test_specmicp.py
583eb2cd10a4master

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)

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