#
# Author: Damian Eads
# Date: April 17, 2008
#
# Copyright (C) 2008 Damian Eads
#
# Redistribution and use in source and binary forms, with or without
# modification, are permitted provided that the following conditions
# are met:
#
# 1. Redistributions of source code must retain the above copyright
# notice, this list of conditions and the following disclaimer.
#
# 2. Redistributions in binary form must reproduce the above
# copyright notice, this list of conditions and the following
# disclaimer in the documentation and/or other materials provided
# with the distribution.
#
# 3. The name of the author may not be used to endorse or promote
# products derived from this software without specific prior
# written permission.
#
# THIS SOFTWARE IS PROVIDED BY THE AUTHOR ``AS IS'' AND ANY EXPRESS
# OR IMPLIED WARRANTIES, INCLUDING, BUT NOT LIMITED TO, THE IMPLIED
# WARRANTIES OF MERCHANTABILITY AND FITNESS FOR A PARTICULAR PURPOSE
# ARE DISCLAIMED. IN NO EVENT SHALL THE AUTHOR BE LIABLE FOR ANY
# DIRECT, INDIRECT, INCIDENTAL, SPECIAL, EXEMPLARY, OR CONSEQUENTIAL
# DAMAGES (INCLUDING, BUT NOT LIMITED TO, PROCUREMENT OF SUBSTITUTE
# GOODS OR SERVICES; LOSS OF USE, DATA, OR PROFITS; OR BUSINESS
# INTERRUPTION) HOWEVER CAUSED AND ON ANY THEORY OF LIABILITY,
# WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT (INCLUDING
# NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE OF THIS
# SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE.
from __future__ import division, print_function, absolute_import
import numpy as np
from numpy.testing import assert_allclose, assert_equal, assert_, assert_warns
import pytest
from pytest import raises as assert_raises
from scipy._lib.six import xrange, u
import scipy.cluster.hierarchy
from scipy.cluster.hierarchy import (
ClusterWarning, linkage, from_mlab_linkage, to_mlab_linkage,
num_obs_linkage, inconsistent, cophenet, fclusterdata, fcluster,
is_isomorphic, single, leaders, complete, weighted, centroid,
correspond, is_monotonic, maxdists, maxinconsts, maxRstat,
is_valid_linkage, is_valid_im, to_tree, leaves_list, dendrogram,
set_link_color_palette, cut_tree, optimal_leaf_ordering,
_order_cluster_tree, _hierarchy, _LINKAGE_METHODS)
from scipy.spatial.distance import pdist
from scipy.cluster._hierarchy import Heap
from . import hierarchy_test_data
# Matplotlib is not a scipy dependency but is optionally used in dendrogram, so
# check if it's available
try:
import matplotlib
# and set the backend to be Agg (no gui)
matplotlib.use('Agg')
# before importing pyplot
import matplotlib.pyplot as plt
have_matplotlib = True
except Exception:
have_matplotlib = False
class TestLinkage(object):
def test_linkage_non_finite_elements_in_distance_matrix(self):
# Tests linkage(Y) where Y contains a non-finite element (e.g. NaN or Inf).
# Exception expected.
y = np.zeros((6,))
y[0] = np.nan
assert_raises(ValueError, linkage, y)
def test_linkage_empty_distance_matrix(self):
# Tests linkage(Y) where Y is a 0x4 linkage matrix. Exception expected.
y = np.zeros((0,))
assert_raises(ValueError, linkage, y)
def test_linkage_tdist(self):
for method in ['single', 'complete', 'average', 'weighted', u('single')]:
self.check_linkage_tdist(method)
def check_linkage_tdist(self, method):
# Tests linkage(Y, method) on the tdist data set.
Z = linkage(hierarchy_test_data.ytdist, method)
expectedZ = getattr(hierarchy_test_data, 'linkage_ytdist_' + method)
assert_allclose(Z, expectedZ, atol=1e-10)
def test_linkage_X(self):
for method in ['centroid', 'median', 'ward']:
self.check_linkage_q(method)
def check_linkage_q(self, method):
