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r"""
Ordination results format (:mod:`skbio.io.format.ordination`)
=============================================================
.. currentmodule:: skbio.io.format.ordination
The ordination results file format (``ordination``) stores the results of an
ordination method in a human-readable, text-based format. The format supports
storing the results of various ordination methods available in scikit-bio,
including (but not necessarily limited to) PCoA, CA, RDA, and CCA.
Format Support
--------------
**Has Sniffer: Yes**
+------+------+---------------------------------------------------------------+
|Reader|Writer| Object Class |
+======+======+===============================================================+
|Yes |Yes |:mod:`skbio.stats.ordination.OrdinationResults` |
+------+------+---------------------------------------------------------------+
Format Specification
--------------------
The format is text-based, consisting of six attributes that describe the
ordination results:
- ``Eigvals``: 1-D
- ``Proportion explained``: 1-D
- ``Species``: 2-D
- ``Site``: 2-D
- ``Biplot``: 2-D
- ``Site constraints``: 2-D
The attributes in the file *must* be in this order.
Each attribute is defined in its own section of the file, where sections are
separated by a blank (or whitespace-only) line. Each attribute begins with a
header line, which contains the attribute's name (as listed above), followed by
a tab character, followed by one or more tab-separated dimensions (integers)
that describe the shape of the attribute's data.
The attribute's data follows its header line, and is stored in tab-separated
format. ``Species``, ``Site``, and ``Site constraints`` store species and site
IDs, respectively, as the first column, followed by the 2-D data array.
An example of this file format might look like::
Eigvals<tab>4
0.36<tab>0.18<tab>0.07<tab>0.08
Proportion explained<tab>4
0.46<tab>0.23<tab>0.10<tab>0.10
Species<tab>9<tab>4
Species0<tab>0.11<tab>0.28<tab>-0.20<tab>-0.00
Species1<tab>0.14<tab>0.30<tab>0.39<tab>-0.14
Species2<tab>-1.01<tab>0.09<tab>-0.19<tab>-0.10
Species3<tab>-1.03<tab>0.10<tab>0.22<tab>0.22
Species4<tab>1.05<tab>0.53<tab>-0.43<tab>0.22
Species5<tab>0.99<tab>0.57<tab>0.67<tab>-0.38
Species6<tab>0.25<tab>-0.17<tab>-0.20<tab>0.43
Species7<tab>0.14<tab>-0.85<tab>-0.01<tab>0.05
Species8<tab>0.41<tab>-0.70<tab>0.21<tab>-0.69
Site<tab>10<tab>4
Site0<tab>0.71<tab>-3.08<tab>0.21<tab>-1.24
Site1<tab>0.58<tab>-3.00<tab>-0.94<tab>2.69
Site2<tab>0.76<tab>-3.15<tab>2.13<tab>-3.11
Site3<tab>1.11<tab>1.07<tab>-1.87<tab>0.66
Site4<tab>-0.97<tab>-0.06<tab>-0.69<tab>-0.61
Site5<tab>1.04<tab>0.45<tab>-0.63<tab>0.28
Site6<tab>-0.95<tab>-0.08<tab>0.13<tab>-0.42
Site7<tab>0.94<tab>-0.10<tab>0.52<tab>-0.00
Site8<tab>-1.14<tab>0.49<tab>0.47<tab>1.17
Site9<tab>1.03<tab>1.03<tab>2.74<tab>-1.28
Biplot<tab>3<tab>3
-0.16<tab>0.63<tab>0.76
-0.99<tab>0.06<tab>-0.04
0.18<tab>-0.97<tab>0.03
Site constraints<tab>10<tab>4
Site0<tab>0.69<tab>-3.08<tab>-0.32<tab>-1.24
Site1<tab>0.66<tab>-3.06<tab>0.23<tab>2.69
Site2<tab>0.63<tab>-3.04<tab>0.78<tab>-3.11
Site3<tab>1.10<tab>0.50<tab>-1.55<tab>0.66
Site4<tab>-0.97<tab>0.06<tab>-1.12<tab>-0.61
Site5<tab>1.05<tab>0.53<tab>-0.43<tab>0.28
Site6<tab>-1.02<tab>0.10<tab>-0.00<tab>-0.42
Site7<tab>0.99<tab>0.57<tab>0.67<tab>-0.00
Site8<tab>-1.08<tab>0.13<tab>1.11<tab>1.17
Site9<tab>0.94<tab>0.61<tab>1.79<tab>-1.28
If a given result attribute is not present (e.g. ``Biplot``), it should still
be defined and declare its dimensions as 0. For example::
Biplot<tab>0<tab>0
All attributes are optional except for ``Eigvals``.
