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# ----------------------------------------------------------------------------
# Copyright (c) 2013--, scikit-bio development team.
#
# Distributed under the terms of the Modified BSD License.
#
# The full license is in the file LICENSE.txt, distributed with this software.
# ----------------------------------------------------------------------------
import io
import unittest
from unittest import TestCase, main
import numpy as np
import numpy.testing as npt
import pandas as pd
import pandas.testing as pdt
import scipy.spatial.distance
try:
import matplotlib as mpl
except ImportError:
has_matplotlib = False
else:
has_matplotlib = True
import skbio.sequence.distance
from skbio import DistanceMatrix, Sequence
from skbio.stats.distance import (
DissimilarityMatrixError, DistanceMatrixError, MissingIDError,
DissimilarityMatrix, randdm)
from skbio.stats.distance._base import (_preprocess_input,
_run_monte_carlo_stats)
from skbio.stats.distance._utils import is_symmetric_and_hollow
from skbio.util import assert_data_frame_almost_equal
from skbio.util._testing import assert_series_almost_equal
class DissimilarityMatrixTestData:
def setUp(self):
self.dm_1x1_data = [[0.0]]
self.dm_2x2_data = [[0.0, 0.123], [0.123, 0.0]]
self.dm_2x2_asym_data = [[0.0, 1.0], [-2.0, 0.0]]
self.dm_3x3_data = [[0.0, 0.01, 4.2], [0.01, 0.0, 12.0],
[4.2, 12.0, 0.0]]
self.dm_5x5_data = [[0, 1, 2, 3, 4],
[5, 0, 6, 7, 8],
[9, 1, 0, 2, 3],
[4, 5, 6, 0, 7],
[8, 9, 1, 2, 0]]
class DissimilarityMatrixTestBase(DissimilarityMatrixTestData):
matobj = None
def setUp(self):
super(DissimilarityMatrixTestBase, self).setUp()
self.dm_1x1 = self.matobj(self.dm_1x1_data, ['a'])
self.dm_2x2 = self.matobj(self.dm_2x2_data, ['a', 'b'])
self.dm_2x2_asym = self.matobj(self.dm_2x2_asym_data,
['a', 'b'])
self.dm_3x3 = self.matobj(self.dm_3x3_data, ['a', 'b', 'c'])
self.dm_5x5 = self.matobj(self.dm_5x5_data, list('abcde'))
self.dms = [self.dm_1x1, self.dm_2x2, self.dm_2x2_asym, self.dm_3x3]
self.dm_shapes = [(1, 1), (2, 2), (2, 2), (3, 3)]
self.dm_sizes = [1, 4, 4, 9]
self.dm_transposes = [
self.dm_1x1, self.dm_2x2,
self.matobj([[0, -2], [1, 0]], ['a', 'b']), self.dm_3x3]
self.dm_redundant_forms = [np.array(self.dm_1x1_data),
np.array(self.dm_2x2_data),
np.array(self.dm_2x2_asym_data),
np.array(self.dm_3x3_data)]
def test_avoid_copy_on_construction(self):
# ((data, expect_copy))
tests = (([[0, 1], [1, 0]], True),
([(0, 1), (1, 0)], True),
(((0, 1), (1, 0)), True),
(np.array([[0, 1], [1, 0]], dtype='int'), True),
(np.array([[0, 1], [1, 0]], dtype='float'), False),
(np.array([[0, 1], [1, 0]], dtype=np.float32), False),
(np.array([[0, 1], [1, 0]], dtype=np.float64), False),
(np.array([[0, 1], [1, 0]], dtype='double'), False))
for data, expect in tests:
obj = DissimilarityMatrix(data)
self.assertEqual(id(obj.data) != id(data), expect)
def test_within(self):
exp = pd.DataFrame([['a', 'a', 0.0],
['a', 'c', 4.2],
['c', 'a', 4.2],
['c', 'c', 0.0]],
columns=['i', 'j', 'value'])
obs = self.dm_3x3.within(['a', 'c'])
pdt.assert_frame_equal(obs, exp)
def test_within_order_stability(self):
exp = pd.DataFrame([['a', 'a', 0.0],
['a', 'c', 4.2],
['c', 'a', 4.2],
['c', 'c', 0.0]],
columns=['i', 'j', 'value'])
# NOTE: order was changed from ['a', 'c'] to ['c', 'a']
# but the output order in exp is consistent with
# test_within
obs = self.dm_3x3.within(['c', 'a'])
pdt.assert_frame_equal(obs, exp)
obs = self.dm_3x3.within(['a', 'c'])
pdt.assert_frame_equal(obs, exp)
def test_within_missing_id(self):
with self.assertRaisesRegex(MissingIDError, "not found."):
self.dm_3x3.within(['x', 'a'])
def test_between(self):
exp = pd.DataFrame([['b', 'a', 5.],
['b', 'c', 6.],
['b', 'e', 8.],
['d', 'a', 4.],
['d', 'c', 6.],
['d', 'e', 7.]],
columns=['i', 'j', 'value'])
obs = self.dm_5x5.between(['b', 'd'], ['a', 'c', 'e'])
pdt.assert_frame_equal(obs, exp)
def test_between_order_stability(self):
exp = pd.DataFrame([['b', 'a', 5.],
['b', 'c', 6.],
['b', 'e', 8.],
