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AdityaSavara / PEUQSE

Parameter estimation for complex physical problems often suffers from finding ‘solutions’ that are not physically realistic. The PEUQSE software provides tools for finding physically realistic parameter estimates, graphs of the parameter estimate positions within parameter space, and plots of the final simulation results.
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add automated choice of which posterior to use for species list #46

Open AdityaSavara opened 4 years ago

AdityaSavara commented 4 years ago

species_list =['a','b','c'] species_kinetic_role =['reactant', 'intermediate', 'product'] kinetic_experiment_type = 'transient' This example would use concentration, rate, concentration for the posterior. If it is steady state, then it would be concentration for all of them. For transient, need the uncertainties of initial concentrations for each of them.

AdityaSavara commented 4 years ago

This is now in the code, but the way I made it was like this:

UserInput.model['kinetics_type'] = 'transient'
UserInput.responses['response_types']=['P'] 
UserInput.responses['response_data_type']=['r']

This feature still needs to be documented so others can use it.