def test_paralinear_distance(self):
"""calculate paralinear variance consistent with hand calculation"""
data = [
('seq1',
"GGGGGGGGGGGCCCCCCCCCCCCCCCCCGGGGGGGGGGGGGGGCGGTTTTTTTTTTTTTTTTTT"
),
('seq2',
"TAAAAAAAAAAGGGGGGGGGGGGGGGGGGTTTTTTTTTTTTTTTTTTCCCCCCCCCCCCCCCCC"
)
]
aln = LoadSeqs(data=data, moltype=DNA)
paralinear_calc = ParalinearPair(moltype=DNA, alignment=aln)
paralinear_calc.run(show_progress=False)
index = dict(zip('ACGT', range(4)))
J = numpy.zeros((4, 4))
for p in zip(data[0][1], data[1][1]):
J[index[p[0]], index[p[1]]] += 1
for i in range(4):
if J[i, i] == 0:
J[i, i] += 0.5
J /= J.sum()
M = numpy.linalg.inv(J)
f = J.sum(1), J.sum(0)
dist = -0.25 * numpy.log( numpy.linalg.det(J) / \
numpy.sqrt(f[0].prod() * f[1].prod()) )
self.assertFloatEqual(paralinear_calc.Dists[1, 1], dist, eps=1e-3)
def test_paralinear_variance(self):
"""calculate paralinear variance consistent with hand calculation"""
data = [
('seq1',
"GGGGGGGGGGGCCCCCCCCCCCCCCCCCGGGGGGGGGGGGGGGCGGTTTTTTTTTTTTTTTTTT"
),
('seq2',
"TAAAAAAAAAAGGGGGGGGGGGGGGGGGGTTTTTTTTTTTTTTTTTTCCCCCCCCCCCCCCCCC"
)
]
aln = LoadSeqs(data=data, moltype=DNA)
paralinear_calc = ParalinearPair(moltype=DNA, alignment=aln)
paralinear_calc.run(show_progress=False)
index = dict(zip('ACGT', range(4)))
J = numpy.zeros((4, 4))
for p in zip(data[0][1], data[1][1]):
J[index[p[0]], index[p[1]]] += 1
for i in range(4):
if J[i, i] == 0:
J[i, i] += 0.5
J /= J.sum()
M = numpy.linalg.inv(J)
f = J.sum(1), J.sum(0)
var = 0.
for i in range(4):
for j in range(4):
var += M[j, i]**2 * J[i, j]
var -= 1 / numpy.sqrt(f[0][i] * f[1][i])
var /= 16 * len(data[0][1])
self.assertFloatEqual(paralinear_calc.Variances[1, 1], var, eps=1e-3)
def test_paralinear_variance(self):
"""calculate paralinear variance consistent with hand calculation"""
data = [('seq1', "GGGGGGGGGGGCCCCCCCCCCCCCCCCCGGGGGGGGGGGGGGGCGGTTTTTTTTTTTTTTTTTT"),
('seq2', "TAAAAAAAAAAGGGGGGGGGGGGGGGGGGTTTTTTTTTTTTTTTTTTCCCCCCCCCCCCCCCCC")]
aln = LoadSeqs(data=data, moltype=DNA)
paralinear_calc = ParalinearPair(moltype=DNA, alignment=aln)
paralinear_calc.run(show_progress=False)
index = dict(zip('ACGT', range(4)))
J = numpy.zeros((4, 4))
for p in zip(data[0][1], data[1][1]):
J[index[p[0]], index[p[1]]] += 1
for i in range(4):
if J[i, i] == 0:
J[i, i] += 0.5
J /= J.sum()
M = numpy.linalg.inv(J)
f = J.sum(1), J.sum(0)
var = 0.
for i in range(4):
for j in range(4):
var += M[j, i]**2 * J[i, j]
var -= 1 / numpy.sqrt(f[0][i] * f[1][i])
var /= 16 * len(data[0][1])
self.assertFloatEqual(paralinear_calc.Variances[1,1], var, eps=1e-3)
def test_paralinear_pair_aa(self):
"""paralinear shouldn't fail to produce distances for aa seqs"""
aln = LoadSeqs('data/brca1_5.paml', moltype=DNA)
aln = aln.getTranslation()
paralinear_calc = ParalinearPair(moltype=PROTEIN, alignment=aln)
paralinear_calc.run(show_progress=False)
dists = paralinear_calc.getPairwiseDistances()
def test_paralinear_pair_aa(self):
"""paralinear shouldn't fail to produce distances for aa seqs"""
aln = LoadSeqs('data/brca1_5.paml', moltype=DNA)
aln = aln.getTranslation()
paralinear_calc = ParalinearPair(moltype=PROTEIN, alignment=aln)
paralinear_calc.run(show_progress=False)
dists = paralinear_calc.getPairwiseDistances()
def get_paralinear_distances(gene, data_directory=None, third_position=False, **kw):
filenames = glob.glob(os.path.join(data_directory, gene+'.fasta*'))
assert len(filenames) == 1, 'Wrong number of alignment files for ' + gene
filename = filenames[0]
if filename.endswith('.fasta'):
with open(filename) as fastafile:
fastadata = fastafile.read()
elif filename.endswith('.fasta.gz'):
with GzipFile(filename) as fastafile:
fastadata = fastafile.read()
else:
raise RuntimeError(gene + ' file could not be read')
sequences = LoadSeqs(data=fastadata)
if third_position:
indices = [(i, i+1) for i in range(len(sequences))[2::3]]