# Tests linkage(Y, method) on the Q data set.
Z = linkage(hierarchy_test_data.X, method)
expectedZ = getattr(hierarchy_test_data, 'linkage_X_' + method)
assert_allclose(Z, expectedZ, atol=1e-06)
y = scipy.spatial.distance.pdist(hierarchy_test_data.X,
metric="euclidean")
Z = linkage(y, method)
assert_allclose(Z, expectedZ, atol=1e-06)
def test_compare_with_trivial(self):
rng = np.random.RandomState(0)
n = 20
X = rng.rand(n, 2)
d = pdist(X)
for method, code in _LINKAGE_METHODS.items():
Z_trivial = _hierarchy.linkage(d, n, code)
Z = linkage(d, method)
assert_allclose(Z_trivial, Z, rtol=1e-14, atol=1e-15)
def test_optimal_leaf_ordering(self):
Z = linkage(hierarchy_test_data.ytdist, optimal_ordering=True)
expectedZ = getattr(hierarchy_test_data, 'linkage_ytdist_single_olo')
assert_allclose(Z, expectedZ, atol=1e-10)
class TestLinkageTies(object):
_expectations = {
'single': np.array([[0, 1, 1.41421356, 2],
[2, 3, 1.41421356, 3]]),
'complete': np.array([[0, 1, 1.41421356, 2],
[2, 3, 2.82842712, 3]]),
'average': np.array([[0, 1, 1.41421356, 2],
[2, 3, 2.12132034, 3]]),
'weighted': np.array([[0, 1, 1.41421356, 2],
[2, 3, 2.12132034, 3]]),
'centroid': np.array([[0, 1, 1.41421356, 2],
[2, 3, 2.12132034, 3]]),
'median': np.array([[0, 1, 1.41421356, 2],
[2, 3, 2.12132034, 3]]),
'ward': np.array([[0, 1, 1.41421356, 2],
[2, 3, 2.44948974, 3]]),
}
def test_linkage_ties(self):
for method in ['single', 'complete', 'average', 'weighted', 'centroid', 'median', 'ward']:
self.check_linkage_ties(method)
def check_linkage_ties(self, method):
X = np.array([[-1, -1], [0, 0], [1, 1]])
Z = linkage(X, method=method)
expectedZ = self._expectations[method]
assert_allclose(Z, expectedZ, atol=1e-06)
class TestInconsistent(object):
def test_inconsistent_tdist(self):
for depth in hierarchy_test_data.inconsistent_ytdist:
self.check_inconsistent_tdist(depth)
def check_inconsistent_tdist(self, depth):
Z = hierarchy_test_data.linkage_ytdist_single
assert_allclose(inconsistent(Z, depth),
hierarchy_test_data.inconsistent_ytdist[depth])
class TestCopheneticDistance(object):
def test_linkage_cophenet_tdist_Z(self):
# Tests cophenet(Z) on tdist data set.
expectedM = np.array([268, 295, 255, 255, 295, 295, 268, 268, 295, 295,
295, 138, 219, 295, 295])
Z = hierarchy_test_data.linkage_ytdist_single
M = cophenet(Z)
assert_allclose(M, expectedM, atol=1e-10)
def test_linkage_cophenet_tdist_Z_Y(self):
# Tests cophenet(Z, Y) on tdist data set.
Z = hierarchy_test_data.linkage_ytdist_single
(c, M) = cophenet(Z, hierarchy_test_data.ytdist)
expectedM = np.array([268, 295, 255, 255, 295, 295, 268, 268, 295, 295,
295, 138, 219, 295, 295])
expectedc = 0.639931296433393415057366837573
assert_allclose(c, expectedc, atol=1e-10)
assert_allclose(M, expectedM, atol=1e-10)
class TestMLabLinkageConversion(object):
def test_mlab_linkage_conversion_empty(self):
# Tests from/to_mlab_linkage on empty linkage array.
X = np.asarray([])
assert_equal(from_mlab_linkage([]), X)
assert_equal(to_mlab_linkage([]), X)
def test_mlab_linkage_conversion_single_row(self):
# Tests from/to_mlab_linkage on linkage array with single row.
Z = np.asarray([[0., 1., 3., 2.]])
Zm = [[1, 2, 3]]
assert_equal(from_mlab_linkage(Zm), Z)
assert_equal(to_mlab_linkage(Z), Zm)
def test_mlab_linkage_conversion_multiple_rows(self):
# Tests from/to_mlab_linkage on linkage array with multiple rows.
Zm = np.asarray([[3, 6, 138], [4, 5, 219],
[1, 8, 255], [2, 9, 268], [7, 10, 295]])
Z = np.array([[2., 5., 138., 2.],
[3., 4., 219., 2.],
[0., 7., 255., 3.],
[1., 8., 268., 4.],
[6., 9., 295., 6.]],
dtype=np.double)
assert_equal(from_mlab_linkage(Zm), Z)
assert_equal(to_mlab_linkage(Z), Zm)
class TestFcluster(object):
def test_fclusterdata(self):
for t in hierarchy_test_data.fcluster_inconsistent:
self.check_fclusterdata(t, 'inconsistent')
for t in hierarchy_test_data.fcluster_distance:
self.check_fclusterdata(t, 'distance')
for t in hierarchy_test_data.fcluster_maxclust:
self.check_fclusterdata(t, 'maxclust')
def check_fclusterdata(self, t, criterion):