['d', 'a', 4.],
['d', 'c', 6.],
['d', 'e', 7.]],
columns=['i', 'j', 'value'])
# varying the order of the "i" values, result remains consistent
# with the test_between result
obs = self.dm_5x5.between(['d', 'b'], ['a', 'c', 'e'])
pdt.assert_frame_equal(obs, exp)
# varying the order of the "j" values, result remains consistent
# with the test_between result
obs = self.dm_5x5.between(['b', 'd'], ['a', 'e', 'c'])
pdt.assert_frame_equal(obs, exp)
# varying the order of the "i" and "j" values, result remains
# consistent with the test_between result
obs = self.dm_5x5.between(['d', 'b'], ['a', 'e', 'c'])
pdt.assert_frame_equal(obs, exp)
def test_between_overlap(self):
exp = pd.DataFrame([['b', 'a', 5.],
['b', 'd', 7.],
['b', 'e', 8.],
['d', 'a', 4.],
['d', 'd', 0.],
['d', 'e', 7.]],
columns=['i', 'j', 'value'])
# 'd' in i and j overlap
with self.assertRaisesRegex(KeyError, ("This constraint can "
"removed with "
"allow_overlap=True.")):
self.dm_5x5.between(['b', 'd'], ['a', 'd', 'e'])
obs = self.dm_5x5.between(['b', 'd'], ['a', 'd', 'e'],
allow_overlap=True)
pdt.assert_frame_equal(obs, exp)
def test_between_missing_id(self):
with self.assertRaisesRegex(MissingIDError, "not found."):
self.dm_3x3.between(['x', 'a'], ['a', 'b', 'c'])
with self.assertRaisesRegex(MissingIDError, "not found."):
self.dm_3x3.between(['a', 'b'], ['a', 'x', 'c'])
with self.assertRaisesRegex(MissingIDError, "not found."):
self.dm_3x3.between(['a', 'y'], ['a', 'x', 'c'])
def test_stable_order(self):
exp = np.array([1, 3, 4], dtype=int)
obs = self.dm_5x5._stable_order(['d', 'e', 'b'])
npt.assert_equal(obs, exp)
def test_subset_to_dataframe(self):
exp = pd.DataFrame([['b', 'a', 5.],
['b', 'd', 7.],
['b', 'e', 8.],
['d', 'a', 4.],
['d', 'd', 0.],
['d', 'e', 7.]],
columns=['i', 'j', 'value'])
obs = self.dm_5x5._subset_to_dataframe(['b', 'd'], ['a', 'd', 'e'])
pdt.assert_frame_equal(obs, exp)
# and the empty edge cases
exp = pd.DataFrame([],
columns=['i', 'j', 'value'],
index=pd.RangeIndex(start=0, stop=0))
obs = self.dm_5x5._subset_to_dataframe([], ['a', 'd', 'e'])
pdt.assert_frame_equal(obs, exp, check_dtype=False)
obs = self.dm_5x5._subset_to_dataframe(['b', 'd'], [])
pdt.assert_frame_equal(obs, exp, check_dtype=False)
obs = self.dm_5x5._subset_to_dataframe([], [])
pdt.assert_frame_equal(obs, exp, check_dtype=False)
def test_init_from_dm(self):
ids = ['foo', 'bar', 'baz']
# DissimilarityMatrix -> DissimilarityMatrix
exp = self.matobj(self.dm_3x3_data, ids)
obs = self.matobj(self.dm_3x3, ids)
self.assertEqual(obs, exp)
# Test that copy of data is not made.
self.assertTrue(obs.data is self.dm_3x3.data)
obs.data[0, 1] = 424242
self.assertTrue(np.array_equal(obs.data, self.dm_3x3.data))
# DistanceMatrix -> DissimilarityMatrix
exp = self.matobj(self.dm_3x3_data, ids)
obs = self.matobj(
self.matobj(self.dm_3x3_data, ('a', 'b', 'c')), ids)
self.assertEqual(obs, exp)
# DissimilarityMatrix -> DistanceMatrix
with self.assertRaises(DistanceMatrixError):
DistanceMatrix(self.dm_2x2_asym, ['foo', 'bar'])
def test_init_non_hollow_dm(self):
data = [[1, 1], [1, 1]]
obs = self.matobj(data, ['a', 'b'])
self.assertTrue(np.array_equal(obs.data, data))
data_hollow = skbio.stats.distance._utils.is_hollow(obs.data)
self.assertEqual(data_hollow, False)
def test_init_no_ids(self):
exp = self.matobj(self.dm_3x3_data, ('0', '1', '2'))
obs = self.matobj(self.dm_3x3_data)
self.assertEqual(obs, exp)
self.assertEqual(obs['1', '2'], 12.0)
def test_init_invalid_input(self):
# Empty data.
with self.assertRaises(DissimilarityMatrixError):
self.matobj([], [])
# Another type of empty data.
with self.assertRaises(DissimilarityMatrixError):
self.matobj(np.empty((0, 0)), [])
# Invalid number of dimensions.
with self.assertRaises(DissimilarityMatrixError):
self.matobj([1, 2, 3], ['a'])
# Dimensions don't match.
with self.assertRaises(DissimilarityMatrixError):
self.matobj([[1, 2, 3]], ['a'])
data = [[0, 1], [1, 0]]
# Duplicate IDs.
with self.assertRaises(DissimilarityMatrixError):
self.matobj(data, ['a', 'a'])