Examples
--------
Assume we have the following tab-delimited text file storing the
ordination results in ``ordination`` format::
Eigvals<tab>4
0.36<tab>0.18<tab>0.07<tab>0.08
Proportion explained<tab>4
0.46<tab>0.23<tab>0.10<tab>0.10
Species<tab>9<tab>4
Species0<tab>0.11<tab>0.28<tab>-0.20<tab>-0.00
Species1<tab>0.14<tab>0.30<tab>0.39<tab>-0.14
Species2<tab>-1.01<tab>0.09<tab>-0.19<tab>-0.10
Species3<tab>-1.03<tab>0.10<tab>0.22<tab>0.22
Species4<tab>1.05<tab>0.53<tab>-0.43<tab>0.22
Species5<tab>0.99<tab>0.57<tab>0.67<tab>-0.38
Species6<tab>0.25<tab>-0.17<tab>-0.20<tab>0.43
Species7<tab>0.14<tab>-0.85<tab>-0.01<tab>0.05
Species8<tab>0.41<tab>-0.70<tab>0.21<tab>-0.69
Site<tab>10<tab>4
Site0<tab>0.71<tab>-3.08<tab>0.21<tab>-1.24
Site1<tab>0.58<tab>-3.00<tab>-0.94<tab>2.69
Site2<tab>0.76<tab>-3.15<tab>2.13<tab>-3.11
Site3<tab>1.11<tab>1.07<tab>-1.87<tab>0.66
Site4<tab>-0.97<tab>-0.06<tab>-0.69<tab>-0.61
Site5<tab>1.04<tab>0.45<tab>-0.63<tab>0.28
Site6<tab>-0.95<tab>-0.08<tab>0.13<tab>-0.42
Site7<tab>0.94<tab>-0.10<tab>0.52<tab>-0.00
Site8<tab>-1.14<tab>0.49<tab>0.47<tab>1.17
Site9<tab>1.03<tab>1.03<tab>2.74<tab>-1.28
Biplot<tab>0<tab>0
Site constraints<tab>0<tab>0
Load the ordination results from the file:
>>> from io import StringIO
>>> from skbio import OrdinationResults
>>> or_f = StringIO(
... "Eigvals\t4\n"
... "0.36\t0.18\t0.07\t0.08\n"
... "\n"
... "Proportion explained\t4\n"
... "0.46\t0.23\t0.10\t0.10\n"
... "\n"
... "Species\t9\t4\n"
... "Species0\t0.11\t0.28\t-0.20\t-0.00\n"
... "Species1\t0.14\t0.30\t0.39\t-0.14\n"
... "Species2\t-1.01\t0.09\t-0.19\t-0.10\n"
... "Species3\t-1.03\t0.10\t0.22\t0.22\n"
... "Species4\t1.05\t0.53\t-0.43\t0.22\n"
... "Species5\t0.99\t0.57\t0.67\t-0.38\n"
... "Species6\t0.25\t-0.17\t-0.20\t0.43\n"
... "Species7\t0.14\t-0.85\t-0.01\t0.05\n"
... "Species8\t0.41\t-0.70\t0.21\t-0.69\n"
... "\n"
... "Site\t10\t4\n"
... "Site0\t0.71\t-3.08\t0.21\t-1.24\n"
... "Site1\t0.58\t-3.00\t-0.94\t2.69\n"
... "Site2\t0.76\t-3.15\t2.13\t-3.11\n"
... "Site3\t1.11\t1.07\t-1.87\t0.66\n"
... "Site4\t-0.97\t-0.06\t-0.69\t-0.61\n"
... "Site5\t1.04\t0.45\t-0.63\t0.28\n"
... "Site6\t-0.95\t-0.08\t0.13\t-0.42\n"
... "Site7\t0.94\t-0.10\t0.52\t-0.00\n"
... "Site8\t-1.14\t0.49\t0.47\t1.17\n"
... "Site9\t1.03\t1.03\t2.74\t-1.28\n"
... "\n"
... "Biplot\t0\t0\n"
... "\n"
... "Site constraints\t0\t0\n")
>>> ord_res = OrdinationResults.read(or_f)
"""
