Source code for scitools.numpytools

"""
%s

%s
"""
    
import os, sys, operator, math


# copied into this file by preprocess.py:
"""
Note:
This module stems from the days when there were three (almost) competing
Numerical Python implementations around and people wanted to be able
to switch between these implementations in their Python programs.
Nowadays, numpy is the dominating module, and the use of _numpyload and
numpytools is no longer particularly fruitful. For backward compatibility
of scitools, the two modules still exist.


Unified array computing interface
=================================

Numeric, numarray, and numpy can be viewed as three different
implementations of Numerical Python functionality.  The present module
enables writing scripts that are independent of the particular choice
of Numeric, numarray, or numpy. That is, the idea is that any of these
modules can be replaced by one of the alternatives, and the script
should still work. This requires the script to only use the set of
instructions that are common to Numeric, numarray, and numpy.

One reason for wanting the flexibility is that the different
implementations may exhibit different computational efficiency in
different applications. It also makes it trivial to adopt new versions
of Numerical Python in old scripts.


Basic Usage
-----------

To achieve a script that makes transparent use of Numeric, numarray, and
numpy, one needs to do one of the following imports::

  from scitools.numpytools import *
  # or
  import scitools.numpytools as N

Then one should never explicitly import Numeric, numarray, or numpy,
and explicitly use functions in these modules as this may cause
different array types to be mixed in the same application. Only call
the functions that were imported by the star or prefix functions by
the N symbol.


What Gets Imported?
-------------------

All symbols from either Numeric, numarray, or numpy are imported
into the global namespace of this numpytools module::

  from Numeric import *
  #or
  from numarray import *
  #or
  from numpy import *

Also the modules for random arrays, linear algebra, Matlab functions,
and FFT are imported. One problem with switching between Numeric,
numarray, and numpy is the additional modules for random arrays, etc.,
have different names in the three packages. For example::

  Numeric has LinearAlgebra
  numarray has numarray.linear_algebra.LinearAlgebra2
  numpy has numpy.linalg

The Numeric names are always available in addition to the native names.
For example, an import numpy.linalg is associated with a::

  LinearAlgebra = numpy.linalg
  
Note that the MA module is not imported since it redefines
the repr function (array([1,2]) becomes [1,2] as for a list) if
the Numeric is used. The user must always explicitly import this package
if Numeric is used as basic array module.

Note that the numpytools module also makes some extensions of Numerical
Python available, see the section "Functionality of this module that
extends Numerical Python" (below).


What to use: Numeric, numarray, or numpy?
-----------------------------------------

The present module defines a global variable basic_NumPy holding
either "Numeric", "numarray", or "numpy", depending on which module
that was actually imported.

To determine whether Numeric, numarray, or numpy is to be imported,
the following procedure is applied:

  1. The command line arguments are checked for a --numarray,
     --Numeric, or --numpy option.
   
  2. If the user has already imported Numeric, numarray, or numpy by an::

     import Numeric
     #or
     import numarray
     #or
     import numpy

     statement, the present module continues to import from the same
     module (module in sys.modules is used to check whether it should
     be Numeric, numarray, or numpy). If the user has imported more than
     one of the three module alternatives, numpy is used.
   
  3. The environment variable NUMPYARRAY is checked.
     If this variable contains "numarray", "Numeric", or "numpy" the
     corresponding module is imported.

If neither 1., 2., nor 3. determines the import, i.e., the user has not
explicitly indicated what to use, the new numpy is the default choice.

Some Functions for Unified Usage
--------------------------------

Some operations, like finding the maximum and minimum values in an array,
or controlling the output format when printing arrays, have different
syntax in the different Numerical Python implementations. The functions
below attempt to provide a uniform syntax to functionality with
different names in Numeric, numarray, and numpy:

 - NumPyArray:
           the type used in isinstance(a,NumPyArray) for
           checking if a is a NumPy array

 - arrmin, arrmax:
           compute maximum and minimum of all array entries
           (same as amin(a,None) and amax(a,None) in scipy)

 - array_output_precision(n):
           print arrays with n decimals

 - NumPy_type:
           returns the type of an array, i.e., "Numeric", "numarray",
           or "numpy"
           
 - NumPy_dtype:
           returns the type of the data in an array, i.e., 'd', 'i', etc.
           
 - fortran_storage:
           transparent transform of an array to column major (Fortran) storage
           that preserves the nature (Numeric, numarray, numpy) of the array

Some frequently standard modules like sys, os, and operator are
imported into the namespace of the present module.
"""
import sys, os

# The first task to accomplish in this module is to determine
# whether to use Numeric, numarray, or numpy

basic_NumPy = None  # will later hold 'Numeric', 'numarray', or 'numpy'

# check the command line (this code is similar to matplotlib.numerix):
if basic_NumPy is None:
    if hasattr(sys, 'argv'):  # Apache mod_python has no argv
        for _a in sys.argv:
            if _a in ["--Numeric", "--numeric", "--NUMERIC"]:
                basic_NumPy = 'Numeric'
                break
            if _a in ["--Numarray", "--numarray", "--NUMARRAY"]:
                basic_NumPy = 'numarray'
                break
            if _a in ["--NumPy", "--numpy", "--NUMPY"]:
                basic_NumPy = 'numpy'
                break
        del _a  # don't pollute the global namespace