# Number of IDs don't match dimensions.
with self.assertRaises(DissimilarityMatrixError):
self.matobj(data, ['a', 'b', 'c'])
with self.assertRaises(DissimilarityMatrixError):
self.matobj(data, [])
def test_from_iterable_non_hollow_data(self):
iterable = (x for x in range(4))
exp = self.matobj([[1, 1, 1, 1],
[1, 1, 1, 1],
[1, 1, 1, 1],
[1, 1, 1, 1]])
res = self.matobj.from_iterable(iterable, lambda a, b: 1)
self.assertEqual(res, exp)
def test_from_iterable_asymmetric_data(self):
iterable = (x for x in range(4))
exp = self.matobj([[0, 1, 2, 3],
[-1, 0, 1, 2],
[-2, -1, 0, 1],
[-3, -2, -1, 0]])
res = self.matobj.from_iterable(iterable, lambda a, b: b - a)
self.assertEqual(res, exp)
def test_from_iterable_no_key(self):
iterable = (x for x in range(4))
exp = self.matobj([[0, 1, 2, 3],
[1, 0, 1, 2],
[2, 1, 0, 1],
[3, 2, 1, 0]])
res = self.matobj.from_iterable(iterable,
lambda a, b: abs(b - a))
self.assertEqual(res, exp)
def test_from_iterable_with_key(self):
iterable = (x for x in range(4))
exp = self.matobj([[0, 1, 2, 3],
[1, 0, 1, 2],
[2, 1, 0, 1],
[3, 2, 1, 0]], ['0', '1', '4', '9'])
res = self.matobj.from_iterable(iterable,
lambda a, b: abs(b - a),
key=lambda x: str(x ** 2))
self.assertEqual(res, exp)
def test_from_iterable_empty(self):
with self.assertRaises(DissimilarityMatrixError):
self.matobj.from_iterable([], lambda x: x)
def test_from_iterable_single(self):
exp = self.matobj([[100]])
res = self.matobj.from_iterable(["boo"], lambda a, b: 100)
self.assertEqual(res, exp)
def test_from_iterable_with_keys(self):
iterable = (x for x in range(4))
exp = self.matobj([[0, 1, 2, 3],
[1, 0, 1, 2],
[2, 1, 0, 1],
[3, 2, 1, 0]], ['0', '1', '4', '9'])
res = self.matobj.from_iterable(iterable,
lambda a, b: abs(b - a),
keys=iter(['0', '1', '4', '9'])
)
self.assertEqual(res, exp)
def test_from_iterable_with_key_and_keys(self):
iterable = (x for x in range(4))
with self.assertRaises(ValueError):
self.matobj.from_iterable(iterable,
lambda a, b: abs(b - a),
key=str,
keys=['1', '2', '3', '4'])
def test_from_iterable_scipy_hamming_metric_with_metadata(self):
# test for #1254
seqs = [
Sequence('ACGT'),
Sequence('ACGA', metadata={'id': 'seq1'}),
Sequence('AAAA', metadata={'id': 'seq2'}),
Sequence('AAAA', positional_metadata={'qual': range(4)})
]
exp = self.matobj([
[0, 0.25, 0.75, 0.75],
[0.25, 0.0, 0.5, 0.5],
[0.75, 0.5, 0.0, 0.0],
[0.75, 0.5, 0.0, 0.0]], ['a', 'b', 'c', 'd'])
dm = self.matobj.from_iterable(
seqs,
metric=scipy.spatial.distance.hamming,
keys=['a', 'b', 'c', 'd'])
self.assertEqual(dm, exp)
def test_from_iterable_skbio_hamming_metric_with_metadata(self):
# test for #1254
seqs = [
Sequence('ACGT'),
Sequence('ACGA', metadata={'id': 'seq1'}),
Sequence('AAAA', metadata={'id': 'seq2'}),
Sequence('AAAA', positional_metadata={'qual': range(4)})
]
exp = self.matobj([
[0, 0.25, 0.75, 0.75],
[0.25, 0.0, 0.5, 0.5],
[0.75, 0.5, 0.0, 0.0],
[0.75, 0.5, 0.0, 0.0]], ['a', 'b', 'c', 'd'])
dm = self.matobj.from_iterable(
seqs,
metric=skbio.sequence.distance.hamming,
keys=['a', 'b', 'c', 'd'])
self.assertEqual(dm, exp)
def test_data(self):
for dm, exp in zip(self.dms, self.dm_redundant_forms):
obs = dm.data
self.assertTrue(np.array_equal(obs, exp))
with self.assertRaises(AttributeError):
self.dm_3x3.data = 'foo'
def test_ids(self):
obs = self.dm_3x3.ids
self.assertEqual(obs, ('a', 'b', 'c'))
# Test that we overwrite the existing IDs and that the ID index is
# correctly rebuilt.
new_ids = ['foo', 'bar', 'baz']
self.dm_3x3.ids = new_ids
obs = self.dm_3x3.ids
self.assertEqual(obs, tuple(new_ids))
self.assertTrue(np.array_equal(self.dm_3x3['bar'],
np.array([0.01, 0.0, 12.0])))
with self.assertRaises(MissingIDError):
self.dm_3x3['b']
def test_ids_invalid_input(self):
with self.assertRaises(DissimilarityMatrixError):
self.dm_3x3.ids = ['foo', 'bar']
# Make sure that we can still use the dissimilarity matrix after trying
# to be evil.
obs = self.dm_3x3.ids
self.assertEqual(obs, ('a', 'b', 'c'))
def test_dtype(self):
for dm in self.dms:
self.assertEqual(dm.dtype, np.float64)
def test_shape(self):
for dm, shape in zip(self.dms, self.dm_shapes):
self.assertEqual(dm.shape, shape)
def test_size(self):
for dm, size in zip(self.dms, self.dm_sizes):
self.assertEqual(dm.size, size)
def test_transpose(self):
for dm, transpose in zip(self.dms, self.dm_transposes):
self.assertEqual(dm.T, transpose)
self.assertEqual(dm.transpose(), transpose)
# We should get a reference to a different object back, even if the
# transpose is the same as the original.
self.assertTrue(dm.transpose() is not dm)
def test_index(self):
self.assertEqual(self.dm_3x3.index('a'), 0)
self.assertEqual(self.dm_3x3.index('b'), 1)
self.assertEqual(self.dm_3x3.index('c'), 2)
with self.assertRaises(MissingIDError):
self.dm_3x3.index('d')
with self.assertRaises(MissingIDError):
self.dm_3x3.index(1)
def test_redundant_form(self):
for dm, redundant in zip(self.dms, self.dm_redundant_forms):
obs = dm.redundant_form()
self.assertTrue(np.array_equal(obs, redundant))
def test_copy(self):
copy = self.dm_2x2.copy()
self.assertEqual(copy, self.dm_2x2)
self.assertFalse(copy.data is self.dm_2x2.data)
