| import numpy as np |
| import numpy.testing as nt |
| import openpnm as op |
| from scipy.interpolate import interp1d |
|
|
|
|
| class TransientReactiveTransportTest: |
|
|
| def setup_class(self): |
| np.random.seed(0) |
| self.net = op.network.Cubic(shape=[3, 3, 1], spacing=1e-6) |
| self.net.add_model_collection( |
| op.models.collections.geometry.spheres_and_cylinders) |
| self.net.regenerate_models() |
| self.net['pore.volume'] = 1e-12 |
| self.phase = op.phase.Phase(network=self.net) |
| self.phase['pore.A'] = -1e-13 |
| self.phase['pore.k'] = 2 |
| self.phase['throat.diffusive_conductance'] = 1e-12 |
| mod = op.models.physics.source_terms.standard_kinetics |
| self.phase.add_model(propname='pore.reaction', |
| model=mod, |
| prefactor='pore.A', |
| exponent='pore.k', |
| X='pore.concentration', |
| regen_mode='deferred') |
| self.alg = op.algorithms.TransientReactiveTransport(network=self.net, |
| phase=self.phase) |
| self.alg.settings._update({'quantity': 'pore.concentration', |
| 'conductance': 'throat.diffusive_conductance'}) |
| self.alg.set_value_BC(pores=self.net.pores('front'), values=2) |
| self.alg.set_source(propname='pore.reaction', pores=self.net.pores('back')) |
|
|
| def test_transient_reactive_transport(self): |
| self.alg.run(x0=0, tspan=(0, 1)) |
| desired = 1.13133 |
| actual = self.alg.x.mean() |
| nt.assert_allclose(actual, desired, rtol=1e-5) |
|
|
| def test_transient_solution(self): |
| self.alg.run(x0=0, tspan=(0, 1), saveat=0.1) |
| from openpnm.algorithms._solution import TransientSolution |
| quantity = self.alg.settings['quantity'] |
| |
| assert isinstance(self.alg.soln[quantity], TransientSolution) |
| |
| nt.assert_array_equal(self.alg.soln[quantity].shape, (self.alg.Np, 11)) |
| |
| nt.assert_array_equal(self.alg.soln[quantity].t, np.arange(0, 1.1, 0.1)) |
| |
| assert hasattr(self.alg.soln[quantity], "__call__") |
| |
| f = interp1d(self.alg.soln[quantity].t, self.alg.soln[quantity]) |
| nt.assert_allclose(f(0.05), self.alg.soln[quantity](0.05)) |
| |
| with nt.assert_raises(Exception): |
| self.alg.soln(1.01) |
|
|
| def test_consecutive_runs_preserves_solution(self): |
| |
| self.alg.run(x0=0, tspan=(0, 0.1)) |
| self.alg.run(x0=self.alg.x, tspan=(0.1, 0.3)) |
| out1 = self.alg.soln |
| |
| self.alg.run(x0=0, tspan=(0, 0.3)) |
| out2 = self.alg.soln |
| |
| quantity = self.alg.settings['quantity'] |
| nt.assert_allclose(out1[quantity](0.3), out2[quantity](0.3), rtol=1e-5) |
|
|
| def test_adding_bc_over_sources(self): |
| with nt.assert_raises(Exception): |
| self.alg.set_value_BC(pores=self.net.pores("right"), values=0.3) |
|
|
| def test_adding_sources_over_bc(self): |
| with nt.assert_raises(Exception): |
| self.alg.set_source(propname='pore.reaction', |
| pores=self.net.pores('left')) |
|
|
| def test_ensure_settings_are_valid(self): |
| alg = op.algorithms.TransientReactiveTransport(network=self.net, |
| phase=self.phase) |
| |
| |
| |
| |
| |
| |
| |
| |
|
|
| def teardown_class(self): |
| ws = op.Workspace() |
| ws.clear() |
|
|
|
|
| if __name__ == '__main__': |
|
|
| t = TransientReactiveTransportTest() |
| t.setup_class() |
| self = t |
| for item in t.__dir__(): |
| if item.startswith('test'): |
| print(f'Running test: {item}') |
| t.__getattribute__(item)() |
|
|
