from ChemPlugin import *

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

# Create a 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(1.0, "hour")
print(" Xi = %4.2f pH = %4.2f" % (cp.Report1("Xi"), cp.Report1("pH")))

# First Time Marching Loop
while True:
    deltat = cp.ReportTimeStep()
    if cp.AdvanceTimeStep(deltat): break
    if cp.AdvanceChemical(): break
    print(" Xi = %4.2f pH = %4.2f" % (cp.Report1("Xi"), cp.Report1("pH")))

# Reconfigure and extend the run.
print("\n Extending run to Xi = 2")
cp.Config("remove reactant NaOH")
cp.Config("react 3 mmol/kg HCl")
cp.ExtendRun(1.0, "hour")

# Second Time marching loop
while True:
    deltat = cp.ReportTimeStep()
    if cp.AdvanceTimeStep(deltat): break
    if cp.AdvanceChemical(): break
    print(" Xi = %4.2f pH = %4.2f" % (cp.Report1("Xi"), cp.Report1("pH")))

input()