pos3 = sequences.addFeature('pos3', 'pos3', indices)
sequences = pos3.getSlice()
sequences = sequences.filtered(lambda x: set(''.join(x)) <= set(DNA))
paralinear_calc = ParalinearPair(moltype=DNA, alignment=sequences)
paralinear_calc.run(show_progress=False)
dists = paralinear_calc.getPairwiseDistances()
return {frozenset(k):v for k, v in dists.items()}
def test_paralinear_pair_dna(self):
"""calculate paralinear distance consistent with logdet distance"""
data = [('seq1', 'TAATTCATTGGGACGTCGAATCCGGCAGTCCTGCCGCAAAAGCTTCCGGAATCGAATTTTGGCA'),
('seq2', 'AAAAAAAAAAAAAAAACCCCCCCCCCCCCCCCTTTTTTTTTTTTTTTTGGGGGGGGGGGGGGGG')]
aln = LoadSeqs(data=data, moltype=DNA)
paralinear_calc = ParalinearPair(moltype=DNA, alignment=aln)
paralinear_calc.run(show_progress=False)
logdet_calc = LogDetPair(moltype=DNA, alignment=aln)
logdet_calc.run(show_progress=False)
self.assertFloatEqual(logdet_calc.Dists[1,1],
paralinear_calc.Dists[1,1], eps=1e-3)
self.assertFloatEqual(paralinear_calc.Variances[1,1],
logdet_calc.Variances[1,1], eps=1e-3)
def test_paralinear_pair_dna(self):
"""calculate paralinear distance consistent with logdet distance"""
data = [
('seq1',
'TAATTCATTGGGACGTCGAATCCGGCAGTCCTGCCGCAAAAGCTTCCGGAATCGAATTTTGGCA'
),
('seq2',
'AAAAAAAAAAAAAAAACCCCCCCCCCCCCCCCTTTTTTTTTTTTTTTTGGGGGGGGGGGGGGGG'
)
]
aln = LoadSeqs(data=data, moltype=DNA)
paralinear_calc = ParalinearPair(moltype=DNA, alignment=aln)
paralinear_calc.run(show_progress=False)
logdet_calc = LogDetPair(moltype=DNA, alignment=aln)
logdet_calc.run(show_progress=False)
self.assertFloatEqual(logdet_calc.Dists[1, 1],
paralinear_calc.Dists[1, 1],
eps=1e-3)
self.assertFloatEqual(paralinear_calc.Variances[1, 1],
logdet_calc.Variances[1, 1],
eps=1e-3)
def test_paralinear_distance(self):
"""calculate paralinear variance consistent with hand calculation"""
data = [('seq1', "GGGGGGGGGGGCCCCCCCCCCCCCCCCCGGGGGGGGGGGGGGGCGGTTTTTTTTTTTTTTTTTT"),
('seq2', "TAAAAAAAAAAGGGGGGGGGGGGGGGGGGTTTTTTTTTTTTTTTTTTCCCCCCCCCCCCCCCCC")]
aln = LoadSeqs(data=data, moltype=DNA)
paralinear_calc = ParalinearPair(moltype=DNA, alignment=aln)
paralinear_calc.run(show_progress=False)
index = dict(zip('ACGT', range(4)))
J = numpy.zeros((4, 4))
for p in zip(data[0][1], data[1][1]):
J[index[p[0]], index[p[1]]] += 1
for i in range(4):
if J[i, i] == 0:
J[i, i] += 0.5
J /= J.sum()
M = numpy.linalg.inv(J)
f = J.sum(1), J.sum(0)
dist = -0.25 * numpy.log( numpy.linalg.det(J) / \
numpy.sqrt(f[0].prod() * f[1].prod()) )
self.assertFloatEqual(paralinear_calc.Dists[1,1], dist, eps=1e-3)
def test_paralinear_for_determinant_lte_zero(self):
"""returns distance of None if the determinant is <= 0"""
data = dict(
seq1=
"AGGGGGGGGGGCCCCCCCCCCCCCCCCCGGGGGGGGGGGGGGGCGGTTTTTTTTTTTTTTTTTT",
seq2=
"TAAAAAAAAAAGGGGGGGGGGGGGGGGGGTTTTTTTTTTTTTTTTTTCCCCCCCCCCCCCCCCC")
aln = LoadSeqs(data=data, moltype=DNA)
paralinear_calc = ParalinearPair(moltype=DNA, alignment=aln)
paralinear_calc.run(show_progress=False)
dists = paralinear_calc.getPairwiseDistances()
self.assertTrue(dists.values()[0] is None)
paralinear_calc.run(show_progress=False)
dists = paralinear_calc.getPairwiseDistances()
self.assertTrue(dists.values()[0] is None)
def test_paralinear_for_determinant_lte_zero(self):
"""returns distance of None if the determinant is <= 0"""
data = dict(seq1="AGGGGGGGGGGCCCCCCCCCCCCCCCCCGGGGGGGGGGGGGGGCGGTTTTTTTTTTTTTTTTTT",
seq2="TAAAAAAAAAAGGGGGGGGGGGGGGGGGGTTTTTTTTTTTTTTTTTTCCCCCCCCCCCCCCCCC")
aln = LoadSeqs(data=data, moltype=DNA)
paralinear_calc = ParalinearPair(moltype=DNA, alignment=aln)
paralinear_calc.run(show_progress=False)
dists = paralinear_calc.getPairwiseDistances()
self.assertTrue(dists.values()[0] is None)
paralinear_calc.run(show_progress=False)
dists = paralinear_calc.getPairwiseDistances()
self.assertTrue(dists.values()[0] is None)