# check if the user has already done an import Numeric, import numarray,
# or import numpy; use the module that was imported

if basic_NumPy is None:
    if 'numpy' in sys.modules:
        basic_NumPy = 'numpy'
    elif 'numarray' in sys.modules:
        basic_NumPy = 'numarray'
    elif 'Numeric' in sys.modules:
        basic_NumPy = 'Numeric'

# check the environment variable NUMPYARRAY:
if basic_NumPy is None:
    if os.environ.has_key('NUMPYARRAY'):
        if   os.environ['NUMPYARRAY'] == 'numpy':
            basic_NumPy = 'numpy'
        elif os.environ['NUMPYARRAY'] == 'numarray':
            basic_NumPy = 'numarray'
        elif os.environ['NUMPYARRAY'] == 'Numeric':
            basic_NumPy = 'Numeric'

if basic_NumPy is None:  basic_NumPy = 'numpy' # final default choice

if basic_NumPy not in ('Numeric', 'numarray', 'numpy'):
    raise ImportError('cannot decide which Numerical Python '\
          'implementation to use (ended up with "%s")' % basic_NumPy)

#print 'from', basic_NumPy, 'import *'

# table of equivalent names of Numerical Python modules:
# (used to import modules under Numeric, numarray, or numpy name)

_NumPy_modules = (
    ('Numeric', 'numarray', 'numpy'),
    # umath and Precision are included as part of Numeric, numarray, numpy
    ('LinearAlgebra', 'numarray.linear_algebra.LinearAlgebra2',
     'numpy.linalg'),
    ('RandomArray', 'numarray.random_array.RandomArray2', 'numpy.random'),
    ('RNG', '', 'numpy.random'),
    ('FFT', 'numarray.fft', 'numpy.fft'),
    ('MLab', 'numarray.linear_algebra.mlab', 'numpy.oldnumeric.mlab'),
    ('MA', 'numarray.ma.MA', 'numpy.ma'),
    )
     
if basic_NumPy == 'numpy':
    try:
        # fix backward compatibility with Numeric names:
	import numpy
	oldversion = (numpy.version.version[0] == '0')
        majorversion = int(numpy.version.version[0])
        minorversion = int(numpy.version.version[2])
	for _Numeric_name, _dummy1, _numpy_name in _NumPy_modules[1:]:
	    if oldversion and (_Numeric_name in ['RNG', 'FFT']):
		n, module = _numpy_name.split('.')
		exec "from %s import %s as %s" %(n, module, _Numeric_name)
	    elif oldversion and (_Numeric_name == 'MLab'):
		from numpy.lib import mlab as MLab
            elif (oldversion or (majorversion == 1 and minorversion < 1)) \
                     and (_Numeric_name == 'MA'):
                import numpy.core.ma; MA = numpy.core.ma
	    elif _numpy_name != '':
		exec 'import %s; %s = %s' % \
		(_numpy_name, _Numeric_name, _numpy_name)
		
	del _Numeric_name, _dummy1, _numpy_name, _NumPy_modules

	from numpy import *
	if not oldversion:
	    # get the old names too (NewAxis, Float, etc.):
	    from numpy.oldnumeric import *
	del oldversion
        # define new names compatible with Numeric:
        LinearAlgebra.solve_linear_equations = linalg.solve
        LinearAlgebra.inverse = linalg.inv
        LinearAlgebra.determinant = linalg.det
        LinearAlgebra.eigenvalues = linalg.eigvals
        LinearAlgebra.eigenvectors = linalg.eig

    except ImportError, e:
        raise ImportError('%s\nnumpy import failed!\n'\
              'see doc of %s module for how to choose Numeric instead' % \
              (e, __name__))


    def array_output_precision(no_of_decimals):
        """Set no of decimals in printout of arrays."""
        arrayprint.set_precision(no_of_decimals)

    def arrmax(a):
        """Compute the maximum of all the entries in a."""
        try:
            return a.max()
        except AttributeError:
            # not a NumPy array
            if operator.isSequenceType(a):
                return max(a)  # does not work for nested sequences
            elif operator.isNumberType(a):
                return a
            else:
                raise TypeError('arrmax of %s not supported' % type(a))

    def arrmin(a):
        """Compute the minimum of all the entries in a."""
        try:
            return a.min()
        except AttributeError:
            # not a NumPy array
            if operator.isSequenceType(a):
                return min(a)  # does not work for nested sequences
            elif operator.isNumberType(a):
                return a
            else:
                raise TypeError('arrmin of %s not supported' % type(a))

    NumPyArray = ndarray

if basic_NumPy == 'numarray':
    try:
        for _Numeric_name, _numarray_name, _dummy1 in _NumPy_modules[1:]:
            if _numarray_name:
                exec 'import %s; %s = %s' % \
                     (_numarray_name, _Numeric_name, _numarray_name)