# deepcopy doesn't actually create a copy of the IDs because it is a
# tuple of strings, which is fully immutable.
self.assertTrue(copy.ids is self.dm_2x2.ids)
new_ids = ['hello', 'world']
copy.ids = new_ids
self.assertNotEqual(copy.ids, self.dm_2x2.ids)
copy = self.dm_2x2.copy()
copy.data[0, 1] = 0.0001
self.assertFalse(np.array_equal(copy.data, self.dm_2x2.data))
def test_filter_no_filtering(self):
# Don't actually filter anything -- ensure we get back a different
# object.
obs = self.dm_3x3.filter(['a', 'b', 'c'])
self.assertEqual(obs, self.dm_3x3)
self.assertFalse(obs is self.dm_3x3)
def test_filter_reorder(self):
# Don't filter anything, but reorder the distance matrix.
order = ['c', 'a', 'b']
exp = self.matobj(
[[0, 4.2, 12], [4.2, 0, 0.01], [12, 0.01, 0]], order)
obs = self.dm_3x3.filter(order)
self.assertEqual(obs, exp)
def test_filter_single_id(self):
ids = ['b']
exp = self.matobj([[0]], ids)
obs = self.dm_2x2_asym.filter(ids)
self.assertEqual(obs, exp)
def test_filter_asymmetric(self):
# 2x2
ids = ['b', 'a']
exp = self.matobj([[0, -2], [1, 0]], ids)
obs = self.dm_2x2_asym.filter(ids)
self.assertEqual(obs, exp)
# 3x3
dm = self.matobj([[0, 10, 53], [42, 0, 22.5], [53, 1, 0]],
('bro', 'brah', 'breh'))
ids = ['breh', 'brah']
exp = self.matobj([[0, 1], [22.5, 0]], ids)
obs = dm.filter(ids)
self.assertEqual(obs, exp)
def test_filter_subset(self):
ids = ('c', 'a')
exp = self.matobj([[0, 4.2], [4.2, 0]], ids)
obs = self.dm_3x3.filter(ids)
self.assertEqual(obs, exp)
ids = ('b', 'a')
exp = self.matobj([[0, 0.01], [0.01, 0]], ids)
obs = self.dm_3x3.filter(ids)
self.assertEqual(obs, exp)
# 4x4
dm = self.matobj([[0, 1, 55, 7], [1, 0, 16, 1],
[55, 16, 0, 23], [7, 1, 23, 0]])
ids = np.asarray(['3', '0', '1'])
exp = self.matobj([[0, 7, 1], [7, 0, 1], [1, 1, 0]], ids)
obs = dm.filter(ids)
self.assertEqual(obs, exp)
def test_filter_duplicate_ids(self):
with self.assertRaises(DissimilarityMatrixError):
self.dm_3x3.filter(['c', 'a', 'c'])
def test_filter_missing_ids(self):
with self.assertRaises(MissingIDError):
self.dm_3x3.filter(['c', 'bro'])
def test_filter_missing_ids_strict_false(self):
# no exception should be raised
ids = ('c', 'a')
exp = self.matobj([[0, 4.2], [4.2, 0]], ids)
obs = self.dm_3x3.filter(['c', 'a', 'not found'], strict=False)
self.assertEqual(obs, exp)
def test_filter_empty_ids(self):
with self.assertRaises(DissimilarityMatrixError):
self.dm_3x3.filter([])
@unittest.skipUnless(has_matplotlib, "Matplotlib not available.")
def test_plot_default(self):
fig = self.dm_1x1.plot()
self.assertIsInstance(fig, mpl.figure.Figure)
axes = fig.get_axes()
self.assertEqual(len(axes), 2)
ax = axes[0]
self.assertEqual(ax.get_title(), '')
xticks = []
for tick in ax.get_xticklabels():
xticks.append(tick.get_text())
self.assertEqual(xticks, ['a'])
yticks = []
for tick in ax.get_yticklabels():
yticks.append(tick.get_text())
self.assertEqual(yticks, ['a'])
@unittest.skipUnless(has_matplotlib, "Matplotlib not available.")
def test_plot_no_default(self):
ids = ['0', 'one', '2', 'three', '4.000']
data = ([0, 1, 2, 3, 4], [1, 0, 1, 2, 3], [2, 1, 0, 1, 2],
[3, 2, 1, 0, 1], [4, 3, 2, 1, 0])
dm = self.matobj(data, ids)
fig = dm.plot(cmap='Reds', title='Testplot')
self.assertIsInstance(fig, mpl.figure.Figure)
axes = fig.get_axes()
self.assertEqual(len(axes), 2)
ax = axes[0]
self.assertEqual(ax.get_title(), 'Testplot')
xticks = []
for tick in ax.get_xticklabels():
xticks.append(tick.get_text())
self.assertEqual(xticks, ['0', 'one', '2', 'three', '4.000'])
yticks = []
for tick in ax.get_yticklabels():
yticks.append(tick.get_text())
self.assertEqual(yticks, ['0', 'one', '2', 'three', '4.000'])
def test_to_data_frame_1x1(self):
df = self.dm_1x1.to_data_frame()
exp = pd.DataFrame([[0.0]], index=['a'], columns=['a'])
assert_data_frame_almost_equal(df, exp)
def test_to_data_frame_3x3(self):
df = self.dm_3x3.to_data_frame()
exp = pd.DataFrame([[0.0, 0.01, 4.2],
[0.01, 0.0, 12.0],
[4.2, 12.0, 0.0]],
index=['a', 'b', 'c'], columns=['a', 'b', 'c'])
assert_data_frame_almost_equal(df, exp)
def test_to_data_frame_default_ids(self):
df = self.matobj(self.dm_2x2_data).to_data_frame()
exp = pd.DataFrame([[0.0, 0.123],
[0.123, 0.0]],
index=['0', '1'], columns=['0', '1'])
assert_data_frame_almost_equal(df, exp)
def test_str(self):
for dm in self.dms:
obs = str(dm)
