"""\
Main class and helper functions.
"""
import warnings
import collections.abc as cabc
from collections import OrderedDict
from copy import copy, deepcopy
from enum import Enum
from functools import partial, singledispatch
from pathlib import Path
from os import PathLike
from textwrap import dedent
from typing import Any, Union, Optional # Meta
from typing import Iterable, Sequence, Mapping, MutableMapping # Generic ABCs
from typing import Tuple, List # Generic
import h5py
from natsort import natsorted
import numpy as np
from numpy import ma
import pandas as pd
from pandas.api.types import infer_dtype, is_string_dtype, is_categorical_dtype
from scipy import sparse
from scipy.sparse import issparse, csr_matrix
from .raw import Raw
from .index import _normalize_indices, _subset, Index, Index1D, get_vector
from .file_backing import AnnDataFileManager, to_memory
from .access import ElementRef
from .aligned_mapping import (
AxisArrays,
AxisArraysView,
PairwiseArrays,
PairwiseArraysView,
Layers,
LayersView,
)
from .views import (
ArrayView,
DictView,
DataFrameView,
as_view,
_resolve_idxs,
)
from .sparse_dataset import SparseDataset
from .. import utils
from ..utils import convert_to_dict, ensure_df_homogeneous
from ..logging import anndata_logger as logger
from ..compat import (
ZarrArray,
ZappyArray,
DaskArray,
Literal,
_slice_uns_sparse_matrices,
_move_adj_mtx,
_overloaded_uns,
OverloadedDict,
)
class StorageType(Enum):
Array = np.ndarray
Masked = ma.MaskedArray
Sparse = sparse.spmatrix
ZarrArray = ZarrArray
ZappyArray = ZappyArray
DaskArray = DaskArray
@classmethod
def classes(cls):
return tuple(c.value for c in cls.__members__.values())
# for backwards compat
def _find_corresponding_multicol_key(key, keys_multicol):
"""Find the corresponding multicolumn key."""
for mk in keys_multicol:
if key.startswith(mk) and "of" in key:
return mk
return None
# for backwards compat
def _gen_keys_from_multicol_key(key_multicol, n_keys):
"""Generates single-column keys from multicolumn key."""
keys = [f"{key_multicol}{i + 1:03}of{n_keys:03}" for i in range(n_keys)]
return keys
def _check_2d_shape(X):
"""\
Check shape of array or sparse matrix.
Assure that X is always 2D: Unlike numpy we always deal with 2D arrays.
"""
if X.dtype.names is None and len(X.shape) != 2:
raise ValueError(
f"X needs to be 2-dimensional, not {len(X.shape)}-dimensional."
)
@singledispatch
def _gen_dataframe(anno, length, index_names):
if anno is None or len(anno) == 0:
return pd.DataFrame(index=pd.RangeIndex(0, length, name=None).astype(str))
for index_name in index_names:
if index_name in anno:
return pd.DataFrame(
anno,
index=anno[index_name],
columns=[k for k in anno.keys() if k != index_name],
)
return pd.DataFrame(anno, index=pd.RangeIndex(0, length, name=None).astype(str))
@_gen_dataframe.register(pd.DataFrame)
def _(anno, length, index_names):
anno = anno.copy()
if not is_string_dtype(anno.index):
warnings.warn("Transforming to str index.", ImplicitModificationWarning)
anno.index = anno.index.astype(str)
return anno
@_gen_dataframe.register(pd.Series)
@_gen_dataframe.register(pd.Index)
def _(anno, length, index_names):
raise ValueError(f"Cannot convert {type(anno)} to DataFrame")
class ImplicitModificationWarning(UserWarning):
"""\
Raised whenever initializing an object or assigning a property changes
the type of a part of a parameter or the value being assigned.
Examples
========
>>> import pandas as pd
>>> adata = AnnData(obs=pd.DataFrame(index=[0, 1, 2])) # doctest: +SKIP
ImplicitModificationWarning: Transforming to str index.
"""
pass
[docs]class AnnData(metaclass=utils.DeprecationMixinMeta):
"""\
An annotated data matrix.
:class:`~anndata.AnnData` stores a data matrix :attr:`X` together with annotations
of observations :attr:`obs` (:attr:`obsm`, :attr:`obsp`),
variables :attr:`var` (:attr:`varm`, :attr:`varp`),
and unstructured annotations :attr:`uns`.
.. figure:: https://falexwolf.de/img/scanpy/anndata.svg
:width: 350px
An :class:`~anndata.AnnData` object `adata` can be sliced like a
:class:`~pandas.DataFrame`,
for instance `adata_subset = adata[:, list_of_variable_names]`.
:class:`~anndata.AnnData`’s basic structure is similar to R’s ExpressionSet
[Huber15]_. If setting an `.h5ad`-formatted HDF5 backing file `.filename`,
data remains on the disk but is automatically loaded into memory if needed.
See this `blog post`_ for more details.
.. _blog post: http://falexwolf.de/blog/171223_AnnData_indexing_views_HDF5-backing/
Parameters
----------
X
A #observations × #variables data matrix. A view of the data is used if the
data type matches, otherwise, a copy is made.
obs
Key-indexed one-dimensional observations annotation of length #observations.
var
Key-indexed one-dimensional variables annotation of length #variables.
uns
Key-indexed unstructured annotation.
obsm
Key-indexed multi-dimensional observations annotation of length #observations.
If passing a :class:`~numpy.ndarray`, it needs to have a structured datatype.
varm
Key-indexed multi-dimensional variables annotation of length #variables.
If passing a :class:`~numpy.ndarray`, it needs to have a structured datatype.
layers
Key-indexed multi-dimensional arrays aligned to dimensions of `X`.
dtype
Data type used for storage.
shape
Shape tuple (#observations, #variables). Can only be provided if `X` is `None`.
filename
Name of backing file. See :class:`h5py.File`.
filemode
Open mode of backing file. See :class:`h5py.File`.
See Also
--------
read_h5ad
read_csv
read_excel
read_hdf
read_loom
read_zarr
read_mtx
read_text
read_umi_tools
Notes
-----
:class:`~anndata.AnnData` stores observations (samples) of variables/features
in the rows of a matrix.
This is the convention of the modern classics of statistics [Hastie09]_
and machine learning [Murphy12]_,
the convention of dataframes both in R and Python and the established statistics
and machine learning packages in Python (statsmodels_, scikit-learn_).
Single dimensional annotations of the observation and variables are stored
in the :attr:`obs` and :attr:`var` attributes as :class:`~pandas.DataFrame`\\ s.
This is intended for metrics calculated over their axes.
Multi-dimensional annotations are stored in :attr:`obsm` and :attr:`varm`,
which are aligned to the objects observation and variable dimensions respectively.
Square matrices representing graphs are stored in :attr:`obsp` and :attr:`varp`,
with both of their own dimensions aligned to their associated axis.
Additional measurements across both observations and variables are stored in
:attr:`layers`.
Indexing into an AnnData object can be performed by relative position
with numeric indices (like pandas’ :meth:`~pandas.DataFrame.iloc`),
or by labels (like :meth:`~pandas.DataFrame.loc`).
To avoid ambiguity with numeric indexing into observations or variables,
indexes of the AnnData object are converted to strings by the constructor.
Subsetting an AnnData object by indexing into it will also subset its elements
according to the dimensions they were aligned to.
This means an operation like `adata[list_of_obs, :]` will also subset :attr:`obs`,
:attr:`obsm`, and :attr:`layers`.
Subsetting an AnnData object returns a view into the original object,
meaning very little additional memory is used upon subsetting.
This is achieved lazily, meaning that the constituent arrays are subset on access.
Copying a view causes an equivalent “real” AnnData object to be generated.
Attempting to modify a view (at any attribute except X) is handled
in a copy-on-modify manner, meaning the object is initialized in place.
Here’s an example::
batch1 = adata[adata.obs["batch"] == "batch1", :]
batch1.obs["value"] = 0 # This makes batch1 a “real” AnnData object
At the end of this snippet: `adata` was not modified,
and `batch1` is its own AnnData object with its own data.
