test_specmicp.py
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	#!/usr/bin/env python
	# -- coding: utf-8 --

	import unittest as ut
	import sys

	lib_directory = "@python_module_path@"
	database_path = b"@database_path@"

	sys.path.insert(0, lib_directory)

	import specmicp.database as database
	import specmicp.constraints as constraints
	import specmicp.solver as solver


	class TestSpecmicp(ut.TestCase):

	def setUp(self):
	self.db = database.DatabaseManager(database_path)
	swapping = {b"H[+]": b"HO[-]",
	}
	self.db.swap_components(swapping)

	def test_solver(self):
	formulation = constraints.SpecMiCPFormulation(self.db)
	formulation.set_mass_solution(0.5)
	formulation.add_mineral(b"Portlandite", 10)
	formulation.add_aqueous_species(b"CO2", 0.5)
	formulation.initialize_system()

	the_solver = solver.SpecMiCPSolver(self.db, formulation, None)
	the_solver.set_length_unit("decimeter")
	the_solver.solve()

	the_solution = the_solver.get_solution()
	self.assertTrue(abs(the_solution.pH() - 12.487998) < 1e-3)

	def test_solver_fail(self):
	formulation = constraints.SpecMiCPFormulation(self.db)
	formulation.set_mass_solution(0.5)
	formulation.add_mineral(b"Portlandite", 10000)
	formulation.add_aqueous_species(b"CO2", 0.5)
	formulation.initialize_system()

	the_solver = solver.SpecMiCPSolver(self.db, formulation, None)
	the_solver.set_length_unit("decimeter")
	self.assertRaises(RuntimeError, the_solver.solve)


	if __name__ == '__main__':
	ut.main()