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authorDan Allan <dallan@bnl.gov>2019-07-13 17:42:37 -0500
committerDan Allan <dallan@bnl.gov>2019-07-13 17:56:17 -0500
commit981103bf709df97ed0c916e45bc1fb0f8aa76666 (patch)
tree12ab98eb84d11671f074a3fd4e2f751a57be20ac /numpy/doc/dispatch.py
parent6533fc3c834c555f4df675ac3b21508e11d36e3e (diff)
downloadnumpy-981103bf709df97ed0c916e45bc1fb0f8aa76666.tar.gz
Add new section of custom array containers.
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+""".. _dispatch_mechanism:
+
+Numpy's dispatch mechanism, introduced in numpy version v1.16 is the
+recommended approach for writing custom N-dimensional array containers that are
+compatible with the numpy API and provide custom implementations of numpy
+functionality. Applications include `dask <http://dask.pydata.org>`_ arrays, an
+N-dimensional array distributed across multiple nodes, and `cupy
+<https://docs-cupy.chainer.org/en/stable/>`_ arrays, an N-dimensional array on
+a GPU.
+
+To get a feel for writing custom array containers, we'll begin with a simple
+example that has rather narrow utility but illustrates the concepts involved.
+
+>>> import numpy as np
+>>> class DiagonalArray:
+... def __init__(self, N, value):
+... self._N = N
+... self._i = value
+... def __repr__(self):
+... return f"{self.__class__.__name__}(N={self._N}, value={self._i})"
+... def __array__(self):
+... return self._i * np.eye(self._N)
+...
+
+Our custom array can be instantiated like:
+
+>>> arr = DiagonalArray(5, 1)
+>>> arr
+DiagonalArray(N=5, value=1)
+
+We can convert to a numpy array using :func:`numpy.array` or
+:func:`numpy.asarray`, which will call its ``__array__`` method to obtain a
+standard ``numpy.ndarray``.
+
+>>> np.asarray(arr)
+array([[1., 0., 0., 0., 0.],
+ [0., 1., 0., 0., 0.],
+ [0., 0., 1., 0., 0.],
+ [0., 0., 0., 1., 0.],
+ [0., 0., 0., 0., 1.]])
+
+If we operate on ``arr`` with a numpy function, numpy will again use the
+``__array__`` interface to convert it to an array and then apply the function
+in the usual way.
+
+>>> np.multiply(arr, 2)
+array([[2., 0., 0., 0., 0.],
+ [0., 2., 0., 0., 0.],
+ [0., 0., 2., 0., 0.],
+ [0., 0., 0., 2., 0.],
+ [0., 0., 0., 0., 2.]])
+
+
+Notice that the return type is a standard ``numpy.ndarray``.
+
+>>> type(arr)
+numpy.ndarray
+
+How can we pass our custom array type through this function? Numpy allows a
+class to indicate that it would like to handle computations in a custom-defined
+way through the interaces ``__array_ufunc__`` and ``__array_function__``. Let's
+take one at a time, starting with ``_array_ufunc__``. This method covers
+:ref:`ufuncs`, a class of functions that includes, for example,
+:func:`numpy.multiply` and :func:`numpy.sin`.
+
+The ``__array_ufunc__`` receives:
+
+- ``ufunc``, a function like ``numpy.multiply``
+- ``method``, a string, differentiating between ``numpy.multiply(...)`` and
+ variants like ``numpy.multiply.outer``, ``numpy.multiply.accumulate``, and so
+ on. For the common case, ``numpy.multiply(...)``, ``method == '__call__'``.
+- ``inputs``, which could be a mixture of different types
+- ``kwargs``, keyword arguments passed to the function
+
+For this example we will only handle the method ``'__call__``.
+
+>>> from numbers import Number
+>>> class DiagonalArray:
+... def __init__(self, N, value):
+... self._N = N
+... self._i = value
+... def __repr__(self):
+... return f"{self.__class__.__name__}(N={self._N}, value={self._i})"
+... def __array__(self):
+... return self._i * np.eye(self._N)
+... def __array_ufunc__(self, ufunc, method, *inputs, **kwargs):
+... if method == '__call__':
+... N = None
+... scalars = []
+... for input in inputs:
+... if isinstance(input, Number):
+... scalars.append(input)
+... elif isinstance(input, self.__class__):
+... scalars.append(input._i)
+... if N is not None:
+... if N != self._N:
+... raise TypeError("inconsistent sizes")
+... else:
+... N = self._N
+... else:
+... return NotImplemented
+... return self.__class__(N, ufunc(*scalars, **kwargs))
+... else:
+... return NotImplemented
+...
+
+Now our custom array type passes through numpy functions.
+
+>>> arr = DiagonalArray(5, 1)
+>>> np.multiply(arr, 3)
+DiagonalArray(N=5, value=3)
+>>> np.add(arr, 3)
+DiagonalArray(N=5, value=4)
+>>> np.sin(arr)
+DiagonalArray(N=5, value=0.8414709848078965)
+
+At this point ``arr + 3`` does not work.
+
+>>> arr + 3
+TypeError: unsupported operand type(s) for *: 'DiagonalArray' and 'int'
+
+To support it, we need to define the Python interfaces ``__add__``, ``__lt__``,
+and so on to dispatch to the corresponding ufunc. We can achieve this
+conveniently by inheriting from the mixin
+:class:`~numpy.lib.mixins.NDArrayOperatorsMixin`.