Similar to Bioconductor’s `ExpressionSet` and :mod:`scipy.sparse` matrices,
subsetting an AnnData object retains the dimensionality of its constituent arrays.
Therefore, unlike with the classes exposed by :mod:`pandas`, :mod:`numpy`,
and `xarray`, there is no concept of a one dimensional AnnData object.
AnnDatas always have two inherent dimensions, :attr:`obs` and :attr:`var`.
Additionally, maintaining the dimensionality of the AnnData object allows for
consistent handling of :mod:`scipy.sparse` matrices and :mod:`numpy` arrays.
.. _statsmodels: http://www.statsmodels.org/stable/index.html
.. _scikit-learn: http://scikit-learn.org/
"""
_BACKED_ATTRS = ["X", "raw.X"]
# backwards compat
_H5_ALIASES = dict(
X={"X", "_X", "data", "_data"},
obs={"obs", "_obs", "smp", "_smp"},
var={"var", "_var"},
uns={"uns"},
obsm={"obsm", "_obsm", "smpm", "_smpm"},
varm={"varm", "_varm"},
layers={"layers", "_layers"},
)
_H5_ALIASES_NAMES = dict(
obs={"obs_names", "smp_names", "row_names", "index"},
var={"var_names", "col_names", "index"},
)
def __init__(
self,
X: Optional[Union[np.ndarray, sparse.spmatrix, pd.DataFrame]] = None,
obs: Optional[Union[pd.DataFrame, Mapping[str, Iterable[Any]]]] = None,
var: Optional[Union[pd.DataFrame, Mapping[str, Iterable[Any]]]] = None,
uns: Optional[Mapping[str, Any]] = None,
obsm: Optional[Union[np.ndarray, Mapping[str, Sequence[Any]]]] = None,
varm: Optional[Union[np.ndarray, Mapping[str, Sequence[Any]]]] = None,
layers: Optional[Mapping[str, Union[np.ndarray, sparse.spmatrix]]] = None,
raw: Optional[Mapping[str, Any]] = None,
dtype: Union[np.dtype, str] = "float32",
shape: Optional[Tuple[int, int]] = None,
filename: Optional[PathLike] = None,
filemode: Optional[Literal["r", "r+"]] = None,
asview: bool = False,
*,
obsp: Optional[Union[np.ndarray, Mapping[str, Sequence[Any]]]] = None,
varp: Optional[Union[np.ndarray, Mapping[str, Sequence[Any]]]] = None,
oidx: Index1D = None,
vidx: Index1D = None,
):
if asview:
if not isinstance(X, AnnData):
raise ValueError("`X` has to be an AnnData object.")
self._init_as_view(X, oidx, vidx)
else:
self._init_as_actual(
X=X,
obs=obs,
var=var,
uns=uns,
obsm=obsm,
varm=varm,
raw=raw,
layers=layers,
dtype=dtype,
shape=shape,
obsp=obsp,
varp=varp,
filename=filename,
filemode=filemode,
)
def _init_as_view(self, adata_ref: "AnnData", oidx: Index, vidx: Index):
if adata_ref.isbacked and adata_ref.is_view:
raise ValueError(
"Currently, you cannot index repeatedly into a backed AnnData, "
"that is, you cannot make a view of a view."
)
self._is_view = True
if isinstance(oidx, (int, np.integer)):
if not (-adata_ref.n_obs <= oidx < adata_ref.n_obs):
raise IndexError(f"Observation index `{oidx}` is out of range.")
oidx += adata_ref.n_obs * (oidx < 0)
oidx = slice(oidx, oidx + 1, 1)
if isinstance(vidx, (int, np.integer)):
if not (-adata_ref.n_vars <= vidx < adata_ref.n_vars):
raise IndexError(f"Variable index `{vidx}` is out of range.")
vidx += adata_ref.n_vars * (vidx < 0)
vidx = slice(vidx, vidx + 1, 1)
if adata_ref.is_view:
prev_oidx, prev_vidx = adata_ref._oidx, adata_ref._vidx
adata_ref = adata_ref._adata_ref
oidx, vidx = _resolve_idxs((prev_oidx, prev_vidx), (oidx, vidx), adata_ref)
# self._adata_ref is never a view
self._adata_ref = adata_ref
self._oidx = oidx
self._vidx = vidx
# the file is the same as of the reference object
self.file = adata_ref.file
# views on attributes of adata_ref
obs_sub = adata_ref.obs.iloc[oidx]
var_sub = adata_ref.var.iloc[vidx]
self._obsm = adata_ref.obsm._view(self, (oidx,))
self._varm = adata_ref.varm._view(self, (vidx,))
self._layers = adata_ref.layers._view(self, (oidx, vidx))
self._obsp = adata_ref.obsp._view(self, oidx)
self._varp = adata_ref.varp._view(self, vidx)
# Speical case for old neighbors, backwards compat. Remove in anndata 0.8.
uns_new = _slice_uns_sparse_matrices(
copy(adata_ref._uns), self._oidx, adata_ref.n_obs
)
# fix categories
self._remove_unused_categories(adata_ref.obs, obs_sub, uns_new)
self._remove_unused_categories(adata_ref.var, var_sub, uns_new)
# set attributes
self._obs = DataFrameView(obs_sub, view_args=(self, "obs"))
self._var = DataFrameView(var_sub, view_args=(self, "var"))
self._uns = uns_new
self._n_obs = len(self.obs)
self._n_vars = len(self.var)
# set data
if self.isbacked:
self._X = None
# set raw, easy, as it’s immutable anyways...
if adata_ref._raw is not None:
# slicing along variables axis is ignored
self._raw = adata_ref.raw[oidx]
self._raw._adata = self
else:
self._raw = None
def _init_as_actual(
self,
X=None,
obs=None,
var=None,
uns=None,
obsm=None,
varm=None,
varp=None,
obsp=None,
raw=None,
layers=None,
dtype="float32",
shape=None,
filename=None,
filemode=None,
):
# view attributes
self._is_view = False
self._adata_ref = None
self._oidx = None
self._vidx = None
# ----------------------------------------------------------------------
# various ways of initializing the data
# ----------------------------------------------------------------------
# If X is a data frame, we store its indices for verification
x_indices = []
# init from file
if filename is not None:
self.file = AnnDataFileManager(self, filename, filemode)
else:
self.file = AnnDataFileManager(self, None)
# init from AnnData
if isinstance(X, AnnData):
if any((obs, var, uns, obsm, varm, obsp, varp)):
raise ValueError(
"If `X` is a dict no further arguments must be provided."
)
X, obs, var, uns, obsm, varm, obsp, varp, layers, raw = (
X._X,
X.obs,
X.var,
X.uns,
X.obsm,
X.varm,
X.obsp,
X.varp,
X.layers,
X.raw,
)
# init from DataFrame
elif isinstance(X, pd.DataFrame):
# to verify index matching, we wait until obs and var are DataFrames
if obs is None:
obs = pd.DataFrame(index=X.index)
elif not isinstance(X.index, pd.RangeIndex):
x_indices.append(("obs", "index", X.index))
if var is None:
var = pd.DataFrame(index=X.columns)
elif not isinstance(X.columns, pd.RangeIndex):
x_indices.append(("var", "columns", X.columns))
X = ensure_df_homogeneous(X, "X")
# ----------------------------------------------------------------------
# actually process the data
# ----------------------------------------------------------------------
# check data type of X
if X is not None:
for s_type in StorageType:
if isinstance(X, s_type.value):
break
else:
class_names = ", ".join(c.__name__ for c in StorageType.classes())
raise ValueError(
f"`X` needs to be of one of {class_names}, not {type(X)}."
)
if shape is not None:
raise ValueError("`shape` needs to be `None` if `X` is not `None`.")
