issues with "fit binding model parameters" case study

Hello, I am trying to use the case study linked here to fit binding model parameters - however - when setting up the optimization I get this error…

['adsorption_rate', 'desorption_rate', 'equilibrium_constant', 'kinetic_constant', 'characteristic_charge']
---------------------------------------------------------------------------
TypeError                                 Traceback (most recent call last)
Cell In[6], line 99
     97 x0 = [1, 1, 1e-2, 1e-3, 10]
     98 ind = optimization_problem.create_individual(x0)
---> 99 optimization_problem.evaluate_callbacks(ind)

File /opt/anaconda3/envs/cadetv5/lib/python3.12/site-packages/CADETProcess/optimization/optimizationProblem.py:1667, in OptimizationProblem.evaluate_callbacks(self, population, current_iteration, parallelization_backend, force)
   1663         except CADETProcessError as e:
   1664             self.logger.warning(
   1665                 f'Evaluation of {callback} failed at {ind.x} with Error "{e}".'
   1666             )
-> 1667 parallelization_backend.evaluate(evaluate_callbacks, population)

File /opt/anaconda3/envs/cadetv5/lib/python3.12/site-packages/CADETProcess/optimization/parallelizationBackend.py:103, in SequentialBackend.evaluate(self, function, population)
     84 """Evaluate the function sequentially at all individuals in the population.
     85 
     86 Since this is the 'SequentialBackend', the evaluation is done sequentially
   (...)
    100 
    101 """
    102 results = []
--> 103 for ind in population:
    104     results.append(function(ind))
    105 return results

TypeError: 'Individual' object is not iterable

Any suggestions?

Hi Rosario,

unfortunately, I cannot reproduce the issue. Could you please make sure you’re running the latest version of CADET-Core / Process?

Best regards,

Johannes