from ChemPlugin import * print("I made a titration model!\n") # Create ChemPlugin instance cp = ChemPlugin("stdout") # Configure the instance cmds = ("Ca++ = 1 mmol/kg", "Na+ = 1 mmol/kg", "Cl- = 3 mmol/kg", "HCO3- = 2 mmol/kg", "pH = 4") cmds += ("react 3 mmol/kg NaOH", "delxi = 0.01") for cmd in cmds: cp.Config(cmd) # Initialize the instance cp.Initialize() # >>> create a list "names" of species names <<< # >>> set "nsp" to the number of species <<< # Time Marching loop while True: deltat = cp.ReportTimeStep() if cp.AdvanceTimeStep(deltat): break if cp.AdvanceChemical(): break # >>> set a list "conc" of species concentrations in umol/kg <<< # >>> loop over each species <<< # >>> test species concentration > 10 umol/kg <<< # >>> write species name and concentration <<< print("") input("Done!")