_check_2d_shape(X)
# if type doesn’t match, a copy is made, otherwise, use a view
if issparse(X) or isinstance(X, ma.MaskedArray):
# TODO: maybe use view on data attribute of sparse matrix
# as in readwrite.read_10x_h5
if X.dtype != np.dtype(dtype):
X = X.astype(dtype)
elif isinstance(X, ZarrArray):
X = X.astype(dtype)
else: # is np.ndarray or a subclass, convert to true np.ndarray
X = np.array(X, dtype, copy=False)
# data matrix and shape
self._X = X
self._n_obs, self._n_vars = self._X.shape
else:
self._X = None
self._n_obs = len([] if obs is None else obs)
self._n_vars = len([] if var is None else var)
# check consistency with shape
if shape is not None:
if self._n_obs == 0:
self._n_obs = shape[0]
else:
if self._n_obs != shape[0]:
raise ValueError("`shape` is inconsistent with `obs`")
if self._n_vars == 0:
self._n_vars = shape[1]
else:
if self._n_vars != shape[1]:
raise ValueError("`shape` is inconsistent with `var`")
# annotations
self._obs = _gen_dataframe(obs, self._n_obs, ["obs_names", "row_names"])
self._var = _gen_dataframe(var, self._n_vars, ["var_names", "col_names"])
# now we can verify if indices match!
for attr_name, x_name, idx in x_indices:
attr = getattr(self, attr_name)
if isinstance(attr.index, pd.RangeIndex):
attr.index = idx
elif not idx.equals(attr.index):
raise ValueError(f"Index of {attr_name} must match {x_name} of X.")
# unstructured annotations
self.uns = uns or OrderedDict()
# TODO: Think about consequences of making obsm a group in hdf
self._obsm = AxisArrays(self, 0, vals=convert_to_dict(obsm))
self._varm = AxisArrays(self, 1, vals=convert_to_dict(varm))
self._obsp = PairwiseArrays(self, 0, vals=convert_to_dict(obsp))
self._varp = PairwiseArrays(self, 1, vals=convert_to_dict(varp))
# Backwards compat for connectivities matrices in uns["neighbors"]
_move_adj_mtx({"uns": self._uns, "obsp": self._obsp})
self._check_dimensions()
self._check_uniqueness()
if self.filename:
assert not isinstance(
raw, Raw
), "got raw from other adata but also filename?"
if {"raw", "raw.X"} & set(self.file):
raw = dict(X=None, **raw)
if not raw:
self._raw = None
elif isinstance(raw, cabc.Mapping):
self._raw = Raw(self, **raw)
else: # is a Raw from another AnnData
self._raw = Raw(self, raw._X, raw.var, raw.varm)
# clean up old formats
self._clean_up_old_format(uns)
# layers
self._layers = Layers(self, layers)
def __sizeof__(self, show_stratified=None) -> int:
def get_size(X):
if issparse(X):
X_csr = csr_matrix(X)
return X_csr.data.nbytes + X_csr.indptr.nbytes + X_csr.indices.nbytes
else:
return X.__sizeof__()
size = 0
attrs = list(["_X", "_obs", "_var"])
attrs_multi = list(["_uns", "_obsm", "_varm", "varp", "_obsp", "_layers"])
for attr in attrs + attrs_multi:
if attr in attrs_multi:
keys = getattr(self, attr).keys()
s = sum([get_size(getattr(self, attr)[k]) for k in keys])
else:
s = get_size(getattr(self, attr))
if s > 0 and show_stratified:
str_attr = attr.replace("_", ".") + " " * (7 - len(attr))
print(f"Size of {str_attr}: {'%3.2f' % (s / (1024 ** 2))} MB")
size += s
return size
def _gen_repr(self, n_obs, n_vars) -> str:
if self.isbacked:
backed_at = f" backed at {str(self.filename)!r}"
else:
backed_at = ""
descr = f"AnnData object with n_obs × n_vars = {n_obs} × {n_vars}{backed_at}"
for attr in [
"obs",
"var",
"uns",
"obsm",
"varm",
"layers",
"obsp",
"varp",
]:
keys = getattr(self, attr).keys()
if len(keys) > 0:
descr += f"\n {attr}: {str(list(keys))[1:-1]}"
return descr
def __repr__(self) -> str:
if self.is_view:
return "View of " + self._gen_repr(self.n_obs, self.n_vars)
else:
return self._gen_repr(self.n_obs, self.n_vars)
def __eq__(self, other):
"""Equality testing"""
raise NotImplementedError(
"Equality comparisons are not supported for AnnData objects, "
"instead compare the desired attributes."
)
@property
def shape(self) -> Tuple[int, int]:
"""Shape of data matrix (:attr:`n_obs`, :attr:`n_vars`)."""
return self.n_obs, self.n_vars
@property
def X(self) -> Optional[Union[np.ndarray, sparse.spmatrix, ArrayView]]:
"""Data matrix of shape :attr:`n_obs` × :attr:`n_vars`."""
if self.isbacked:
if not self.file.is_open:
self.file.open()
X = self.file["X"]
if isinstance(X, h5py.Group):
X = SparseDataset(X)
# This is so that we can index into a backed dense dataset with
# indices that aren’t strictly increasing
if self.is_view:
X = _subset(X, (self._oidx, self._vidx))
elif self.is_view:
X = as_view(
_subset(self._adata_ref.X, (self._oidx, self._vidx)),
ElementRef(self, "X"),
)
else:
X = self._X
return X
# if self.n_obs == 1 and self.n_vars == 1:
# return X[0, 0]
# elif self.n_obs == 1 or self.n_vars == 1:
# if issparse(X): X = X.toarray()
# return X.flatten()
# else:
# return X
@X.setter
def X(self, value: Optional[Union[np.ndarray, sparse.spmatrix]]):
if value is None:
if self.isbacked:
raise NotImplementedError(
"Cannot currently remove data matrix from backed object."
)
if self.is_view:
self._init_as_actual(self.copy())
self._X = None
return
if not isinstance(value, StorageType.classes()) and not np.isscalar(value):
if hasattr(value, "to_numpy") and hasattr(value, "dtypes"):
value = ensure_df_homogeneous(value, "X")
else: # TODO: asarray? asanyarray?
value = np.array(value)
# If indices are both arrays, we need to modify them
# so we don’t set values like coordinates
# This can occur if there are succesive views
if (
self.is_view
and isinstance(self._oidx, np.ndarray)
and isinstance(self._vidx, np.ndarray)
):
oidx, vidx = np.ix_(self._oidx, self._vidx)
else:
oidx, vidx = self._oidx, self._vidx
if (
np.isscalar(value)
or (hasattr(value, "shape") and (self.shape == value.shape))
or (self.n_vars == 1 and self.n_obs == len(value))
or (self.n_obs == 1 and self.n_vars == len(value))
):
if not np.isscalar(value) and self.shape != value.shape:
# For assigning vector of values to 2d array or matrix
# Not neccesary for row of 2d array
value = value.reshape(self.shape)
if self.isbacked:
if self.is_view:
X = self.file["X"]
if isinstance(X, h5py.Group):
X = SparseDataset(X)
X[oidx, vidx] = value
else:
self._set_backed("X", value)
else:
if self.is_view:
if sparse.issparse(self._adata_ref._X) and isinstance(
value, np.ndarray
):
value = sparse.coo_matrix(value)
self._adata_ref._X[oidx, vidx] = value
else:
self._X = value
else:
raise ValueError(
f"Data matrix has wrong shape {value.shape}, "
f"need to be {self.shape}."
)
@X.deleter
def X(self):
self.X = None
@property
def layers(self) -> Union[Layers, LayersView]:
"""\
Dictionary-like object with values of the same dimensions as :attr:`X`.
Layers in AnnData are inspired by loompy’s :ref:`loomlayers`.
Return the layer named `"unspliced"`::
adata.layers["unspliced"]
Create or replace the `"spliced"` layer::
adata.layers["spliced"] = ...