# Do some very light testing here to make sure we're getting a
# non-empty string back. We don't want to test the exact
# formatting.
self.assertTrue(obs)
def test_eq(self):
for dm in self.dms:
copy = dm.copy()
self.assertTrue(dm == dm)
self.assertTrue(copy == copy)
self.assertTrue(dm == copy)
self.assertTrue(copy == dm)
self.assertFalse(self.dm_1x1 == self.dm_3x3)
def test_ne(self):
# Wrong class.
self.assertTrue(self.dm_3x3 != 'foo')
# Wrong shape.
self.assertTrue(self.dm_3x3 != self.dm_1x1)
# Wrong IDs.
other = self.dm_3x3.copy()
other.ids = ['foo', 'bar', 'baz']
self.assertTrue(self.dm_3x3 != other)
# Wrong data.
other = self.dm_3x3.copy()
other.data[1, 0] = 42.42
self.assertTrue(self.dm_3x3 != other)
self.assertFalse(self.dm_2x2 != self.dm_2x2)
def test_contains(self):
self.assertTrue('a' in self.dm_3x3)
self.assertTrue('b' in self.dm_3x3)
self.assertTrue('c' in self.dm_3x3)
self.assertFalse('d' in self.dm_3x3)
def test_getslice(self):
# Slice of first dimension only. Test that __getslice__ defers to
# __getitem__.
obs = self.dm_2x2[1:]
self.assertTrue(np.array_equal(obs, np.array([[0.123, 0.0]])))
self.assertEqual(type(obs), np.ndarray)
def test_getitem_by_id(self):
obs = self.dm_1x1['a']
self.assertTrue(np.array_equal(obs, np.array([0.0])))
obs = self.dm_2x2_asym['b']
self.assertTrue(np.array_equal(obs, np.array([-2.0, 0.0])))
obs = self.dm_3x3['c']
self.assertTrue(np.array_equal(obs, np.array([4.2, 12.0, 0.0])))
with self.assertRaises(MissingIDError):
self.dm_2x2['c']
def test_getitem_by_id_pair(self):
# Same object.
self.assertEqual(self.dm_1x1['a', 'a'], 0.0)
# Different objects (symmetric).
self.assertEqual(self.dm_3x3['b', 'c'], 12.0)
self.assertEqual(self.dm_3x3['c', 'b'], 12.0)
# Different objects (asymmetric).
self.assertEqual(self.dm_2x2_asym['a', 'b'], 1.0)
self.assertEqual(self.dm_2x2_asym['b', 'a'], -2.0)
with self.assertRaises(MissingIDError):
self.dm_2x2['a', 'c']
def test_getitem_ndarray_indexing(self):
# Single element access.
obs = self.dm_3x3[0, 1]
self.assertEqual(obs, 0.01)
# Single element access (via two __getitem__ calls).
obs = self.dm_3x3[0][1]
self.assertEqual(obs, 0.01)
# Row access.
obs = self.dm_3x3[1]
self.assertTrue(np.array_equal(obs, np.array([0.01, 0.0, 12.0])))
self.assertEqual(type(obs), np.ndarray)
# Grab all data.
obs = self.dm_3x3[:, :]
self.assertTrue(np.array_equal(obs, self.dm_3x3.data))
self.assertEqual(type(obs), np.ndarray)
with self.assertRaises(IndexError):
self.dm_3x3[:, 3]
def test_validate_invalid_dtype(self):
with self.assertRaises(DissimilarityMatrixError):
self.dm_3x3._validate(np.array([[0, 42], [42, 0]]), ['a', 'b'])
def test_validate_invalid_shape(self):
# first check it actually likes good matrices
self.dm_3x3._validate_shape(np.array([[0., 42.], [42., 0.]]))
# it checks just the shape, not the content
self.dm_3x3._validate_shape(np.array([[1., 2.], [3., 4.]]))
# empty array
with self.assertRaises(DissimilarityMatrixError):
self.dm_3x3._validate_shape(np.array([]))
# invalid shape
with self.assertRaises(DissimilarityMatrixError):
self.dm_3x3._validate_shape(np.array([[0., 42.],
[42., 0.],
[22., 22.]]))
with self.assertRaises(DissimilarityMatrixError):
self.dm_3x3._validate_shape(np.array([[[0., 42.], [42., 0.]],
[[0., 24.], [24., 0.]]]))
def test_validate_invalid_ids(self):
# repeated ids
with self.assertRaises(DissimilarityMatrixError):
self.dm_3x3._validate_ids(self.dm_3x3.data, ['a', 'a'])
# empty ids
with self.assertRaises(DissimilarityMatrixError):
self.dm_3x3._validate_ids(self.dm_3x3.data, [])
# invalid shape
with self.assertRaises(DissimilarityMatrixError):
self.dm_3x3._validate_ids(self.dm_3x3.data, ['a', 'b', 'c', 'd'])
class DistanceMatrixTestBase(DissimilarityMatrixTestData):
matobj = None
def setUp(self):
super(DistanceMatrixTestBase, self).setUp()
self.dm_1x1 = self.matobj(self.dm_1x1_data, ['a'])
self.dm_2x2 = self.matobj(self.dm_2x2_data, ['a', 'b'])
self.dm_3x3 = self.matobj(self.dm_3x3_data, ['a', 'b', 'c'])
self.dms = [self.dm_1x1, self.dm_2x2, self.dm_3x3]
self.dm_condensed_forms = [np.array([]), np.array([0.123]),
np.array([0.01, 4.2, 12.0])]
def test_init_from_condensed_form(self):
data = [1, 2, 3]
exp = self.matobj([[0, 1, 2],
[1, 0, 3],
[2, 3, 0]], ['0', '1', '2'])
res = self.matobj(data)
self.assertEqual(exp, res)
def test_init_invalid_input(self):
