspaces_prop_calculator(object):
assert space+'.001' in dictSpaces.keys(), print("Sign0 for space",space, "not fit!!") assert space+'.001' in dictSpaces.keys(), print("Sign0 for space",space, "not fit!!")
models_imported =False models_imported =False
for molset in ('full'):
sign0= self.cc.get_signature('sign0', molset , space+'.001') # already fitted sign0= self.cc.get_signature('sign0', 'full' , space+'.001') # already fitted
sign1 = self.cc.get_signature('sign1', molset, space+'.001') # will get converted to reference by the next fct sign1 = self.cc.get_signature('sign1', 'full', space+'.001') # will get converted to reference by the next fct
sign1.clear() sign1.clear()
# import models from the fit that took place in CC_repo 2020_XX # import models from the fit that took place in CC_repo 2020_XX
if not models_imported: if not models_imported:
self.cc.import_models_for_prediction(sign1) # Import model for this space self.cc.import_models_for_prediction(sign1) # Import model for this space
models_imported =True models_imported =True
destination = sign1.data_path destination = sign1.data_path
if not os.path.exists(destination): 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) sign1.predict(sign0,destination=destination)
# reference
sign1.save_reference(cpu=1)
return self.cc return self.cc
......
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