Assign the 10th column of layer `"spliced"` to the variable a::
a = adata.layers["spliced"][:, 10]
Delete the `"spliced"` layer::
del adata.layers["spliced"]
Return layers’ names::
adata.layers.keys()
"""
return self._layers
@layers.setter
def layers(self, value):
layers = Layers(self, vals=convert_to_dict(value))
if self.is_view:
self._init_as_actual(self.copy())
self._layers = layers
@layers.deleter
def layers(self):
self.layers = dict()
@property
def raw(self) -> Raw:
"""\
Store raw version of :attr:`X` and :attr:`var` as `.raw.X` and `.raw.var`.
The :attr:`raw` attribute is initialized with the current content
of an object by setting::
adata.raw = adata
Its content can be deleted::
adata.raw = None
# or
del adata.raw
Upon slicing an AnnData object along the obs (row) axis, :attr:`raw`
is also sliced. Slicing an AnnData object along the vars (columns) axis
leaves :attr:`raw` unaffected. Note that you can call::
adata.raw[:, 'orig_variable_name'].X
to retrieve the data associated with a variable that might have been
filtered out or "compressed away" in :attr:`X`.
"""
return self._raw
@raw.setter
def raw(self, value: "AnnData"):
if value is None:
del self.raw
elif not isinstance(value, AnnData):
raise ValueError("Can only init raw attribute with an AnnData object.")
else:
if self.is_view:
self._init_as_actual(self.copy())
self._raw = Raw(value)
@raw.deleter
def raw(self):
if self.is_view:
self._init_as_actual(self.copy())
self._raw = None
@property
def n_obs(self) -> int:
"""Number of observations."""
return self._n_obs
@property
def n_vars(self) -> int:
"""Number of variables/features."""
return self._n_vars
def _set_dim_df(self, value: pd.DataFrame, attr: str):
if not isinstance(value, pd.DataFrame):
raise ValueError(f"Can only assign pd.DataFrame to {attr}.")
value_idx = self._prep_dim_index(value.index, attr)
if self.is_view:
self._init_as_actual(self.copy())
setattr(self, f"_{attr}", value)
self._set_dim_index(value_idx, attr)
def _prep_dim_index(self, value, attr: str) -> pd.Index:
"""Prepares index to be uses as obs_names or var_names for AnnData object.AssertionError
If a pd.Index is passed, this will use a reference, otherwise a new index object is created.
"""
if self.shape[attr == "var"] != len(value):
raise ValueError(
f"Length of passed value for {attr}_names is {len(value)}, but this AnnData has shape: {self.shape}"
)
if isinstance(value, pd.Index) and not isinstance(
value.name, (str, type(None))
):
raise ValueError(
f"AnnData expects .{attr}.index.name to be a string or None, "
f"but you passed a name of type {type(value.name).__name__!r}"
)
else:
value = pd.Index(value)
if not isinstance(value.name, (str, type(None))):
value.name = None
# fmt: off
if (
not isinstance(value, pd.RangeIndex)
and not infer_dtype(value) in ("string", "bytes")
):
sample = list(value[: min(len(value), 5)])
warnings.warn(dedent(
f"""
AnnData expects .{attr}.index to contain strings, but got values like:
{sample}
Inferred to be: {infer_dtype(value)}
"""
), # noqa
stacklevel=2,
)
# fmt: on
return value
def _set_dim_index(self, value: pd.Index, attr: str):
# Assumes _prep_dim_index has been run
if self.is_view:
self._init_as_actual(self.copy())
getattr(self, attr).index = value
for v in getattr(self, f"{attr}m").values():
if isinstance(v, pd.DataFrame):
v.index = value
@property
def obs(self) -> pd.DataFrame:
"""One-dimensional annotation of observations (`pd.DataFrame`)."""
return self._obs
@obs.setter
def obs(self, value: pd.DataFrame):
self._set_dim_df(value, "obs")
@obs.deleter
def obs(self):
self.obs = pd.DataFrame(index=self.obs_names)
@property
def obs_names(self) -> pd.Index:
"""Names of observations (alias for `.obs.index`)."""
return self.obs.index
@obs_names.setter
def obs_names(self, names: Sequence[str]):
names = self._prep_dim_index(names, "obs")
self._set_dim_index(names, "obs")
@property
def var(self) -> pd.DataFrame:
"""One-dimensional annotation of variables/ features (`pd.DataFrame`)."""
return self._var
@var.setter
def var(self, value: pd.DataFrame):
self._set_dim_df(value, "var")
@var.deleter
def var(self):
self.var = pd.DataFrame(index=self.var_names)
@property
def var_names(self) -> pd.Index:
"""Names of variables (alias for `.var.index`)."""
return self.var.index
@var_names.setter
def var_names(self, names: Sequence[str]):
names = self._prep_dim_index(names, "var")
self._set_dim_index(names, "var")
@property
def uns(self) -> MutableMapping:
"""Unstructured annotation (ordered dictionary)."""
uns = self._uns
if self.is_view:
uns = DictView(uns, view_args=(self, "_uns"))
uns = _overloaded_uns(self, uns)
return uns
@uns.setter
def uns(self, value: MutableMapping):
if not isinstance(value, MutableMapping):
raise ValueError(
"Only mutable mapping types (e.g. dict) are allowed for `.uns`."
)
if isinstance(value, (OverloadedDict, DictView)):
value = value.copy()
if self.is_view:
self._init_as_actual(self.copy())
self._uns = value
@uns.deleter
def uns(self):
self.uns = OrderedDict()
@property
def obsm(self) -> Union[AxisArrays, AxisArraysView]:
"""\
Multi-dimensional annotation of observations
(mutable structured :class:`~numpy.ndarray`).
Stores for each key a two or higher-dimensional :class:`~numpy.ndarray`
of length `n_obs`.
Is sliced with `data` and `obs` but behaves otherwise like a :term:`mapping`.
"""
return self._obsm
@obsm.setter
def obsm(self, value):
obsm = AxisArrays(self, 0, vals=convert_to_dict(value))
if self.is_view:
self._init_as_actual(self.copy())
self._obsm = obsm
@obsm.deleter
def obsm(self):
self.obsm = dict()
@property
def varm(self) -> Union[AxisArrays, AxisArraysView]:
"""\
Multi-dimensional annotation of variables/features
(mutable structured :class:`~numpy.ndarray`).
Stores for each key a two or higher-dimensional :class:`~numpy.ndarray`
of length `n_vars`.
Is sliced with `data` and `var` but behaves otherwise like a :term:`mapping`.
"""
return self._varm
@varm.setter
def varm(self, value):
varm = AxisArrays(self, 1, vals=convert_to_dict(value))
if self.is_view:
self._init_as_actual(self.copy())
self._varm = varm
@varm.deleter
def varm(self):
self.varm = dict()
@property
def obsp(self) -> Union[PairwiseArrays, PairwiseArraysView]:
"""\
Pairwise annotation of observations,
a mutable mapping with array-like values.
Stores for each key a two or higher-dimensional :class:`~numpy.ndarray`
whose first two dimensions are of length `n_obs`.
Is sliced with `data` and `obs` but behaves otherwise like a :term:`mapping`.
"""
return self._obsp
@obsp.setter
def obsp(self, value):
obsp = PairwiseArrays(self, 0, vals=convert_to_dict(value))
if self.is_view:
self._init_as_actual(self.copy())
self._obsp = obsp
@obsp.deleter
def obsp(self):
self.obsp = dict()
@property
def varp(self) -> Union[PairwiseArrays, PairwiseArraysView]:
"""\
Pairwise annotation of observations,
a mutable mapping with array-like values.
Stores for each key a two or higher-dimensional :class:`~numpy.ndarray`
whose first two dimensions are of length `n_var`.
Is sliced with `data` and `var` but behaves otherwise like a :term:`mapping`.
