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ajjackson committed Sep 17, 2024
1 parent 6d46c8d commit 58306c3
Showing 1 changed file with 29 additions and 11 deletions.
40 changes: 29 additions & 11 deletions tests_and_analysis/test/euphonic_test/test_spectrum2dcollection.py
Original file line number Diff line number Diff line change
@@ -1,3 +1,8 @@
"""Unit tests for Spectrum2DCollection"""

# Stop the linter from complaining when pytest fixtures are used idiomatically
# pylint: disable=redefined-outer-name

from typing import Optional

import numpy as np
Expand All @@ -11,44 +16,52 @@


def get_spectrum2dcollection_path(*subpaths):
"""Get Spectrum2DCollection reference data path"""
return get_data_path('spectrum2dcollection', *subpaths)


def get_spectrum2dcollection(json_filename):
"""Get Spectrum2DCollection reference data object"""
return Spectrum2DCollection.from_json_file(
get_spectrum2dcollection_path(json_filename))


@pytest.fixture
def quartz_fuzzy_collection():
def quartz_fuzzy_collection() -> Spectrum2DCollection:
"""Coarsely sampled quartz bands in a few directions"""
return get_spectrum2dcollection("quartz_fuzzy_map.json")


@pytest.fixture
def quartz_fuzzy_items():
def quartz_fuzzy_items() -> list[Spectrum2D]:
"""Individual spectra corresponding to quartz_fuzzy_collection"""
return [get_spectrum2d(f"quartz_fuzzy_map_{i}.json") for i in range(3)]

@pytest.fixture
def inconsistent_x_item():
def inconsistent_x_item() -> Spectrum2D:
"""Spectrum with different x values"""
item = get_spectrum2d("quartz_fuzzy_map_0.json")
item._x_data *= 2.
return item

@pytest.fixture
def inconsistent_x_units_item():
"""Spectrum with different x units"""
item = get_spectrum2d("quartz_fuzzy_map_0.json")
item.x_data_unit = "1/bohr"
return item

@pytest.fixture
def inconsistent_x_length_item():
"""Spectrum with different number of x values"""
item = get_spectrum2d("quartz_fuzzy_map_0.json")
item.x_data = item.x_data[:-2]
item.z_data = item.z_data[:-2, :]
return item

@pytest.fixture
def inconsistent_y_item():
"""Spectrum with different y values"""
item = get_spectrum2d("quartz_fuzzy_map_0.json")
item.y_data = item.y_data * 2.
return item
Expand Down Expand Up @@ -81,20 +94,21 @@ def rand_spectrum2d(seed: int = 1,


class TestSpectrum2DCollectionCreation:
"""Unit tests for Spectrum2DCollection constructors"""
def test_init_from_numbers(self):
"""Construct Spectrum2DCollection with __init__()"""
N_X = 10
N_Y = 20
N_Z = 5
n_x = 10
n_y = 20
n_z = 5

x_data = ureg.Quantity(np.linspace(0, 100, N_X), "1 / angstrom")
y_data = ureg.Quantity(np.linspace(0, 2000, N_Y), "meV")
z_data = ureg.Quantity(np.random.random((N_Z, N_X, N_Y)), "1 / meV")
x_data = ureg.Quantity(np.linspace(0, 100, n_x), "1 / angstrom")
y_data = ureg.Quantity(np.linspace(0, 2000, n_y), "meV")
z_data = ureg.Quantity(np.random.random((n_z, n_x, n_y)), "1 / meV")

metadata = {"flavour": "chocolate",
"line_data": [{"index": i} for i in range(N_Z)]}
"line_data": [{"index": i} for i in range(n_z)]}

x_tick_labels = [(0, "Start"), (N_X - 1, "END")]
x_tick_labels = [(0, "Start"), (n_x - 1, "END")]

spectrum = Spectrum2DCollection(
x_data, y_data, z_data,
Expand Down Expand Up @@ -124,6 +138,7 @@ def test_from_spectra(self, quartz_fuzzy_collection, quartz_fuzzy_items):
else:
assert ref_collection.metadata == collection.metadata

# pylint: disable=R0913 # These fixtures are "too many arguments"
def test_from_bad_spectra(
self,
quartz_fuzzy_items,
Expand Down Expand Up @@ -153,6 +168,9 @@ def test_from_bad_spectra(
quartz_fuzzy_items + [inconsistent_y_item]
)

class TestSpectrum2DCollectionFunctionality:
"""Unit test indexing and methods of Spectrum2DCollection"""

def test_indexing(self, quartz_fuzzy_collection, quartz_fuzzy_items):
"""Check indexing an element, slice and iteration
Expand Down

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