# ----------------------------------------------------------------------------
# Copyright (c) 2013--, scikit-bio development team.
#
# Distributed under the terms of the Modified BSD License.
#
# The full license is in the file COPYING.txt, distributed with this software.
# ----------------------------------------------------------------------------
import numpy as np
import pandas as pd
from skbio.stats.ordination import OrdinationResults
from skbio.io import create_format, OrdinationFormatError
ordination = create_format('ordination')
@ordination.sniffer()
def _ordination_sniffer(fh):
# Smells an ordination file if *all* of the following lines are present
# *from the beginning* of the file:
# - eigvals header (minimally parsed)
# - another line (contents ignored)
# - a whitespace-only line
# - proportion explained header (minimally parsed)
try:
_parse_header(fh, 'Eigvals', 1)
next_line = next(fh, None)
if next_line is not None:
_check_empty_line(fh)
_parse_header(fh, 'Proportion explained', 1)
return True, {}
except OrdinationFormatError:
pass
return False, {}
@ordination.reader(OrdinationResults)
def _ordination_to_ordination_results(fh):
eigvals = _parse_vector_section(fh, 'Eigvals')
if eigvals is None:
raise OrdinationFormatError("At least one eigval must be present.")
_check_empty_line(fh)
prop_expl = _parse_vector_section(fh, 'Proportion explained')
_check_length_against_eigvals(prop_expl, eigvals,
'proportion explained values')
_check_empty_line(fh)
species = _parse_array_section(fh, 'Species')
_check_length_against_eigvals(species, eigvals,
'coordinates per species')
_check_empty_line(fh)
site = _parse_array_section(fh, 'Site')
_check_length_against_eigvals(site, eigvals,
'coordinates per site')
_check_empty_line(fh)
# biplot does not have ids to parse (the other arrays do)
biplot = _parse_array_section(fh, 'Biplot', has_ids=False)
_check_empty_line(fh)
cons = _parse_array_section(fh, 'Site constraints')
if cons is not None and site is not None:
if not np.array_equal(cons.index, site.index):
raise OrdinationFormatError(
"Site constraints ids and site ids must be equal: %s != %s" %
(cons.index, site.index))
return OrdinationResults(
short_method_name='', long_method_name='', eigvals=eigvals,
features=species, samples=site, biplot_scores=biplot,
sample_constraints=cons, proportion_explained=prop_expl)
def _parse_header(fh, header_id, num_dimensions):
line = next(fh, None)
if line is None:
raise OrdinationFormatError(
"Reached end of file while looking for %s header." % header_id)
header = line.strip().split('\t')
# +1 for the header ID
if len(header) != num_dimensions + 1 or header[0] != header_id:
raise OrdinationFormatError("%s header not found." % header_id)
return header
def _check_empty_line(fh):
"""Check that the next line in `fh` is empty or whitespace-only."""
line = next(fh, None)
if line is None:
raise OrdinationFormatError(
"Reached end of file while looking for blank line separating "
"sections.")