"""
return self._varp
@varp.setter
def varp(self, value):
varp = PairwiseArrays(self, 1, vals=convert_to_dict(value))
if self.is_view:
self._init_as_actual(self.copy())
self._varp = varp
@varp.deleter
def varp(self):
self.varp = dict()
[docs] def obs_keys(self) -> List[str]:
"""List keys of observation annotation :attr:`obs`."""
return self._obs.keys().tolist()
[docs] def var_keys(self) -> List[str]:
"""List keys of variable annotation :attr:`var`."""
return self._var.keys().tolist()
[docs] def obsm_keys(self) -> List[str]:
"""List keys of observation annotation :attr:`obsm`."""
return list(self._obsm.keys())
[docs] def varm_keys(self) -> List[str]:
"""List keys of variable annotation :attr:`varm`."""
return list(self._varm.keys())
[docs] def uns_keys(self) -> List[str]:
"""List keys of unstructured annotation."""
return sorted(list(self._uns.keys()))
@property
def isbacked(self) -> bool:
"""`True` if object is backed on disk, `False` otherwise."""
return self.filename is not None
@property
def is_view(self) -> bool:
"""`True` if object is view of another AnnData object, `False` otherwise."""
return self._is_view
@property
def filename(self) -> Optional[Path]:
"""\
Change to backing mode by setting the filename of a `.h5ad` file.
- Setting the filename writes the stored data to disk.
- Setting the filename when the filename was previously another name
moves the backing file from the previous file to the new file.
If you want to copy the previous file, use `copy(filename='new_filename')`.
"""
return self.file.filename
@filename.setter
def filename(self, filename: Optional[PathLike]):
# convert early for later comparison
filename = None if filename is None else Path(filename)
# change from backing-mode back to full loading into memory
if filename is None:
if self.filename is not None:
self.file._to_memory_mode()
else:
# both filename and self.filename are None
# do nothing
return
else:
if self.filename is not None:
if self.filename != filename:
# write the content of self to the old file
# and close the file
self.write()
self.filename.rename(filename)
else:
# do nothing
return
else:
# change from memory to backing-mode
# write the content of self to disk
self.write(filename, force_dense=True)
# open new file for accessing
self.file.open(filename, "r+")
# as the data is stored on disk, we can safely set self._X to None
self._X = None
def _set_backed(self, attr, value):
from .._io.utils import write_attribute
write_attribute(self.file._file, attr, value)
def _normalize_indices(self, index: Optional[Index]) -> Tuple[slice, slice]:
return _normalize_indices(index, self.obs_names, self.var_names)
# TODO: this is not quite complete...
def __delitem__(self, index: Index):
obs, var = self._normalize_indices(index)
# TODO: does this really work?
if not self.isbacked:
del self._X[obs, var]
else:
X = self.file["X"]
del X[obs, var]
self._set_backed("X", X)
if var == slice(None):
del self._obs.iloc[obs, :]
if obs == slice(None):
del self._var.iloc[var, :]
def __getitem__(self, index: Index) -> "AnnData":
"""Returns a sliced view of the object."""
oidx, vidx = self._normalize_indices(index)
return AnnData(self, oidx=oidx, vidx=vidx, asview=True)
def _remove_unused_categories(self, df_full, df_sub, uns):
for k in df_full:
if not is_categorical_dtype(df_full[k]):
continue
all_categories = df_full[k].cat.categories
with pd.option_context("mode.chained_assignment", None):
df_sub[k] = df_sub[k].cat.remove_unused_categories()
# also correct the colors...
color_key = f"{k}_colors"
if color_key not in uns:
continue
color_vec = uns[color_key]
if np.array(color_vec).ndim == 0:
# Make 0D arrays into 1D ones
uns[color_key] = np.array(color_vec)[(None,)]
elif len(color_vec) != len(all_categories):
# Reset colors
del uns[color_key]
else:
idx = np.where(np.in1d(all_categories, df_sub[k].cat.categories))[0]
uns[color_key] = np.array(color_vec)[(idx,)]
[docs] def rename_categories(self, key: str, categories: Sequence[Any]):
"""\
Rename categories of annotation `key` in :attr:`obs`, :attr:`var`,
and :attr:`uns`.
Only supports passing a list/array-like `categories` argument.
Besides calling `self.obs[key].cat.categories = categories` –
similar for :attr:`var` - this also renames categories in unstructured
annotation that uses the categorical annotation `key`.
Parameters
----------
key
Key for observations or variables annotation.
categories
New categories, the same number as the old categories.
"""
if isinstance(categories, Mapping):
raise ValueError("Only list-like `categories` is supported.")
if key in self.obs:
old_categories = self.obs[key].cat.categories.tolist()
self.obs[key].cat.rename_categories(categories, inplace=True)
elif key in self.var:
old_categories = self.var[key].cat.categories.tolist()
self.var[key].cat.rename_categories(categories, inplace=True)
else:
raise ValueError(f"{key} is neither in `.obs` nor in `.var`.")
# this is not a good solution
# but depends on the scanpy conventions for storing the categorical key
# as `groupby` in the `params` slot
for k1, v1 in self.uns.items():
if not (
isinstance(v1, Mapping)
and "params" in v1
and "groupby" in v1["params"]
and v1["params"]["groupby"] == key
):
continue
for k2, v2 in v1.items():
# picks out the recarrays that are named according to the old
# categories
if isinstance(v2, np.ndarray) and v2.dtype.names is not None:
if list(v2.dtype.names) == old_categories:
self.uns[k1][k2].dtype.names = categories
else:
logger.warning(
f"Omitting {k1}/{k2} as old categories do not match."
)
[docs] def strings_to_categoricals(self, df: Optional[pd.DataFrame] = None):
"""\
Transform string annotations to categoricals.
Only affects string annotations that lead to less categories than the
total number of observations.
Params
------
df
If `df` is `None`, modifies both :attr:`obs` and :attr:`var`,
otherwise modifies `df` inplace.
Notes
-----
Turns the view of an :class:`~anndata.AnnData` into an actual
:class:`~anndata.AnnData`.
"""
dont_modify = False # only necessary for backed views
if df is None:
dfs = [self.obs, self.var]
if self.is_view and self.isbacked:
dont_modify = True
else:
dfs = [df]
for df in dfs:
string_cols = [
key for key in df.columns if infer_dtype(df[key]) == "string"
]
for key in string_cols:
c = pd.Categorical(df[key])
# TODO: We should only check if non-null values are unique, but
# this would break cases where string columns with nulls could
# be written as categorical, but not as string.
# Possible solution: https://github.com/theislab/anndata/issues/504
if len(c.categories) >= len(c):
continue
c.reorder_categories(natsorted(c.categories), inplace=True)
if dont_modify:
raise RuntimeError(
"Please call `.strings_to_categoricals()` on full "
"AnnData, not on this view. You might encounter this"
"error message while copying or writing to disk."
)
if self.is_view:
warnings.warn(
"Initializing view as actual.", ImplicitModificationWarning
)
# If `self` is a view, it will be actualized in the next line,
# therefore the previous warning
df[key] = c
logger.info(f"... storing {key!r} as categorical")
_sanitize = strings_to_categoricals # backwards compat
def _inplace_subset_var(self, index: Index1D):
"""\
Inplace subsetting along variables dimension.
Same as `adata = adata[:, index]`, but inplace.
"""
adata_subset = self[:, index].copy()
self._init_as_actual(adata_subset, dtype=self._X.dtype)
def _inplace_subset_obs(self, index: Index1D):
"""\
Inplace subsetting along variables dimension.
Same as `adata = adata[index, :]`, but inplace.
"""
adata_subset = self[index].copy()
self._init_as_actual(adata_subset, dtype=self.X.dtype)
# TODO: Update, possibly remove
def __setitem__(
self, index: Index, val: Union[int, float, np.ndarray, sparse.spmatrix]
):
if self.is_view:
raise ValueError("Object is view and cannot be accessed with `[]`.")
obs, var = self._normalize_indices(index)
if not self.isbacked:
self._X[obs, var] = val
else:
X = self.file["X"]
X[obs, var] = val
self._set_backed("X", X)
def __len__(self) -> int:
return self.shape[0]
[docs] def transpose(self) -> "AnnData":
"""\
Transpose whole object.
Data matrix is transposed, observations and variables are interchanged.
Ignores `.raw`.
"""
if not self.isbacked:
X = self.X
else:
X = self.file["X"]
if self.is_view:
raise ValueError(
"You’re trying to transpose a view of an `AnnData`, "
"which is currently not implemented. Call `.copy()` before transposing."