# Asymmetric.
data = [[0.0, 2.0], [1.0, 0.0]]
with self.assertRaises(DistanceMatrixError):
self.matobj(data, ['a', 'b'])
# Non-hollow
data = [[1.0, 2.0], [2.0, 1.0]]
with self.assertRaises(DistanceMatrixError):
self.matobj(data, ['a', 'b'])
# Ensure that the superclass validation is still being performed.
with self.assertRaises(DissimilarityMatrixError):
self.matobj([[1, 2, 3]], ['a'])
def test_init_nans(self):
with self.assertRaisesRegex(DistanceMatrixError, r'NaNs'):
self.matobj([[0.0, np.nan], [np.nan, 0.0]], ['a', 'b'])
def test_from_iterable_no_key(self):
iterable = (x for x in range(4))
exp = self.matobj([[0, 1, 2, 3],
[1, 0, 1, 2],
[2, 1, 0, 1],
[3, 2, 1, 0]])
res = self.matobj.from_iterable(iterable, lambda a, b: abs(b - a))
self.assertEqual(res, exp)
def test_from_iterable_validate_equal_valid_data(self):
validate_true = self.matobj.from_iterable((x for x in range(4)),
lambda a, b: abs(b - a),
validate=True)
validate_false = self.matobj.from_iterable((x for x in range(4)),
lambda a, b: abs(b - a),
validate=False)
self.assertEqual(validate_true, validate_false)
def test_from_iterable_validate_false(self):
iterable = (x for x in range(4))
exp = self.matobj([[0, 1, 2, 3],
[1, 0, 1, 2],
[2, 1, 0, 1],
[3, 2, 1, 0]])
res = self.matobj.from_iterable(iterable, lambda a, b: abs(b - a),
validate=False)
self.assertEqual(res, exp)
def test_from_iterable_validate_non_hollow(self):
iterable = (x for x in range(4))
with self.assertRaises(DistanceMatrixError):
self.matobj.from_iterable(iterable, lambda a, b: 1)
def test_from_iterable_validate_false_non_symmetric(self):
exp = self.matobj([[0, 1, 2, 3],
[1, 0, 1, 2],
[2, 1, 0, 1],
[3, 2, 1, 0]])
res = self.matobj.from_iterable((x for x in range(4)),
lambda a, b: a - b,
validate=False)
self.assertEqual(res, exp)
def test_from_iterable_validate_asym(self):
iterable = (x for x in range(4))
with self.assertRaises(DistanceMatrixError):
self.matobj.from_iterable(iterable, lambda a, b: b - a)
def test_from_iterable_with_key(self):
iterable = (x for x in range(4))
exp = self.matobj([[0, 1, 2, 3],
[1, 0, 1, 2],
[2, 1, 0, 1],
[3, 2, 1, 0]], ['0', '1', '4', '9'])
res = self.matobj.from_iterable(iterable, lambda a, b: abs(b - a),
key=lambda x: str(x**2))
self.assertEqual(res, exp)
def test_from_iterable_empty(self):
with self.assertRaises(DissimilarityMatrixError):
self.matobj.from_iterable([], lambda x: x)
def test_from_iterable_single(self):
exp = self.matobj([[0]])
res = self.matobj.from_iterable(["boo"], lambda a, b: 0)
self.assertEqual(res, exp)
def test_from_iterable_with_keys(self):
iterable = (x for x in range(4))
exp = self.matobj([[0, 1, 2, 3],
[1, 0, 1, 2],
[2, 1, 0, 1],
[3, 2, 1, 0]], ['0', '1', '4', '9'])
res = self.matobj.from_iterable(iterable, lambda a, b: abs(b - a),
keys=iter(['0', '1', '4', '9']))
self.assertEqual(res, exp)
def test_from_iterable_with_key_and_keys(self):
iterable = (x for x in range(4))
with self.assertRaises(ValueError):
self.matobj.from_iterable(iterable, lambda a, b: abs(b - a),
key=str, keys=['1', '2', '3', '4'])
def test_from_iterable_scipy_hamming_metric_with_metadata(self):
# test for #1254
seqs = [
Sequence('ACGT'),
Sequence('ACGA', metadata={'id': 'seq1'}),
Sequence('AAAA', metadata={'id': 'seq2'}),
Sequence('AAAA', positional_metadata={'qual': range(4)})
]
exp = self.matobj([
[0, 0.25, 0.75, 0.75],
[0.25, 0.0, 0.5, 0.5],
[0.75, 0.5, 0.0, 0.0],
[0.75, 0.5, 0.0, 0.0]], ['a', 'b', 'c', 'd'])
dm = self.matobj.from_iterable(
seqs,
metric=scipy.spatial.distance.hamming,
keys=['a', 'b', 'c', 'd'])
self.assertEqual(dm, exp)
def test_from_iterable_skbio_hamming_metric_with_metadata(self):
# test for #1254
seqs = [
Sequence('ACGT'),
Sequence('ACGA', metadata={'id': 'seq1'}),
Sequence('AAAA', metadata={'id': 'seq2'}),
Sequence('AAAA', positional_metadata={'qual': range(4)})
]
exp = self.matobj([
[0, 0.25, 0.75, 0.75],
[0.25, 0.0, 0.5, 0.5],
[0.75, 0.5, 0.0, 0.0],
[0.75, 0.5, 0.0, 0.0]], ['a', 'b', 'c', 'd'])
dm = self.matobj.from_iterable(
seqs,
metric=skbio.sequence.distance.hamming,
keys=['a', 'b', 'c', 'd'])
self.assertEqual(dm, exp)
def test_condensed_form(self):
for dm, condensed in zip(self.dms, self.dm_condensed_forms):
obs = dm.condensed_form()
self.assertTrue(np.array_equal(obs, condensed))
def test_permute_condensed(self):