if line.strip():
raise OrdinationFormatError("Expected an empty line.")
def _check_length_against_eigvals(data, eigvals, label):
if data is not None:
num_vals = data.shape[-1]
num_eigvals = eigvals.shape[-1]
if num_vals != num_eigvals:
raise OrdinationFormatError(
"There should be as many %s as eigvals: %d != %d" %
(label, num_vals, num_eigvals))
def _parse_vector_section(fh, header_id):
header = _parse_header(fh, header_id, 1)
# Parse how many values we are waiting for
num_vals = int(header[1])
if num_vals == 0:
# The ordination method didn't generate the vector, so set it to None
vals = None
else:
# Parse the line with the vector values
line = next(fh, None)
if line is None:
raise OrdinationFormatError(
"Reached end of file while looking for line containing values "
"for %s section." % header_id)
vals = pd.Series(np.asarray(line.strip().split('\t'),
dtype=np.float64))
if len(vals) != num_vals:
raise OrdinationFormatError(
"Expected %d values in %s section, but found %d." %
(num_vals, header_id, len(vals)))
return vals
def _parse_array_section(fh, header_id, has_ids=True):
"""Parse an array section of `fh` identified by `header_id`."""
# Parse the array header
header = _parse_header(fh, header_id, 2)
# Parse the dimensions of the array
rows = int(header[1])
cols = int(header[2])
ids = None
if rows == 0 and cols == 0:
# The ordination method didn't generate the array data for 'header', so
# set it to None
data = None
elif rows == 0 or cols == 0:
# Both dimensions should be 0 or none of them are zero
raise OrdinationFormatError("One dimension of %s is 0: %d x %d" %
(header_id, rows, cols))
else:
# Parse the data
data = np.empty((rows, cols), dtype=np.float64)
if has_ids:
ids = []
for i in range(rows):
# Parse the next row of data
line = next(fh, None)
if line is None:
raise OrdinationFormatError(
"Reached end of file while looking for row %d in %s "
"section." % (i + 1, header_id))
vals = line.strip().split('\t')
if has_ids:
ids.append(vals[0])
vals = vals[1:]
if len(vals) != cols:
raise OrdinationFormatError(
"Expected %d values, but found %d in row %d." %
(cols, len(vals), i + 1))
data[i, :] = np.asarray(vals, dtype=np.float64)
data = pd.DataFrame(data, index=ids)
return data
@ordination.writer(OrdinationResults)
def _ordination_results_to_ordination(obj, fh):
_write_vector_section(fh, 'Eigvals', obj.eigvals)
_write_vector_section(fh, 'Proportion explained', obj.proportion_explained)
_write_array_section(fh, 'Species', obj.features)
_write_array_section(fh, 'Site', obj.samples)
_write_array_section(fh, 'Biplot', obj.biplot_scores, has_ids=False)
_write_array_section(fh, 'Site constraints', obj.sample_constraints,
include_section_separator=False)
def _write_vector_section(fh, header_id, vector):
if vector is None:
shape = 0
else:
shape = vector.shape[0]
fh.write("%s\t%d\n" % (header_id, shape))
if vector is not None:
fh.write(_format_vector(vector.values))
fh.write("\n")
def _write_array_section(fh, header_id, data, has_ids=True,
include_section_separator=True):
# write section header
if data is None:
shape = (0, 0)
else:
shape = data.shape
fh.write("%s\t%d\t%d\n" % (header_id, shape[0], shape[1]))
# write section data
if data is not None:
if not has_ids:
for vals in data.values:
fh.write(_format_vector(vals))
else:
for id_, vals in zip(data.index, data.values):
fh.write(_format_vector(vals, id_))
if include_section_separator:
fh.write("\n")
def _format_vector(vector, id_=None):
formatted_vector = '\t'.join(np.asarray(vector, dtype=np.str))
if id_ is None:
return "%s\n" % formatted_vector
else:
return "%s\t%s\n" % (id_, formatted_vector)
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