)
def t_csr(m: sparse.spmatrix) -> sparse.csr_matrix:
return m.T.tocsr() if sparse.isspmatrix_csr(m) else m.T
return AnnData(
X=t_csr(X) if X is not None else None,
obs=self.var,
var=self.obs,
# we're taking a private attributes here to be able to modify uns of the original object
uns=self._uns,
obsm=self.varm.flipped(),
varm=self.obsm.flipped(),
obsp=self.varp.copy(),
varp=self.obsp.copy(),
filename=self.filename,
layers={k: t_csr(v) for k, v in self.layers.items()},
dtype=self.X.dtype.name if X is not None else "float32",
)
T = property(transpose)
[docs] def to_df(self, layer=None) -> pd.DataFrame:
"""\
Generate shallow :class:`~pandas.DataFrame`.
The data matrix :attr:`X` is returned as
:class:`~pandas.DataFrame`, where :attr:`obs_names` initializes the
index, and :attr:`var_names` the columns.
* No annotations are maintained in the returned object.
* The data matrix is densified in case it is sparse.
Params
------
layer : str
Key for `.layers`.
"""
if layer is not None:
X = self.layers[layer]
else:
X = self.X
if issparse(X):
X = X.toarray()
return pd.DataFrame(X, index=self.obs_names, columns=self.var_names)
def _get_X(self, use_raw=False, layer=None):
"""\
Convenience method for getting expression values
with common arguments and error handling.
"""
is_layer = layer is not None
if use_raw and is_layer:
raise ValueError(
"Cannot use expression from both layer and raw. You provided:"
f"`use_raw={use_raw}` and `layer={layer}`"
)
if is_layer:
return self.layers[layer]
elif use_raw:
if self.raw is None:
raise ValueError("This AnnData doesn’t have a value in `.raw`.")
return self.raw.X
else:
return self.X
[docs] def obs_vector(self, k: str, *, layer: Optional[str] = None) -> np.ndarray:
"""\
Convenience function for returning a 1 dimensional ndarray of values
from :attr:`X`, :attr:`layers`\\ `[k]`, or :attr:`obs`.
Made for convenience, not performance.
Intentionally permissive about arguments, for easy iterative use.
Params
------
k
Key to use. Should be in :attr:`var_names` or :attr:`obs`\\ `.columns`.
layer
What layer values should be returned from. If `None`, :attr:`X` is used.
Returns
-------
A one dimensional nd array, with values for each obs in the same order
as :attr:`obs_names`.
"""
if layer == "X":
if "X" in self.layers:
pass
else:
warnings.warn(
"In a future version of AnnData, access to `.X` by passing"
" `layer='X'` will be removed. Instead pass `layer=None`.",
FutureWarning,
)
layer = None
return get_vector(self, k, "obs", "var", layer=layer)
[docs] def var_vector(self, k, *, layer: Optional[str] = None) -> np.ndarray:
"""\
Convenience function for returning a 1 dimensional ndarray of values
from :attr:`X`, :attr:`layers`\\ `[k]`, or :attr:`obs`.
Made for convenience, not performance. Intentionally permissive about
arguments, for easy iterative use.
Params
------
k
Key to use. Should be in :attr:`obs_names` or :attr:`var`\\ `.columns`.
layer
What layer values should be returned from. If `None`, :attr:`X` is used.
Returns
-------
A one dimensional nd array, with values for each var in the same order
as :attr:`var_names`.
"""
if layer == "X":
if "X" in self.layers:
pass
else:
warnings.warn(
"In a future version of AnnData, access to `.X` by passing "
"`layer='X'` will be removed. Instead pass `layer=None`.",
FutureWarning,
)
layer = None
return get_vector(self, k, "var", "obs", layer=layer)
@utils.deprecated("obs_vector")
def _get_obs_array(self, k, use_raw=False, layer=None):
"""\
Get an array from the layer (default layer='X') along the :attr:`obs`
dimension by first looking up `obs.keys` and then :attr:`obs_names`.
"""
if not use_raw or k in self.obs.columns:
return self.obs_vector(k=k, layer=layer)
else:
return self.raw.obs_vector(k)
@utils.deprecated("var_vector")
def _get_var_array(self, k, use_raw=False, layer=None):
"""\
Get an array from the layer (default layer='X') along the :attr:`var`
dimension by first looking up `var.keys` and then :attr:`var_names`.
"""
if not use_raw or k in self.var.columns:
return self.var_vector(k=k, layer=layer)
else:
return self.raw.var_vector(k)
def _mutated_copy(self, **kwargs):
"""Creating AnnData with attributes optionally specified via kwargs."""
if self.isbacked:
if "X" not in kwargs or (self.raw is not None and "raw" not in kwargs):
raise NotImplementedError(
"This function does not currently handle backed objects "
"internally, this should be dealt with before."
)
new = {}
for key in ["obs", "var", "obsm", "varm", "obsp", "varp", "layers"]:
if key in kwargs:
new[key] = kwargs[key]
else:
new[key] = getattr(self, key).copy()
if "X" in kwargs:
new["X"] = kwargs["X"]
else:
new["X"] = self.X.copy()
if "uns" in kwargs:
new["uns"] = kwargs["uns"]
else:
new["uns"] = deepcopy(self._uns)
if "raw" in kwargs:
new["raw"] = kwargs["raw"]
elif self.raw is not None:
new["raw"] = self.raw.copy()
new["dtype"] = new["X"].dtype
return AnnData(**new)
[docs] def to_memory(self) -> "AnnData":
"""Load backed AnnData object into memory.
Example
-------
.. code:: python
import anndata
backed = anndata.read_h5ad("file.h5ad", backed="r")
mem = backed[backed.obs["cluster"] == "a", :].to_memory()
"""
if not self.isbacked:
raise ValueError("Object is already in memory.")
else:
elems = {"X": to_memory(self.X)}
if self.raw is not None:
elems["raw"] = {
"X": to_memory(self.raw.X),
"var": self.raw.var,
"varm": self.raw.varm,
}
adata = self._mutated_copy(**elems)
self.file.close()
return adata
[docs] def copy(self, filename: Optional[PathLike] = None) -> "AnnData":
"""Full copy, optionally on disk."""
if not self.isbacked:
if self.is_view:
# TODO: How do I unambiguously check if this is a copy?
# Subsetting this way means we don’t have to have a view type
# defined for the matrix, which is needed for some of the
# current distributed backend.
X = _subset(self._adata_ref.X, (self._oidx, self._vidx)).copy()
else:
X = self.X.copy()
return self._mutated_copy(X=X)
else:
from .._io import read_h5ad
from .._io.write import _write_h5ad
if filename is None:
raise ValueError(
"To copy an AnnData object in backed mode, "
"pass a filename: `.copy(filename='myfilename.h5ad')`. "
"To load the object into memory, use `.to_memory()`."
)
mode = self.file._filemode
_write_h5ad(filename, self)
return read_h5ad(filename, backed=mode)
[docs] def concatenate(
self,
*adatas: "AnnData",
join: str = "inner",
batch_key: str = "batch",
batch_categories: Sequence[Any] = None,
uns_merge: Optional[str] = None,
index_unique: Optional[str] = "-",
fill_value=None,
) -> "AnnData":
"""\
Concatenate along the observations axis.
The :attr:`uns`, :attr:`varm` and :attr:`obsm` attributes are ignored.
Currently, this works only in `'memory'` mode.
.. note::
For more flexible and efficient concatenation, see: :func:`~anndata.concat`.
Parameters
----------
adatas
AnnData matrices to concatenate with. Each matrix is referred to as
a “batch”.
join
Use intersection (`'inner'`) or union (`'outer'`) of variables.
batch_key
Add the batch annotation to :attr:`obs` using this key.
batch_categories
Use these as categories for the batch annotation. By default, use increasing numbers.
uns_merge
Strategy to use for merging entries of uns. These strategies are applied recusivley.
