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test_structure.py
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test_structure.py
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from pytest import approx, fixture
import random
from solcore import material
from solcore.poisson_drift_diffusion.DeviceStructure import CreateDeviceStructure
from solcore.structure import Junction, Layer, SolcoreMaterialToStr, Structure, ToSolcoreMaterial, TunnelJunction
from solcore.structure import InLineComposition, ToLayer, ToStructure
# Materials
t = 300
qw_mat_material_name = 'InGaAs'
qw_mat_in = 0.2
qw_mat_structure = {'material': qw_mat_material_name, 'element': 'In', 'fraction': qw_mat_in}
b_mat_material_name = 'GaAsP'
b_mat_p = 0.1
b_mat_structure = {'material': b_mat_material_name, 'element': 'P', 'fraction': b_mat_p}
i_gaas_material_name = 'GaAs'
i_gaas_structure = {'material': i_gaas_material_name}
# Layers
available_roles = ['Barrier', 'Base', 'BSF', 'Emitter', 'Intrinsic', 'Window']
wkt_box = 'POLYGON((0 0, 1 0, 1 1, 0 1, 0 0))'
width1 = random.uniform(1e-9, 1e-8)
role1 = random.choice(available_roles)
width2 = random.uniform(1e-9, 1e-8)
role2 = random.choice(available_roles)
width3 = random.uniform(1e-9, 1e-8)
role3 = random.choice(available_roles)
@fixture
def qw_mat():
return material(qw_mat_material_name)(T=t, In=qw_mat_in)
@fixture
def b_mat():
return material(b_mat_material_name)(T=t, P=b_mat_p)
@fixture
def i_gaas():
return material(i_gaas_material_name)(T=t)
@fixture
def layer1(qw_mat):
return Layer(width1, qw_mat, role1, wkt_box, new_property='new_property')
@fixture
def layer2(b_mat):
return Layer(width2, b_mat, role2, wkt_box)
@fixture
def layer3(i_gaas):
return Layer(width3, i_gaas, role3, wkt_box)
@fixture
def device(layer1, layer2, layer3):
return CreateDeviceStructure(layers=[layer1, layer2, layer3])
def test_layer_and_junction(qw_mat, b_mat, i_gaas, layer1, layer2, layer3):
assert layer1.width == width1
assert layer1.role == role1
assert layer1.material == qw_mat
assert layer1.geometry == wkt_box
assert layer1.__dict__['new_property'] == 'new_property'
assert layer2.width == width2
assert layer2.role == role2
assert layer2.material == b_mat
assert layer2.geometry == wkt_box
assert layer3.width == width3
assert layer3.role == role3
assert layer3.material == i_gaas
assert layer3.geometry == wkt_box
sn = random.uniform(1e6, 1e7)
sp = random.uniform(1e6, 1e7)
junction1 = Junction([layer1, layer2, layer3], sn=sn, sp=sp, T=t, kind='PDD')
assert junction1.__len__() == 3
assert junction1.__dict__ == {'sn': sn, 'sp': sp, 'T': t, 'kind': 'PDD'}
assert junction1[0] == layer1
assert junction1[1] == layer2
assert junction1[2] == layer3
tunnel1 = TunnelJunction([layer1, layer2, layer3], sn=sn, sp=sp, T=t, kind='PDD')
assert tunnel1.__len__() == 3
assert tunnel1.__dict__ == {'sn': sn, 'sp': sp, 'T': t, 'kind': 'PDD', 'R': 1e-16, 'pn': True}
assert tunnel1[0] == layer1
assert tunnel1[1] == layer2
assert tunnel1[2] == layer3
def test_structure(b_mat, layer1, layer2, layer3):
structure1 = Structure([layer1, layer2], substrate=b_mat, T=t)
assert structure1.__len__() == 2
assert structure1.__dict__ == {'substrate': b_mat, 'T': t, 'labels': [None, None]}
assert structure1.width() == approx(width1 + width2)
assert structure1[0] == layer1
assert structure1[1] == layer2
structure2 = Structure([], substrate=b_mat, T=t)