# Can't really permute a 1x1 or 2x2...
for _ in range(2):
obs = self.dm_1x1.permute(condensed=True)
npt.assert_equal(obs, np.array([]))
for _ in range(2):
obs = self.dm_2x2.permute(condensed=True)
npt.assert_equal(obs, np.array([0.123]))
dm_copy = self.dm_3x3.copy()
obs = self.dm_3x3.permute(condensed=True, seed=3)
npt.assert_equal(obs, np.array([12.0, 4.2, 0.01]))
obs = self.dm_3x3.permute(condensed=True, seed=2)
npt.assert_equal(obs, np.array([4.2, 12.0, 0.01]))
# Ensure dm hasn't changed after calling permute() on it a couple of
# times.
self.assertEqual(self.dm_3x3, dm_copy)
def test_permute_not_condensed(self):
obs = self.dm_1x1.permute()
self.assertEqual(obs, self.dm_1x1)
self.assertFalse(obs is self.dm_1x1)
obs = self.dm_2x2.permute()
self.assertEqual(obs, self.dm_2x2)
self.assertFalse(obs is self.dm_2x2)
exp = self.matobj([[0, 12, 4.2],
[12, 0, 0.01],
[4.2, 0.01, 0]], self.dm_3x3.ids)
obs = self.dm_3x3.permute(seed=3)
self.assertEqual(obs, exp)
exp = self.matobj([[0, 4.2, 12],
[4.2, 0, 0.01],
[12, 0.01, 0]], self.dm_3x3.ids)
obs = self.dm_3x3.permute(seed=2)
self.assertEqual(obs, exp)
def test_eq(self):
# Compare DistanceMatrix to DissimilarityMatrix, where both have the
# same data and IDs.
eq_dm = DissimilarityMatrix(self.dm_3x3_data, ['a', 'b', 'c'])
self.assertTrue(self.dm_3x3 == eq_dm)
self.assertTrue(eq_dm == self.dm_3x3)
def test_to_series_1x1(self):
series = self.dm_1x1.to_series()
exp = pd.Series([], index=[], dtype='float64')
assert_series_almost_equal(series, exp)
def test_to_series_2x2(self):
series = self.dm_2x2.to_series()
exp = pd.Series([0.123], index=pd.Index([('a', 'b')]))
assert_series_almost_equal(series, exp)
def test_to_series_4x4(self):
dm = self.matobj([
[0.0, 0.2, 0.3, 0.4],
[0.2, 0.0, 0.5, 0.6],
[0.3, 0.5, 0.0, 0.7],
[0.4, 0.6, 0.7, 0.0]], ['a', 'b', 'c', 'd'])
series = dm.to_series()
exp = pd.Series([0.2, 0.3, 0.4, 0.5, 0.6, 0.7],
index=pd.Index([('a', 'b'), ('a', 'c'), ('a', 'd'),
('b', 'c'), ('b', 'd'), ('c', 'd')]))
assert_series_almost_equal(series, exp)
def test_to_series_default_ids(self):
series = self.matobj(self.dm_2x2_data).to_series()
exp = pd.Series([0.123], index=pd.Index([('0', '1')]))
assert_series_almost_equal(series, exp)
def test_validate_asym_shape(self):
# first check it actually likes good matrices
data_good = np.array([[0., 42.], [42., 0.]])
data_sym, data_hollow = is_symmetric_and_hollow(data_good)
self.assertEqual(data_sym, True)
del data_sym
self.assertEqual(data_hollow, True)
del data_hollow
data_sym = skbio.stats.distance._utils.is_symmetric(data_good)
self.assertEqual(data_sym, True)
del data_sym
data_hollow = skbio.stats.distance._utils.is_hollow(data_good)
self.assertEqual(data_hollow, True)
del data_hollow
self.dm_3x3._validate_shape(data_good)
del data_good
# _validate_shap checks just the shape, not the content
bad_data = np.array([[1., 2.], [3., 4.]])
data_sym, data_hollow = is_symmetric_and_hollow(bad_data)
self.assertEqual(data_sym, False)
del data_sym
self.assertEqual(data_hollow, False)
del data_hollow
data_sym = skbio.stats.distance._utils.is_symmetric(bad_data)
self.assertEqual(data_sym, False)
del data_sym
data_hollow = skbio.stats.distance._utils.is_hollow(bad_data)
self.assertEqual(data_hollow, False)
del data_hollow
self.dm_3x3._validate_shape(bad_data)
del bad_data
# re-try with partially bad data
bad_data = np.array([[0., 2.], [3., 0.]])
data_sym, data_hollow = is_symmetric_and_hollow(bad_data)
self.assertEqual(data_sym, False)
del data_sym
self.assertEqual(data_hollow, True)
del data_hollow
data_sym = skbio.stats.distance._utils.is_symmetric(bad_data)
self.assertEqual(data_sym, False)
del data_sym
data_hollow = skbio.stats.distance._utils.is_hollow(bad_data)
self.assertEqual(data_hollow, True)
del data_hollow
self.dm_3x3._validate_shape(bad_data)
del bad_data
def test_rename(self):
# Test successful renaming with a dictionary in strict mode (default)
dm = DistanceMatrix([[0, 1], [1, 0]], ids=['a', 'b'])
rename_dict = {'a': 'x', 'b': 'y'}
dm.rename(rename_dict)
exp = ('x', 'y')
self.assertEqual(dm.ids, exp)
# Test successful renaming with a function in strict mode (default)
dm = DistanceMatrix([[0, 1], [1, 0]], ids=['a', 'b'])
rename_func = lambda x: x + '_1'
dm.rename(rename_func)
exp = ('a_1', 'b_1')
self.assertEqual(dm.ids, exp)
# Test renaming in non-strict mode where one ID is not included in the dictionary
dm = DistanceMatrix([[0, 1], [1, 0]], ids=['a', 'b'])
rename_dict = {'a': 'x'} # 'b' will retain its original ID
dm.rename(rename_dict, strict=False)
exp = ('x', 'b')
self.assertEqual(dm.ids, exp)
# Test that renaming with strict=True raises an error if not all IDs are included
dm = DistanceMatrix([[0, 1], [1, 0]], ids=['a', 'b'])
rename_dict = {'a': 'x'} # Missing 'b'
with self.assertRaises(ValueError):
dm.rename(rename_dict, strict=True)
class RandomDistanceMatrixTests(TestCase):
def test_default_usage(self):
exp = DistanceMatrix(np.asarray([[0.0]]), ['1'])
obs = randdm(1)
self.assertEqual(obs, exp)
obs = randdm(2)
self.assertEqual(obs.shape, (2, 2))
self.assertEqual(obs.ids, ('1', '2'))
obs1 = randdm(5)
num_trials = 10
found_diff = False
for _ in range(num_trials):
obs2 = randdm(5)
if obs1 != obs2:
found_diff = True
break
self.assertTrue(found_diff)
def test_large_matrix_for_symmetry(self):
obs3 = randdm(100)
self.assertEqual(obs3, obs3.T)
def test_ids(self):
ids = ['foo', 'bar', 'baz']
obs = randdm(3, ids=ids)
self.assertEqual(obs.shape, (3, 3))
self.assertEqual(obs.ids, tuple(ids))
def test_constructor(self):
exp = DissimilarityMatrix(np.asarray([[0.0]]), ['1'])
obs = randdm(1, constructor=DissimilarityMatrix)
self.assertEqual(obs, exp)
self.assertEqual(type(obs), DissimilarityMatrix)
def test_random_fn(self):
def myrand(size):