+
+>>> import numpy.lib.mixins
+>>> class DiagonalArray(numpy.lib.mixins.NDArrayOperatorsMixin):
+... def __init__(self, N, value):
+... self._N = N
+... self._i = value
+... def __repr__(self):
+... return f"{self.__class__.__name__}(N={self._N}, value={self._i})"
+... def __array__(self):
+... return self._i * np.eye(self._N)
+... def __array_ufunc__(self, ufunc, method, *inputs, **kwargs):
+... if method == '__call__':
+... N = None
+... scalars = []
+... for input in inputs:
+... if isinstance(input, Number):
+... scalars.append(input)
+... elif isinstance(input, self.__class__):
+... scalars.append(input._i)
+... if N is not None:
+... if N != self._N:
+... raise TypeError("inconsistent sizes")
+... else:
+... N = self._N
+... else:
+... return NotImplemented
+... return self.__class__(N, ufunc(*scalars, **kwargs))
+... else:
+... return NotImplemented
+...
+
+>>> arr = DiagonalArray(5, 1)
+>>> arr + 3
+DiagonalArray(N=5, value=4)
+>>> arr > 0
+DiagonalArray(N=5, value=True)
+
+Now let's tackle ``__array_function__``. We'll create dict that maps numpy
+functions to our custom variants.
+
+>>> HANDLED_FUNCTIONS = {}
+>>> class DiagonalArray(numpy.lib.mixins.NDArrayOperatorsMixin):
+... def __init__(self, N, value):
+... self._N = N
+... self._i = value
+... def __repr__(self):
+... return f"{self.__class__.__name__}(N={self._N}, value={self._i})"
+... def __array__(self):
+... return self._i * np.eye(self._N)
+... def __array_ufunc__(self, ufunc, method, *inputs, **kwargs):
+... if method == '__call__':
+... N = None
+... scalars = []
+... for input in inputs:
+... # In this case we accept only scalar numbers or DiagonalArrays.
+... if isinstance(input, Number):
+... scalars.append(input)
+... elif isinstance(input, self.__class__):
+... scalars.append(input._i)
+... if N is not None:
+... if N != self._N:
+... raise TypeError("inconsistent sizes")
+... else:
+... N = self._N
+... else:
+... return NotImplemented
+... return self.__class__(N, ufunc(*scalars, **kwargs))
+... else:
+... return NotImplemented
+... def __array_function__(self, func, types, args, kwargs):
+... if func not in HANDLED_FUNCTIONS:
+... return NotImplemented
+... # Note: this allows subclasses that don't override
+... # __array_function__ to handle DiagonalArray objects.
+... if not all(issubclass(t, self.__class__) for t in types):
+... return NotImplemented
+... return HANDLED_FUNCTIONS[func](*args, **kwargs)
+...
+
+A convenient pattern is to define a decorator ``implements`` that can be used
+to add functions to ``HANDLED_FUNCTIONS``.
+
+>>> def implements(np_function):
+... "Register an __array_function__ implementation for DiagonalArray objects."
+... def decorator(func):
+... HANDLED_FUNCTIONS[np_function] = func
+... return func
+... return decorator
+...
+
+Now we write implementations of numpy functions for ``DiagonalArray``.
+
+>>> @implements(np.sum)
+... def sum(a, axis=None, out=None):
+... "Implementation of np.sum for DiagonalArray objects"
+... if axis is not None:
+... raise TypeError("DiagonalArrays cannot be summed along one axis.")
+... return arr._i * arr._N
+...
+>>> @implements(np.mean)
+... def sum(a, axis=None, out=None):
+... "Implementation of np.mean for DiagonalArray objects"
+... return arr._i / arr._N
+...
+>>> arr = DiagonalArray(5, 1)
+>>> np.sum(arr)
+5
+>>> np.mean(arr)
+0.2
+
+For completeness, to support the usage ``arr.sum()`` add a method ``sum`` that
+calls ``numpy.sum(self)``, and the same for ``mean``.
+
+If the user tries to use any numpy functions not included in
+``HANDLED_FUNCTIONS``, a ``TypeError`` will be raised by numpy, indicating that
+this operation is not supported. For example, concatenating two
+``DiagonalArrays`` does not produce another diagonal array, so it is not
+supported.
+
+>>> np.concatenate([arr, arr])
+TypeError: no implementation found for 'numpy.concatenate' on types that implement __array_function__: [<class '__main__.DiagonalArray'>]
+
+The user always has the option of converting to a normal
+``numpy.ndarray`` with :func:`numpy.asarray` and using standard numpy from there.
+
+>>> np.concatenate([np.asarray(arr), np.asarray(arr)])
+array([[1., 0., 0., 0., 0.],
+ [0., 1., 0., 0., 0.],
+ [0., 0., 1., 0., 0.],
+ [0., 0., 0., 1., 0.],
+ [0., 0., 0., 0., 1.],
+ [1., 0., 0., 0., 0.],
+ [0., 1., 0., 0., 0.],
+ [0., 0., 1., 0., 0.],
+ [0., 0., 0., 1., 0.],
+ [0., 0., 0., 0., 1.]])
+
+Refer to the `dask source code <https://github.com/dask/dask>`_ and
+`cupy source code <https://github.com/cupy/cupy>`_ for more fully-worked
+examples of custom array containers.
+
+See also `NEP 18 <http://www.numpy.org/neps/nep-0018-array-function-protocol.html>`_.
+"""