        # RNG is not supported, make an object that gives an error message:
        class __Dummy:
            def __getattr__(self, name):
                raise ImportError('You have chosen the numarray package, '\
                'but it does not have the functionality of the RNG module')
        RNG = __Dummy()
        del _Numeric_name, _numarray_name, _dummy1, __Dummy, _NumPy_modules
        
        from numarray import *

    except ImportError, e:
        raise ImportError('%s\nnumarray import failed!\n'\
        'see doc of %s module for how to choose Numeric instead' % \
        (e, __name__))

    def array_output_precision(no_of_decimals):
        """Set no of decimals in printout of arrays."""
        arrayprint.set_precision(no_of_decimals)

    def arrmax(a):
        """Compute the maximum of all the entries in a."""
        try:
            return a.max()
        except AttributeError:
            # not a NumPy array
            if operator.isSequenceType(a):
                return max(a)  # does not work for nested sequences
            elif operator.isNumberType(a):
                return a
            else:
                raise TypeError('arrmax of %s not supported' % type(a))

    def arrmin(a):
        """Compute the minimum of all the entries in a."""
        try:
            return a.min()
        except AttributeError:
            # not a NumPy array
            if operator.isSequenceType(a):
                return min(a)  # does not work for nested sequences
            elif operator.isNumberType(a):
                return a
            else:
                raise TypeError('arrmin of %s not supported' % type(a))

    NumPyArray = NumArray

if basic_NumPy == 'Numeric':
    try:
        for _Numeric_name, _dummy1, _dummy2 in _NumPy_modules[1:]:
            if _Numeric_name != 'MA':  # exclude MA, see comment above
                exec 'import %s' % _Numeric_name
        del _Numeric_name, _dummy1, _dummy2, _NumPy_modules

        from Numeric import *

        # the following is perhaps not a good idea;
        # Numeric.UserArray and numarray.NumArray have different
        # data attributes!
        from UserArray import UserArray as NumArray

        # define new numpy names:
        newaxis = NewAxis
        def linspace(start, stop, num=50, endpoint=True, retstep=False):
            return asarray(numpy.linspace(start, stop, num, endpoint, retstep))

        
        # hack if LinearAlgebra.eigenvalues hang (because of trouble
        # with gcc and Numeric and -ffloat-store flag):

        _problems = False
        if _problems:
            def numpy_eigenvalues(A):
                """
                Temporary wrapper for Numeric's LinearAlgebra.eigenvalues.
                Convert A to numpy, call numpy's eigenvalues,
                convert back to Numeric.
                """
                import numpy
                A = numpy.array(A)
                E = numpy.linalg.eigenvalues(A)
                import Numeric
                E = Numeric.array(E)
                return E

            def numpy_eigenvectors(A):
                """
                Temporary wrapper for Numeric's LinearAlgebra.eigenvectors.
                Convert A to numpy, call numpy's eigenvalues,
                convert back to Numeric.
                """
                import numpy
                A = numpy.array(A)
                E, V = numpy.linalg.eigenvectors(A)
                import Numeric
                E = Numeric.array(E)
                V = Numeric.array(V)
                return E, V

            LinearAlgebra.eigenvalues = numpy_eigenvalues
            LinearAlgebra.eigenvectors = numpy_eigenvectors
        del _problems
        
    except ImportError, e:
        raise ImportError('%s\nNumeric import failed!\n'\
        'see doc of %s module for how to choose numarray instead' % \
        (e, __name__))


    # fix of matrixmultiply bug in Numeric (according to Fernando Perez,
    # SciPy-dev mailing list, Sep 28, 2004:
    # http://www.scipy.net/pipermail/scipy-dev/2004-September/002267.html,
    # matrixmultiply is dot if not dotblas is used, otherwise dot is
    # imported from dotblas, and matrixmultiply becomes the unoptimized
    # version (Perez timed the difference to be 0.55 vs 122.6 on his
    # computer)):
    matrixmultiply = dot