Currently implemented strategies include:
* `None`: The default. The concatenated object will just have an empty dict for `uns`.
* `"same"`: Only entries which have the same value in all AnnData objects are kept.
* `"unique"`: Only entries which have one unique value in all AnnData objects are kept.
* `"first"`: The first non-missing value is used.
* `"only"`: A value is included if only one of the AnnData objects has a value at this
path.
index_unique
Make the index unique by joining the existing index names with the
batch category, using `index_unique='-'`, for instance. Provide
`None` to keep existing indices.
fill_value
Scalar value to fill newly missing values in arrays with. Note: only applies to arrays
and sparse matrices (not dataframes) and will only be used if `join="outer"`.
.. note::
If not provided, the default value is `0` for sparse matrices and `np.nan`
for numpy arrays. See the examples below for more information.
Returns
-------
:class:`~anndata.AnnData`
The concatenated :class:`~anndata.AnnData`, where `adata.obs[batch_key]`
stores a categorical variable labeling the batch.
Notes
-----
.. warning::
If you use `join='outer'` this fills 0s for sparse data when
variables are absent in a batch. Use this with care. Dense data is
filled with `NaN`. See the examples.
Examples
--------
Joining on intersection of variables.
>>> adata1 = AnnData(
... np.array([[1, 2, 3], [4, 5, 6]]),
... dict(obs_names=['s1', 's2'], anno1=['c1', 'c2']),
... dict(var_names=['a', 'b', 'c'], annoA=[0, 1, 2]),
... )
>>> adata2 = AnnData(
... np.array([[1, 2, 3], [4, 5, 6]]),
... dict(obs_names=['s3', 's4'], anno1=['c3', 'c4']),
... dict(var_names=['d', 'c', 'b'], annoA=[0, 1, 2]),
... )
>>> adata3 = AnnData(
... np.array([[1, 2, 3], [4, 5, 6]]),
... dict(obs_names=['s1', 's2'], anno2=['d3', 'd4']),
... dict(var_names=['d', 'c', 'b'], annoA=[0, 2, 3], annoB=[0, 1, 2]),
... )
>>> adata = adata1.concatenate(adata2, adata3)
>>> adata
AnnData object with n_obs × n_vars = 6 × 2
obs: 'anno1', 'anno2', 'batch'
var: 'annoA-0', 'annoA-1', 'annoA-2', 'annoB-2'
>>> adata.X
array([[2., 3.],
[5., 6.],
[3., 2.],
[6., 5.],
[3., 2.],
[6., 5.]], dtype=float32)
>>> adata.obs
anno1 anno2 batch
s1-0 c1 NaN 0
s2-0 c2 NaN 0
s3-1 c3 NaN 1
s4-1 c4 NaN 1
s1-2 NaN d3 2
s2-2 NaN d4 2
>>> adata.var.T
b c
annoA-0 1 2
annoA-1 2 1
annoA-2 3 2
annoB-2 2 1
Joining on the union of variables.
>>> outer = adata1.concatenate(adata2, adata3, join='outer')
>>> outer
AnnData object with n_obs × n_vars = 6 × 4
obs: 'anno1', 'anno2', 'batch'
var: 'annoA-0', 'annoA-1', 'annoA-2', 'annoB-2'
>>> outer.var.T
a b c d
annoA-0 0.0 1.0 2.0 NaN
annoA-1 NaN 2.0 1.0 0.0
annoA-2 NaN 3.0 2.0 0.0
annoB-2 NaN 2.0 1.0 0.0
>>> outer.var_names
Index(['a', 'b', 'c', 'd'], dtype='object')
>>> outer.X
array([[ 1., 2., 3., nan],
[ 4., 5., 6., nan],
[nan, 3., 2., 1.],
[nan, 6., 5., 4.],
[nan, 3., 2., 1.],
[nan, 6., 5., 4.]], dtype=float32)
>>> outer.X.sum(axis=0)
array([nan, 25., 23., nan], dtype=float32)
>>> import pandas as pd
>>> Xdf = pd.DataFrame(outer.X, columns=outer.var_names)
>>> Xdf
a b c d
0 1.0 2.0 3.0 NaN
1 4.0 5.0 6.0 NaN
2 NaN 3.0 2.0 1.0
3 NaN 6.0 5.0 4.0
4 NaN 3.0 2.0 1.0
5 NaN 6.0 5.0 4.0
>>> Xdf.sum()
a 5.0
b 25.0
c 23.0
d 10.0
dtype: float32
One way to deal with missing values is to use masked arrays:
>>> from numpy import ma
>>> outer.X = ma.masked_invalid(outer.X)
>>> outer.X
masked_array(
data=[[1.0, 2.0, 3.0, --],
[4.0, 5.0, 6.0, --],
[--, 3.0, 2.0, 1.0],
[--, 6.0, 5.0, 4.0],
[--, 3.0, 2.0, 1.0],
[--, 6.0, 5.0, 4.0]],
mask=[[False, False, False, True],
[False, False, False, True],
[ True, False, False, False],
[ True, False, False, False],
[ True, False, False, False],
[ True, False, False, False]],
fill_value=1e+20,
dtype=float32)
>>> outer.X.sum(axis=0).data
array([ 5., 25., 23., 10.], dtype=float32)
The masked array is not saved but has to be reinstantiated after saving.
>>> outer.write('./test.h5ad')
>>> from anndata import read_h5ad
>>> outer = read_h5ad('./test.h5ad')
>>> outer.X
array([[ 1., 2., 3., nan],
[ 4., 5., 6., nan],
[nan, 3., 2., 1.],
[nan, 6., 5., 4.],
[nan, 3., 2., 1.],
[nan, 6., 5., 4.]], dtype=float32)
For sparse data, everything behaves similarly,
except that for `join='outer'`, zeros are added.
>>> from scipy.sparse import csr_matrix
>>> adata1 = AnnData(
... csr_matrix([[0, 2, 3], [0, 5, 6]]),
... dict(obs_names=['s1', 's2'], anno1=['c1', 'c2']),
... dict(var_names=['a', 'b', 'c']),
... )
>>> adata2 = AnnData(
... csr_matrix([[0, 2, 3], [0, 5, 6]]),
... dict(obs_names=['s3', 's4'], anno1=['c3', 'c4']),
... dict(var_names=['d', 'c', 'b']),
... )
>>> adata3 = AnnData(
... csr_matrix([[1, 2, 0], [0, 5, 6]]),
... dict(obs_names=['s5', 's6'], anno2=['d3', 'd4']),
... dict(var_names=['d', 'c', 'b']),
... )
>>> adata = adata1.concatenate(adata2, adata3, join='outer')
>>> adata.var_names
Index(['a', 'b', 'c', 'd'], dtype='object')
>>> adata.X.toarray()
array([[0., 2., 3., 0.],
[0., 5., 6., 0.],
[0., 3., 2., 0.],
[0., 6., 5., 0.],
[0., 0., 2., 1.],
[0., 6., 5., 0.]], dtype=float32)
"""
from .merge import concat, merge_outer, merge_dataframes, merge_same
if self.isbacked:
raise ValueError("Currently, concatenate does only work in memory mode.")
