# import ChemPlugin class
from ChemPlugin import *

print("ChemPlugin example -- pH titration\n")

# Create ChemPlugin instance
cp = ChemPlugin("stdout")

# Configure the instance
cp.Config("Ca++ = 1 mmol/kg; Na+ = 1 mmol/kg")
cp.Config("Cl- = 3 mmol/kg; HCO3- = 2 mmol/kg; pH = 4")
cp.Config("react 3 mmol/kg NaOH; delxi = 0.1")

# Initialize the instance
cp.Initialize()

nsp = cp.Report1("nspecies")

# Time Marching loop
while True:
    deltat = cp.ReportTimeStep()
    if cp.AdvanceTimeStep(deltat): break
    if cp.AdvanceChemical(): break

    for i in range(nsp):
        spec_keywords = "species " + str(i)
        conc_keywords = "concentration aqueous " + str(i)
        spec = cp.Report1(spec_keywords)
        conc = cp.Report1(conc_keywords, "umol/kg")
        if conc > 10.0:
            print("%-10s = %12.2f umol/kg" % (spec, conc))
    print("")

input()