# Tests fclusterdata(X, criterion=criterion, t=t) on a random 3-cluster data set.
expectedT = getattr(hierarchy_test_data, 'fcluster_' + criterion)[t]
X = hierarchy_test_data.Q_X
T = fclusterdata(X, criterion=criterion, t=t)
assert_(is_isomorphic(T, expectedT))
def test_fcluster(self):
for t in hierarchy_test_data.fcluster_inconsistent:
self.check_fcluster(t, 'inconsistent')
for t in hierarchy_test_data.fcluster_distance:
self.check_fcluster(t, 'distance')
for t in hierarchy_test_data.fcluster_maxclust:
self.check_fcluster(t, 'maxclust')
def check_fcluster(self, t, criterion):
# Tests fcluster(Z, criterion=criterion, t=t) on a random 3-cluster data set.
expectedT = getattr(hierarchy_test_data, 'fcluster_' + criterion)[t]
Z = single(hierarchy_test_data.Q_X)
T = fcluster(Z, criterion=criterion, t=t)
assert_(is_isomorphic(T, expectedT))
def test_fcluster_monocrit(self):
for t in hierarchy_test_data.fcluster_distance:
self.check_fcluster_monocrit(t)
for t in hierarchy_test_data.fcluster_maxclust:
self.check_fcluster_maxclust_monocrit(t)
def check_fcluster_monocrit(self, t):
expectedT = hierarchy_test_data.fcluster_distance[t]
Z = single(hierarchy_test_data.Q_X)
T = fcluster(Z, t, criterion='monocrit', monocrit=maxdists(Z))
assert_(is_isomorphic(T, expectedT))
def check_fcluster_maxclust_monocrit(self, t):
expectedT = hierarchy_test_data.fcluster_maxclust[t]
Z = single(hierarchy_test_data.Q_X)
T = fcluster(Z, t, criterion='maxclust_monocrit', monocrit=maxdists(Z))
assert_(is_isomorphic(T, expectedT))
class TestLeaders(object):
def test_leaders_single(self):
# Tests leaders using a flat clustering generated by single linkage.
X = hierarchy_test_data.Q_X
Y = pdist(X)
Z = linkage(Y)
T = fcluster(Z, criterion='maxclust', t=3)
Lright = (np.array([53, 55, 56]), np.array([2, 3, 1]))
L = leaders(Z, T)
assert_equal(L, Lright)
class TestIsIsomorphic(object):
def test_is_isomorphic_1(self):
# Tests is_isomorphic on test case #1 (one flat cluster, different labellings)
a = [1, 1, 1]
b = [2, 2, 2]
assert_(is_isomorphic(a, b))
assert_(is_isomorphic(b, a))
def test_is_isomorphic_2(self):
# Tests is_isomorphic on test case #2 (two flat clusters, different labelings)
a = [1, 7, 1]
b = [2, 3, 2]
assert_(is_isomorphic(a, b))
assert_(is_isomorphic(b, a))
def test_is_isomorphic_3(self):
# Tests is_isomorphic on test case #3 (no flat clusters)
a = []
b = []
assert_(is_isomorphic(a, b))
def test_is_isomorphic_4A(self):
# Tests is_isomorphic on test case #4A (3 flat clusters, different labelings, isomorphic)
a = [1, 2, 3]
b = [1, 3, 2]
assert_(is_isomorphic(a, b))
assert_(is_isomorphic(b, a))
def test_is_isomorphic_4B(self):
# Tests is_isomorphic on test case #4B (3 flat clusters, different labelings, nonisomorphic)
a = [1, 2, 3, 3]
b = [1, 3, 2, 3]
assert_(is_isomorphic(a, b) == False)
assert_(is_isomorphic(b, a) == False)
def test_is_isomorphic_4C(self):
# Tests is_isomorphic on test case #4C (3 flat clusters, different labelings, isomorphic)
a = [7, 2, 3]
b = [6, 3, 2]
assert_(is_isomorphic(a, b))
assert_(is_isomorphic(b, a))
def test_is_isomorphic_5(self):
# Tests is_isomorphic on test case #5 (1000 observations, 2/3/5 random
# clusters, random permutation of the labeling).
for nc in [2, 3, 5]:
self.help_is_isomorphic_randperm(1000, nc)
def test_is_isomorphic_6(self):
# Tests is_isomorphic on test case #5A (1000 observations, 2/3/5 random
# clusters, random permutation of the labeling, slightly
# nonisomorphic.)
for nc in [2, 3, 5]:
self.help_is_isomorphic_randperm(1000, nc, True, 5)
def test_is_isomorphic_7(self):
# Regression test for gh-6271
assert_(not is_isomorphic([1, 2, 3], [1, 1, 1]))
def help_is_isomorphic_randperm(self, nobs, nclusters, noniso=False, nerrors=0):
for k in range(3):
a = np.int_(np.random.rand(nobs) * nclusters)
b = np.zeros(a.size, dtype=np.int_)
P = np.random.permutation(nclusters)
for i in xrange(0, a.shape[0]):
b[i] = P[a[i]]
if noniso:
Q = np.random.permutation(nobs)
b[Q[0:nerrors]] += 1
b[Q[0:nerrors]] %= nclusters
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