if len(adatas) == 0:
return self.copy()
elif len(adatas) == 1 and not isinstance(adatas[0], AnnData):
adatas = adatas[0] # backwards compatibility
all_adatas = (self,) + tuple(adatas)
out = concat(
all_adatas,
axis=0,
join=join,
label=batch_key,
keys=batch_categories,
uns_merge=uns_merge,
fill_value=fill_value,
index_unique=index_unique,
pairwise=False,
)
# Backwards compat (some of this could be more efficient)
# obs used to always be an outer join
out.obs = concat(
[AnnData(sparse.csr_matrix(a.shape), obs=a.obs) for a in all_adatas],
axis=0,
join="outer",
label=batch_key,
keys=batch_categories,
index_unique=index_unique,
).obs
# Removing varm
del out.varm
# Implementing old-style merging of var
if batch_categories is None:
batch_categories = np.arange(len(all_adatas)).astype(str)
pat = rf"-({'|'.join(batch_categories)})$"
out.var = merge_dataframes(
[a.var for a in all_adatas],
out.var_names,
partial(merge_outer, batch_keys=batch_categories, merge=merge_same),
)
out.var = out.var.iloc[
:,
(
out.var.columns.str.extract(pat, expand=False)
.fillna("")
.argsort(kind="stable")
),
]
return out
[docs] def var_names_make_unique(self, join: str = "-"):
# Important to go through the setter so obsm dataframes are updated too
self.var_names = utils.make_index_unique(self.var.index, join)
var_names_make_unique.__doc__ = utils.make_index_unique.__doc__
[docs] def obs_names_make_unique(self, join: str = "-"):
# Important to go through the setter so obsm dataframes are updated too
self.obs_names = utils.make_index_unique(self.obs.index, join)
obs_names_make_unique.__doc__ = utils.make_index_unique.__doc__
def _check_uniqueness(self):
if not self.obs.index.is_unique:
utils.warn_names_duplicates("obs")
if not self.var.index.is_unique:
utils.warn_names_duplicates("var")
def __contains__(self, key: Any):
raise AttributeError(
"AnnData has no attribute __contains__, don’t check `in adata`."
)
def _check_dimensions(self, key=None):
if key is None:
key = {"obs", "var", "obsm", "varm"}
else:
key = {key}
if "obs" in key and len(self._obs) != self._n_obs:
raise ValueError(
"Observations annot. `obs` must have number of rows of `X`"
f" ({self._n_obs}), but has {self._obs.shape[0]} rows."
)
if "var" in key and len(self._var) != self._n_vars:
raise ValueError(
"Variables annot. `var` must have number of columns of `X`"
f" ({self._n_vars}), but has {self._var.shape[0]} rows."
)
if "obsm" in key:
obsm = self._obsm
if (
not all([o.shape[0] == self._n_obs for o in obsm.values()])
and len(obsm.dim_names) != self._n_obs
):
raise ValueError(
"Observations annot. `obsm` must have number of rows of `X`"
f" ({self._n_obs}), but has {len(obsm)} rows."
)
if "varm" in key:
varm = self._varm
if (
not all([v.shape[0] == self._n_vars for v in varm.values()])
and len(varm.dim_names) != self._n_vars
):
raise ValueError(
"Variables annot. `varm` must have number of columns of `X`"
f" ({self._n_vars}), but has {len(varm)} rows."
)
[docs] def write_h5ad(
self,
filename: Optional[PathLike] = None,
compression: Optional[Literal["gzip", "lzf"]] = None,
compression_opts: Union[int, Any] = None,
force_dense: Optional[bool] = None,
as_dense: Sequence[str] = (),
):
"""\
Write `.h5ad`-formatted hdf5 file.
.. note::
Setting compression to `'gzip'` can save disk space
but will slow down writing and subsequent reading.
Prior to v0.6.16, this was the default for parameter `compression`.
Generally, if you have sparse data that are stored as a dense matrix,
you can dramatically improve performance and reduce disk space
by converting to a :class:`~scipy.sparse.csr_matrix`::
from scipy.sparse import csr_matrix
adata.X = csr_matrix(adata.X)
Parameters
----------
filename
Filename of data file. Defaults to backing file.
compression
See the h5py :ref:`dataset_compression`.
compression_opts
See the h5py :ref:`dataset_compression`.
as_dense
Sparse arrays in AnnData object to write as dense. Currently only
supports `X` and `raw/X`.
force_dense
Write sparse data as a dense matrix.
Defaults to `True` if object is backed, otherwise to `False`.
"""
from .._io.write import _write_h5ad
if filename is None and not self.isbacked:
raise ValueError("Provide a filename!")
if filename is None:
filename = self.filename
_write_h5ad(
Path(filename),
self,
compression=compression,
compression_opts=compression_opts,
force_dense=force_dense,
as_dense=as_dense,
)
if self.isbacked:
self.file.filename = filename
write = write_h5ad # a shortcut and backwards compat
[docs] def write_csvs(self, dirname: PathLike, skip_data: bool = True, sep: str = ","):
"""\
Write annotation to `.csv` files.
It is not possible to recover the full :class:`~anndata.AnnData` from
these files. Use :meth:`write` for this.
Parameters
----------
dirname
Name of directory to which to export.
skip_data
Skip the data matrix :attr:`X`.
sep
Separator for the data.
"""
from .._io.write import write_csvs
write_csvs(dirname, self, skip_data=skip_data, sep=sep)
[docs] def write_loom(self, filename: PathLike, write_obsm_varm: bool = False):
"""\
Write `.loom`-formatted hdf5 file.
Parameters
----------
filename
The filename.
"""
from .._io.write import write_loom
write_loom(filename, self, write_obsm_varm=write_obsm_varm)
[docs] def write_zarr(
self,
store: Union[MutableMapping, PathLike],
chunks: Union[bool, int, Tuple[int, ...], None] = None,
):
"""\
Write a hierarchical Zarr array store.
Parameters
----------
store
The filename, a :class:`~typing.MutableMapping`, or a Zarr storage class.
chunks
Chunk shape.
"""
from .._io.write import write_zarr
write_zarr(store, self, chunks=chunks)
[docs] def chunked_X(self, chunk_size: Optional[int] = None):
"""\
Return an iterator over the rows of the data matrix :attr:`X`.
Parameters
----------
chunk_size
Row size of a single chunk.
"""
if chunk_size is None:
# Should be some adaptive code
chunk_size = 6000
start = 0
n = self.n_obs
for _ in range(int(n // chunk_size)):
end = start + chunk_size
yield (self.X[start:end], start, end)
start = end
if start < n:
yield (self.X[start:n], start, n)
[docs] def chunk_X(
self,
select: Union[int, Sequence[int], np.ndarray] = 1000,
replace: bool = True,
):
"""\
Return a chunk of the data matrix :attr:`X` with random or specified indices.
Parameters
----------
select
Depending on the type:
:class:`int`
A random chunk with `select` rows will be returned.
:term:`sequence` (e.g. a list, tuple or numpy array) of :class:`int`
A chunk with these indices will be returned.
replace
If `select` is an integer then `True` means random sampling of
indices with replacement, `False` without replacement.
"""
if isinstance(select, int):
select = select if select < self.n_obs else self.n_obs
choice = np.random.choice(self.n_obs, select, replace)
elif isinstance(select, (np.ndarray, cabc.Sequence)):
choice = np.asarray(select)
else:
raise ValueError("select should be int or array")
reverse = None
if self.isbacked:
# h5py can only slice with a sorted list of unique index values
# so random batch with indices [2, 2, 5, 3, 8, 10, 8] will fail
# this fixes the problem
indices, reverse = np.unique(choice, return_inverse=True)
selection = self.X[indices.tolist()]
else:
selection = self.X[choice]
selection = selection.toarray() if issparse(selection) else selection
return selection if reverse is None else selection[reverse]
# --------------------------------------------------------------------------
# all of the following is for backwards compat
# --------------------------------------------------------------------------
@property
@utils.deprecated("is_view")
def isview(self):
return self.is_view
def _clean_up_old_format(self, uns):
# multicolumn keys
# all of the rest is only for backwards compat
for bases in [["obs", "smp"], ["var"]]:
axis = bases[0]
for k in [f"{p}{base}_keys_multicol" for p in ["", "_"] for base in bases]:
if uns and k in uns:
keys = list(uns[k])
del uns[k]
break
else:
keys = []
# now, for compat, fill the old multicolumn entries into obsm and varm
# and remove them from obs and var
m_attr = getattr(self, f"_{axis}m")
for key in keys:
m_attr[key] = self._get_and_delete_multicol_field(axis, key)
def _get_and_delete_multicol_field(self, a, key_multicol):
keys = []
for k in getattr(self, a).columns:
if k.startswith(key_multicol):
keys.append(k)
values = getattr(self, a)[keys].values
getattr(self, a).drop(keys, axis=1, inplace=True)
return values