[docs] def array_output_precision(no_of_decimals): """Set no of decimals in printout of arrays.""" sys.float_output_precision = no_of_decimals
[docs] def arrmax(a): """Compute the maximum of all the entries in a.""" # could set arrmax = amax in scipy if scipy is installed try: return max(a.flat) # use Python's list min except AttributeError: # not a NumPy array if operator.isSequenceType(a): return max(a) elif operator.isNumberType(a): return a else: raise TypeError('arrmax of %s not supported' % type(a))
[docs] def arrmin(a): """Compute the minimum of all the entries in a.""" # could set arrmin = amin in scipy if scipy is installed try: return min(a.flat) except AttributeError: # not a NumPy array if operator.isSequenceType(a): return min(a) elif operator.isNumberType(a): return a else: raise TypeError('arrmin of %s not supported' % type(a))
NumPyArray = ArrayType # support numpy types: int_ = Int int0 = Int0 int8 = Int8 int16 = Int16 int32 = Int32 float_ = Float float32 = Float32 float64 = Float64 complex_ = Complex complex64 = Complex64 _N = __import__(basic_NumPy) NumPy_version = _N.__version__ del _N # Short forms: fft = FFT mlab = MLab try: ma = MA except NameError: # for Numeric we do not import MA since it affects output format pass ra = RandomArray la = LinearAlgebra
[docs]def NumPy_type(a): """ @param a: NumPy array @return: "Numeric", "numarray", or "numpy", depending on which module that was used to generate the a array If type is list or tuple then the corresponding typename will be returned """ # check basic_NumPy type first to avoid possible import errors types = {'Numeric': 'Numeric.ArrayType', 'numarray': 'numarray.NumArray', 'numpy': 'numpy.ndarray'} # Check for non NumPy types first if isinstance(a, tuple): return "tuple" elif isinstance(a, list): return "list" exec "import %s" % basic_NumPy # Why isn't basic_NumPy imported? if isinstance(a, eval(types[basic_NumPy])): return basic_NumPy # not the main NumPy type, try the others: import numpy if isinstance(a, numpy.ndarray): return 'numpy' import Numeric if isinstance(a, Numeric.ArrayType): return 'Numeric' import numarray if isinstance(a, numarray.NumArray): return 'numarray'
[docs]def NumPy_dtype(a): """ @param a: NumPy array @return: array data type, as a character, depending on which module that was used to generate the a array (a.typecode() for Numeric and numarray, a.dtype for numpy). """ if NumPy_type(a) == 'Numeric': return a.typecode() elif NumPy_type(a) == 'numarray': return a.typecode() elif NumPy_type(a) == 'numpy': return a.dtype else: raise TypeError("array should be NumPy array, not %s" % type(a))
[docs]def fortran_storage(a): """ Transparent transform of a NumPy array to Fortran (column major) storage. @param a: NumPy array (generated in Python or C with C storage) @return: a new NumPy array with column major storage. Method: If a is of numpy type, numpy.asarray(a, fortran=True) is used to produce the new array. If a is of Numeric or numarray type, we want to preserve the array type and use a simple (and slower) transpose(transpose(a).copy()) instead. """ if NumPy_type(a) == 'Numeric' or NumPy_type(a) == 'numarray': return transpose(transpose(a).copy()) else: import numpy return numpy.asarray(a, fortran=True)
""" Functionality of this module that extends Numerical Python ========================================================== - solve_tridiag_linear_system: returns the solution of a tridiagonal linear system - wrap2callable: tool for turning constants, discrete data, string formulas, function objects, or plain functions into an object that behaves as a function - NumPy_array_iterator: allows iterating over all array elements using a single, standard for loop (for value, index in iterator), has some additional features compared with numpy.ndenumerate - asarray_cpwarn: as ``numpy.asarray(a)``, but a warning or exception is issued if the array a is copied - meshgrid: extended version of ``numpy.meshgrid`` to 1D, 2D and 3D grids, with sparse or dense coordinate arrays and matrix or grid indexing - ndgrid: same as calling ``meshgrid`` with indexing='ij' (matrix indexing) - float_eq: ``operator ==`` for float operands with tolerance, ``float_eq(a,b,tol)`` means ``abs(a-b) < tol`` works for both scalar and array arguments (similar functions for other operations exists: ``float_le``, ``float_lt``, ``float_ge``, ``float_gt``, ``float_ne``) - cut_noise: set all small (noise) elements of an array to zero - matrix_rank: compute the rank of a matrix - orth: compute an orthonormal basis from a matrix (taken from ``scipy.linalg`` to avoid ``scipy`` dependence) - null: compute the null space of a matrix - norm_L2, norm_l2, norm_L1, norm_l1, norm_inf: discrete and continuous norms for multi-dimensional arrays viewed as vectors - compute_historgram: return x and y arrays of a histogram, given a