structure2.append(layer1, layer_label='layer1')
assert structure2.__len__() == 1
assert structure2.__dict__ == {'substrate': b_mat, 'T': t, 'labels': ['layer1']}
assert structure2[0] == layer1
structure2.append_multiple([layer2, layer3], layer_labels=['layer2', 'layer3'])
assert structure2.__len__() == 3
assert structure2.__dict__ == {'substrate': b_mat, 'T': t, 'labels': ['layer1', 'layer2', 'layer3']}
assert structure2[0] == layer1
assert structure2[1] == layer2
assert structure2[2] == layer3
assert structure2.width() == approx(width1 + width2 + width3)
assert structure2.relative_widths()['layer1'] == approx(width1 / structure2.width())
assert structure2.relative_widths()['layer2'] == approx(width2 / structure2.width())
assert structure2.relative_widths()['layer3'] == approx(width3 / structure2.width())
structure3 = Structure([])
structure3.append(layer1, layer_label='layer1', repeats=2)
assert structure3.__len__() == 2
assert structure3.__dict__ == {'labels': ['layer1', 'layer1']}
assert structure3[0] == layer1
assert structure3[1] == layer1
assert structure3.width() == approx(width1 * 2)
# Below currently fails due to a bug when specifying labels and repeating more than once
# assert structure3.relative_widths()['layer1'] == width1 / structure3.width()
structure4 = Structure([])
structure4.append_multiple([layer1, layer2], layer_labels=['layer1', 'layer2'], repeats=2)
assert structure4.__len__() == 4
assert structure4.__dict__ == {'labels': ['layer1', 'layer2', 'layer1', 'layer2']}
assert structure4[0] == layer1
assert structure4[1] == layer2
assert structure4[2] == layer1
assert structure4[3] == layer2
assert structure4.width() == approx(width1 * 2 + width2 * 2)
# Below currently fails due to a bug when specifying labels and repeating more than once
# assert structure4.relative_widths()['layer1'] == width1 / structure4.width()
# assert structure4.relative_widths()['layer2'] == width2 / structure4.width()
def test_material_to_str(qw_mat, b_mat, i_gaas):
assert SolcoreMaterialToStr(qw_mat) == qw_mat_structure
assert SolcoreMaterialToStr(b_mat) == b_mat_structure
assert SolcoreMaterialToStr(i_gaas) == i_gaas_structure
def test_to_material(qw_mat, b_mat, i_gaas):
qw_material = ToSolcoreMaterial(qw_mat_structure, t, True)
assert qw_material.__class__.__name__ == qw_mat_material_name
assert qw_material.__dict__ == qw_mat.__dict__
b_material = ToSolcoreMaterial(b_mat_structure, t, True)
assert b_material.__class__.__name__ == b_mat_material_name
assert b_material.__dict__ == b_mat.__dict__
i_gaas_material = ToSolcoreMaterial(i_gaas_structure, t, True)
assert i_gaas_material.__class__.__name__ == i_gaas_material_name
assert i_gaas_material.__dict__ == i_gaas.__dict__
def test_inline_composition(device):
assert InLineComposition(device['layers'][0]) == 'In0.2GaAs'
assert InLineComposition(device['layers'][1]) == 'GaAsP0.1'
assert InLineComposition(device['layers'][2]) == 'GaAs'
def test_to_layer(qw_mat, device):
device_layer = device['layers'][0]
composition = device_layer['properties']['composition']
layer = ToLayer(width1, ToSolcoreMaterial(composition, t), role1)
assert layer.width == width1
assert layer.role == role1
assert layer.material.__str__() == qw_mat.__str__()
def test_to_structure(device):
structure = ToStructure(device)
assert structure.__len__() == 3
assert structure.width() == approx(width1 + width2 + width3)