# One dm to rule them all...
data = np.empty(size)
data.fill(42)
return data
exp = DistanceMatrix(np.asarray([[0, 42, 42], [42, 0, 42],
[42, 42, 0]]), ['1', '2', '3'])
obs = randdm(3, random_fn=myrand)
self.assertEqual(obs, exp)
def test_random_seed(self):
obs = randdm(5, random_fn=42).data
exp = np.array([[0., 0.97562235, 0.37079802, 0.22723872, 0.75808774],
[0.97562235, 0., 0.92676499, 0.55458479, 0.35452597],
[0.37079802, 0.92676499, 0., 0.06381726, 0.97069802],
[0.22723872, 0.55458479, 0.06381726, 0., 0.89312112],
[0.75808774, 0.35452597, 0.97069802, 0.89312112, 0.]])
npt.assert_almost_equal(obs, exp)
def test_invalid_input(self):
# Invalid dimensions.
with self.assertRaises(DissimilarityMatrixError):
randdm(0)
# Invalid dimensions.
with self.assertRaises(ValueError):
randdm(-1)
# Invalid number of IDs.
with self.assertRaises(DissimilarityMatrixError):
randdm(2, ids=['foo'])
class CategoricalStatsHelperFunctionTests(TestCase):
def setUp(self):
self.dm = DistanceMatrix([[0.0, 1.0, 2.0],
[1.0, 0.0, 3.0],
[2.0, 3.0, 0.0]], ['a', 'b', 'c'])
self.grouping = [1, 2, 1]
# Ordering of IDs shouldn't matter, nor should extra IDs.
self.df = pd.read_csv(
io.StringIO('ID,Group\nb,Group2\na,Group1\nc,Group1\nd,Group3'),
index_col=0)
self.df_missing_id = pd.read_csv(
io.StringIO('ID,Group\nb,Group2\nc,Group1'), index_col=0)
def test_preprocess_input_with_valid_input(self):
# Should obtain same result using grouping vector or data frame.
exp = (3, 2, np.array([0, 1, 0]),
(np.array([0, 0, 1]), np.array([1, 2, 2])),
np.array([1., 2., 3.]))
obs = _preprocess_input(self.dm, self.grouping, None)
npt.assert_equal(obs, exp)
obs = _preprocess_input(self.dm, self.df, 'Group')
npt.assert_equal(obs, exp)
def test_preprocess_input_raises_error(self):
# Requires a DistanceMatrix.
with self.assertRaises(TypeError):
_preprocess_input(
DissimilarityMatrix([[0, 2], [3, 0]], ['a', 'b']),
[1, 2], None)
# Requires column if DataFrame.
with self.assertRaises(ValueError):
_preprocess_input(self.dm, self.df, None)
# Cannot provide column if not data frame.
with self.assertRaises(ValueError):
_preprocess_input(self.dm, self.grouping, 'Group')
# Column must exist in data frame.
with self.assertRaises(ValueError):
_preprocess_input(self.dm, self.df, 'foo')
# All distance matrix IDs must be in data frame.
with self.assertRaises(ValueError):
_preprocess_input(self.dm, self.df_missing_id, 'Group')
# Grouping vector length must match number of objects in dm.
with self.assertRaises(ValueError):
_preprocess_input(self.dm, [1, 2], None)
# Grouping vector cannot have only unique values.
with self.assertRaises(ValueError):
_preprocess_input(self.dm, [1, 2, 3], None)
# Grouping vector cannot have only a single group.
with self.assertRaises(ValueError):
_preprocess_input(self.dm, [1, 1, 1], None)
def test_run_monte_carlo_stats_with_permutations(self):
obs = _run_monte_carlo_stats(lambda e: 42, self.grouping, 50)
npt.assert_equal(obs, (42, 1.0))
def test_run_monte_carlo_stats_no_permutations(self):
obs = _run_monte_carlo_stats(lambda e: 42, self.grouping, 0)
npt.assert_equal(obs, (42, np.nan))
def test_run_monte_carlo_stats_invalid_permutations(self):
with self.assertRaises(ValueError):
_run_monte_carlo_stats(lambda e: 42, self.grouping, -1)
class DissimilarityMatrixTests(DissimilarityMatrixTestBase, TestCase):
matobj = DissimilarityMatrix
def setUp(self):
super(DissimilarityMatrixTests, self).setUp()
class DistanceMatrixTests(DistanceMatrixTestBase, TestCase):
matobj = DistanceMatrix
def setUp(self):
super(DistanceMatrixTests, self).setUp()
if __name__ == '__main__':
main()
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