vector of samples - seq: ``seq(a,b,s, [type])`` computes numbers from ``a`` up to and including ``b`` in steps of s and (default) type ``float_``; - iseq: as ``seq``, but integer counters are computed (``iseq`` is an alternative to range where the upper limit is included in the sequence - this can be important for direct mapping of indices between mathematics and Python code); """ if __name__.find('numpyutils') != -1: from numpy import * #else if name is some other module name: # this file is included in numpytools.py (through a preprocessing step) # and the code below then relies on previously imported Numerical Python # modules (Numeric, numpy, numarray) import operator from FloatComparison import float_eq, float_ne, float_lt, float_le, \ float_gt, float_ge
[docs]def meshgrid(x=None, y=None, z=None, sparse=False, indexing='xy', memoryorder=None): """ Extension of ``numpy.meshgrid`` to 1D, 2D and 3D problems, and also support of both "matrix" and "grid" numbering. This extended version makes 1D/2D/3D coordinate arrays for vectorized evaluations of 1D/2D/3D scalar/vector fields over 1D/2D/3D grids, given one-dimensional coordinate arrays x, y, and/or, z. >>> x=linspace(0,1,3) # coordinates along x axis >>> y=linspace(0,1,2) # coordinates along y axis >>> xv, yv = meshgrid(x,y) # extend x and y for a 2D xy grid >>> xv array([[ 0. , 0.5, 1. ], [ 0. , 0.5, 1. ]]) >>> yv array([[ 0., 0., 0.], [ 1., 1., 1.]]) >>> xv, yv = meshgrid(x,y, sparse=True) # make sparse output arrays >>> xv array([[ 0. , 0.5, 1. ]]) >>> yv array([[ 0.], [ 1.]]) >>> # 2D slice of a 3D grid, with z=const: >>> z=5 >>> xv, yv, zc = meshgrid(x,y,z) >>> xv array([[ 0. , 0.5, 1. ], [ 0. , 0.5, 1. ]]) >>> yv array([[ 0., 0., 0.], [ 1., 1., 1.]]) >>> zc 5 >>> # 2D slice of a 3D grid, with x=const: >>> meshgrid(2,y,x) (2, array([[ 0., 1.], [ 0., 1.], [ 0., 1.]]), array([[ 0. , 0. ], [ 0.5, 0.5], [ 1. , 1. ]])) >>> meshgrid(0,1,5, sparse=True) # just a 3D point (0, 1, 5) >>> meshgrid(y) # 1D grid; y is just returned array([ 0., 1.]) >>> meshgrid(x,y, indexing='ij') # change to matrix indexing (array([[ 0. , 0. ], [ 0.5, 0.5], [ 1. , 1. ]]), array([[ 0., 1.], [ 0., 1.], [ 0., 1.]])) Why does SciTools has its own meshgrid function when numpy has three similar functions, ``mgrid``, ``ogrid``, and ``meshgrid``? The ``meshgrid`` function in numpy is limited to two dimensions only, while the SciTools version can also work with 3D and 1D grids. In addition, the numpy version of ``meshgrid`` has no option for generating sparse grids to conserve memory, like we have in SciTools by specifying the ``sparse`` argument. Moreover, the numpy functions ``mgrid`` and ``ogrid`` does provide support for, respectively, full and sparse n-dimensional meshgrids, however, these functions uses slices to generate the meshgrids rather than one-dimensional coordinate arrays such as in Matlab. With slices, the user does not have the option to generate meshgrid with, e.g., irregular spacings, like:: >>> x = array([-1,-0.5,1,4,5], float) >>> y = array([0,-2,-5], float) >>> xv, yv = meshgrid(x, y, sparse=False) >>> xv array([[-1. , -0.5, 1. , 4. , 5. ], [-1. , -0.5, 1. , 4. , 5. ], [-1. , -0.5, 1. , 4. , 5. ]]) >>> yv array([[ 0., 0., 0., 0., 0.], [-2., -2., -2., -2., -2.], [-5., -5., -5., -5., -5.]]) In addition to the reasons mentioned above, the ``meshgrid`` function in numpy supports only Cartesian indexing, i.e., x and y, not matrix indexing, i.e., rows and columns (on the other hand, ``mgrid`` and ``ogrid`` supports only matrix indexing). The ``meshgrid`` function in SciTools supports both indexing conventions through the ``indexing`` keyword argument. Giving the string ``'ij'`` returns a meshgrid with matrix indexing, while ``'xy'`` returns a meshgrid with Cartesian indexing. The difference is illustrated by the following code snippet:: nx = 10 ny = 15 x = linspace(-2,2,nx) y = linspace(-2,2,ny) xv, yv = meshgrid(x, y, sparse=False, indexing='ij') for i in range(nx): for j in range(ny): # treat xv[i,j], yv[i,j] xv, yv = meshgrid(x, y, sparse=False, indexing='xy') for i in range(nx): for j in range(ny): # treat xv[j,i], yv[j,i] It is not entirely true that matrix indexing is not supported by the ``meshgrid`` function in numpy because we can just switch the order of the first two input and output arguments:: >>> yv, xv = numpy.meshgrid(y, x) >>> # same as: >>> xv, yv = meshgrid(x, y, indexing='ij') However, we think it is clearer to have the logical "x, y" sequence on the left-hand side and instead adjust a keyword argument. """ import types def fixed(coor): return isinstance(coor, (float, complex, int, types.NoneType)) if not fixed(x): x = asarray(x) if not fixed(y): y = asarray(y) if not fixed(z): z = asarray(z) def arr1D(coor): try: if len(coor.shape) == 1: return True else: return False except AttributeError: return False # if two of the arguments are fixed, we have a 1D grid, and # the third argument can be reused as is: if arr1D(x) and fixed(y) and fixed(z): return x if fixed(x) and arr1D(y) and fixed(z): return y if fixed(x) and fixed(y) and arr1D(z): return z # if x,y,z are identical, make copies: try: if y is x: y = x.copy() if z is x: z = x.copy() if z is y: z = y.copy() except AttributeError: # x, y, or z not numpy array pass if memoryorder is not None: import warnings msg = "Keyword argument 'memoryorder' is deprecated and will be " \ "removed in the future. Please use the 'indexing' keyword " \ "argument instead." warnings.warn(msg, DeprecationWarning) if memoryorder == 'xyz': indexing = 'ij' else: indexing = 'xy' # If the keyword argument sparse is set to False, the full N-D matrix # (not only the 1-D vector) should be returned. The mult_fact variable # should then be updated as necessary. mult_fact = 1 # if only one argument is fixed, we have a 2D grid: if arr1D(x) and arr1D(y) and fixed(z): if indexing == 'ij': if not sparse: mult_fact = ones((len(x),len(y))) if z is None: return x[:,newaxis]*mult_fact, y[newaxis,:]*mult_fact else: return x[:,newaxis]*mult_fact, y[newaxis,:]*mult_fact, z else: if not sparse: mult_fact = ones((len(y),len(x))) if z is None: return x[newaxis,:]*mult_fact, y[:,newaxis]*mult_fact else: return x[newaxis,:]*mult_fact, y[:,newaxis]*mult_fact, z if arr1D(x) and fixed(y) and arr1D(z): if indexing == 'ij': if not sparse: mult_fact = ones((len(x),len(z))) if y is None: return x[:,newaxis]*mult_fact, z[newaxis,:]*mult_fact else: return x[:,newaxis]*mult_fact, y, z[newaxis,:]*mult_fact else: if not sparse: mult_fact = ones((len(z),len(x))) if y is None: return x[newaxis,:]*mult_fact, z[:,newaxis]*mult_fact else: return x[newaxis,:]*mult_fact, y, z[:,newaxis]*mult_fact if fixed(x) and arr1D(y) and arr1D(z): if indexing == 'ij': if not sparse: mult_fact = ones((len(y),len(z))) if x is None: return y[:,newaxis]*mult_fact, z[newaxis,:]*mult_fact else: return x, y[:,newaxis]*mult_fact, z[newaxis,:]*mult_fact else: if not sparse: mult_fact = ones((len(z),len(y))) if x is None: return y[newaxis,:]*mult_fact, z[:,newaxis]*mult_fact else: return x, y[newaxis,:]*mult_fact, z[:,newaxis]*mult_fact # or maybe we have a full 3D grid: if arr1D(x) and arr1D(y) and arr1D(z): if indexing == 'ij': if not sparse: mult_fact = ones((len(x),len(y),len(z))) return x[:,newaxis,newaxis]*mult_fact, \ y[newaxis,:,newaxis]*mult_fact, \ z[newaxis,newaxis,:]*mult_fact else: if not sparse: mult_fact = ones((len(y),len(x),len(z))) return x[newaxis,:,newaxis]*mult_fact, \ y[:,newaxis,newaxis]*mult_fact, \ z[newaxis,newaxis,:]*mult_fact # at this stage we assume that we just have scalars: l = [] if x is not None: l.append(x) if y is not None: l.append(y) if z is not None: l.append(z) if len(l) == 1: return l[0] else: return tuple(l)
[docs]def ndgrid(*args,**kwargs): """ Same as calling ``meshgrid`` with *indexing* = ``'ij'`` (see ``meshgrid`` for documentation). """ kwargs['indexing'] = 'ij' return meshgrid(*args,**kwargs)
[docs]def length(a): """Return the length of the largest dimension of array a.""" return max(a.shape)
[docs]def cut_noise(a, tol=1E-10): """ Set elements in array a to zero if the absolute value is less than tol. """ a[abs(a) < tol] = 0 return a
[docs]def Gram_Schmidt1(vecs, row_wise_storage=True): """ Apply the Gram-Schmidt orthogonalization algorithm to a set of vectors. vecs is a two-dimensional array where the vectors are stored row-wise, or vecs may be a list of vectors, where each vector can be a list or a one-dimensional array. An array basis is returned, where basis[i,:] (row_wise_storage is True) or basis[:,i] (row_wise_storage is False) is the i-th orthonormal vector in the basis. This function does not handle null vectors, see Gram_Schmidt for a (slower) function that does. """ from numpy.linalg import inv from math import sqrt vecs = asarray(vecs) # transform to array if list of vectors m, n = vecs.shape basis = array(transpose(vecs)) eye = identity(n).astype(float) basis[:,0] /= sqrt(dot(basis[:,0], basis[:,0])) for i in range(1, m): v = basis[:,i]/sqrt(dot(basis[:,i], basis[:,i])) U = basis[:,:i] P = eye - dot(U, dot(inv(dot(transpose(U), U)), transpose(U))) basis[:, i] = dot(P, v) basis[:, i] /= sqrt(dot(basis[:, i], basis[:, i])) return transpose(basis) if row_wise_storage else basis
[docs]def Gram_Schmidt(vecs, row_wise_storage=True, tol=1E-10, normalize=False, remove_null_vectors=False, remove_noise=False): """ Apply the Gram-Schmidt orthogonalization algorithm to a set of vectors. vecs is a two-dimensional array where the vectors are stored row-wise, or vecs may be a list of vectors, where each vector can be a list or a one-dimensional array. The argument tol is a tolerance for null vectors (the absolute value of all elements must be less than tol to have a null vector). If normalize is True, the orthogonal vectors are normalized to form an orthonormal basis. If remove_null_vectors is True, all null vectors are removed from the resulting basis. If remove_noise is True, all elements whose absolute values are less than tol are set to zero. An array basis is returned, where basis[i,:] (row_wise_storage is True) or basis[:,i] (row_wise_storage is False) is the i-th orthogonal vector in the basis. This function handles null vectors, see Gram_Schmidt1 for a (faster) function that does not. """ # The algorithm below views vecs as a matrix A with the vectors # stored as columns: vecs = asarray(vecs) # transform to array if list of vectors if row_wise_storage: A = transpose(vecs).copy() else: A = vecs.copy() m, n = A.shape V = zeros((m,n)) for j in xrange(n): v0 = A[:,j] v = v0.copy() for i in xrange(j): vi = V[:,i] if (abs(vi) > tol).any(): v -= (vdot(v0,vi)/vdot(vi,vi))*vi V[:,j] = v if remove_null_vectors: indices = [i for i in xrange(n) if (abs(V[:,i]) < tol).all()] V = V[ix_(range(m), indices)] if normalize: for j in xrange(V.shape[1]): V[:,j] /= linalg.norm(V[:,j]) if remove_noise: V = cut_noise(V, tol) return transpose(V) if row_wise_storage else V
[docs]def matrix_rank(A): """ Returns the rank of a matrix A (rank means an estimate of the number of linearly independent rows or columns). """ A = asarray(A) u, s, v = svd(A) maxabs = norm(x) maxdim = max(A.shape) tol = maxabs*maxdim*1E-13 r = s > tol return sum(r)
[docs]def orth(A): """ (Plain copy from scipy.linalg.orth - this one here applies numpy.svd and avoids the need for having scipy installed.) Construct an orthonormal basis for the range of A using SVD. @param A: array, shape (M, N) @return: Q : array, shape (M, K) Orthonormal basis for the range of A. K = effective rank of A, as determined by automatic cutoff see also svd (singular value decomposition of a matrix in scipy.linalg) """ u,s,vh = svd(A) M,N = A.shape tol = max(M,N)*numpy.amax(s)*eps num = numpy.sum(s > tol,dtype=int) Q = u[:,:num] return Q
[docs]def null(A, tol=1e-10, row_wise_storage=True): """ Return the null space of a matrix A. If row_wise_storage is True, a two-dimensional array where the vectors that span the null space are stored as rows, otherwise they are stored as columns. Code by Bastian Weber based on code by Robert Kern and Ryan Krauss. """ n, m = A.shape if n > m : return transpose(null(transpose(A), tol)) u, s, vh = linalg.svd(A) s = append(s, zeros(m))[0:m] null_mask = (s <= tol) null_space = compress(null_mask, vh, axis=0) null_space = conjugate(null_space) # in case of complex values if row_wise_storage: return null_space else: return transpose(null_space)
[docs]class Heaviside: """Standard and smoothed Heaviside function."""
[docs] def __init__(self, eps=0): self.eps = eps # smoothing parameter
[docs] def __call__(self, x): if self.eps == 0: r = x >= 0 if isinstance(x, (int,float)): return int(r) elif isinstance(x, ndarray): return asarray(r, dtype=int) else: if isinstance(x, (int,float)): return self._smooth_scalar(x) elif isinstance(x, ndarray): return self._smooth_vec(x)
def _exact_scalar(self, x): return 1 if x >= 0 else 0 def _exact_bool(self, x): return x >= 0 # works for scalars and arrays, but returns bool def _exact_vec1(self, x): return where(x >= 0, 1, 0) def _exact_vec2(self, x): r = zeros_like(x) r[x >= 0] = 1 return r def _smooth_scalar(self, x): eps = self.eps if x < -eps: return 0 elif x > eps: return 1 else: return 0.5 + x/(2*eps) + 1./(2*pi)*sin(pi*x/eps) def _smooth_vec(self, x): eps = self.eps r = zeros_like(x) condition1 = operator.and_(x >= -eps, x <= eps) xc = x[condition1] r[condition1] = 0.5 + xc/(2*eps) + 1./(2*pi)*sin(pi*xc/eps) r[x > eps] = 1 return r
[docs] def plot(self, center=0, xmin=-1, xmax=1): """ Return arrays x, y for plotting the Heaviside function H(x-`center`) on [`xmin`, `xmax`]. For the exact Heaviside function, ``x = [xmin, center, center, xmax]; y = [0, 0, 1, 1]``, while for the smoothed version, the ``x`` array is computed on basis of the `eps` parameter. """ if self.eps == 0: return [xmin, center, center, xmax], [0, 0, 1, 1] else: n = 200./self.eps x = concatenate( linspace(xmin, center-self.eps, 21), linspace(center-self.eps, center+self.eps, n+1), linspace(center+self.eps, xmax, 21)) y = self(x) return x, y
[docs]class DiracDelta: """ Smoothed Dirac delta function: $\frac{1}{2\epsilon}(1 + \cos(\pi x/\epsilon)$ when $x\in [-\epsilon, \epsilon]$ and 0 elsewhere. """
[docs] def __init__(self, eps, vectorized=False): self.eps = eps if self.eps == 0: raise ValueError('eps=0 is not allowed in class DiracDelta.')
[docs] def __call__(self, x): if isinstance(x, (float, int)): return _smooth(x) elif isinstance(x, ndarray): return _smooth_vec(x) else: raise TypeError('%s x is wrong' % type(x))
def _smooth(self, x): eps = self.eps if x < -eps or x > eps: return 0 else: return 1./(2*eps)*(1 + cos(pi*x/eps)) def _smooth_vec(self, x): eps = self.eps r = zeros_like(x) condition1 - operator.and_(x >= -eps, x <= eps) xc = x[condition1] r[condition1] = 1./(2*eps)*(1 + cos(pi*xc/eps)) return r
[docs] def plot(self, center=0, xmin=-1, xmax=1): """ Return arrays x, y for plotting the DiracDelta function centered in `center` on the interval [`xmin`, `xmax`]. """ n = 200./self.eps x = concatenate( linspace(xmin, center-self.eps, 21), linspace(center-self.eps, center+self.eps, n+1), linspace(center+self.eps, xmax, 21)) y = self(x) return x, y
[docs]class IndicatorFunction: """ Indicator function $I(x; L, R)$, which is 1 in $[L, R]$, and 0 outside. Two parameters ``eps_L`` and ``eps_R`` can be set to provide smoothing of the left and/or right discontinuity in the indicator function. The indicator function is defined in terms of the Heaviside function (using class :class:`Heaviside`): $I(x; R, L) = H(x-L)H(R-x)$. """
[docs] def __init__(self, interval, eps_L=0, eps_R=0): """ `interval` is a 2-tuple/list defining the interval [L, R] where the indicator function is 1. `eps` is a smoothing parameter: ``eps=0`` gives the standard discontinuous indicator function, while a value different from 0 gives rapid change from 0 to 1 over an interval of length 2*`eps`. """ self.L, self.R = interval self.eps_L, self.eps_R = eps_L, eps_R self.Heaviside_L = Heaviside(eps_L) self.Heaviside_R = Heaviside(eps_R)
[docs] def __call__(self, x): if self.eps_L == 0 and self.eps_R == 0: # Avoid using Heaviside functions since we want 1 # as value for x in [L,R) (important when indicator # functions are added) tol = 1E-10 if isinstance(x, (float, int)): #return 0 if x < self.L or x >= self.R else 1 return 0 if x < self.L or x > self.R else 1 elif isinstance(x, ndarray): r = ones_like(x) r[x < self.L] = 0 #r[x >= self.R] = 0 r[x > self.R] = 0 return r else: return self.Heaviside_L(x - self.L)*self.Heaviside_R(self.R - x)
[docs] def plot(self, xmin=-1, xmax=1): """ Return arrays x, y for plotting IndicatorFunction on [`xmin`, `xmax`]. For the exact discontinuous indicator function, we typically have ``x = [xmin, L, L, R, R, xmax]; y = [0, 0, 1, 1, 0, 0]``, while for the smoothed version, the densities of coordinates in the ``x`` array is computed on basis of the `eps` parameter. """ if xmin > self.L or xmax < self.R: raise ValueError('xmin=%g > L=%g or xmax=%g < R=%g is meaningless for plot' % (xmin, self.L, xmax, self.R)) if self.eps == 0: return [xmin, L, L, R, R, xmax], [0, 0, 1, 1, 0, 0] else: n = 200./self.eps x = concatenate( linspace(xmin, self.L-self.eps, 21), linspace(self.L-self.eps, self.R+self.eps, n+1), linspace(self.R+self.eps, xmax, 21)) y = self(x) return x, y
[docs] def __str__(self): e = 'eps=%g' % self.eps if self.eps else '' return 'I(x)=1 on [%g, %g] %s' % (self.L, self.R, e)
[docs] def __repr__(self): return 'IndicatorFunction([%g, %g], eps=%g)' % \ (self.L, self.R, self.eps)
[docs]class PiecewiseConstant: """ Representation of a piecewise constant function. The discontinuities can be smoothed out. In this latter case the piecewise constant function is represented as a sum of indicator functions (:class:`IndicatorFunction`) times corresponding values. """
[docs] def __init__(self, domain, data, eps=0): self.L, self.R = domain self.data = data self.eps = eps if self.L != self.data[0][0]: raise ValueError('domain starts at %g, while data[0][0]=%g' % \ (self.L, self.data[0][0])) self._boundaries = [x for x, value in data] self._boundaries.append(self.R) self._values = [value for x, value in data] self._boundaries = array(self._boundaries, float) self._values = array(self._values, float) self._indicator_functions = [] # Ensure eps_L=0 at the left and eps_R=0 at the right, # while both are eps at internal boundaries, # i.e., the function is always discontinuous at the start and end for i in range(len(self.data)): if i == 0: eps_L = 0; eps_R = eps # left boundary elif i == len(self.data)-1: eps_R = 0; eps_L = eps # right boundary else: eps_L = eps_R = eps # internal boundary self._indicator_functions.append(IndicatorFunction( [self._boundaries[i], self._boundaries[i+1]], eps_L=eps_L, eps_R=eps_R))
[docs] def __call__(self, x): if self.eps == 0: return self.value(x) else: return sum(value*I(x) \ for I, value in \ zip(self._indicator_functions, self._values))
[docs] def value(self, x): """Alternative implementation to __call__.""" if isinstance(x, (float,int)): return self._values[x >= self._boundaries[:-1]][-1] else: a = array([self._values[xi >= self._boundaries[:-1]][-1] for xi in x]) return a
[docs] def plot(self): if self.eps == 0: x = []; y = [] for I, value in zip(self._indicator_functions, self._values): x.append(I.L) y.append(value) x.append(I.R) y.append(value) return x, y else: n = 200/self.eps if len(self.data) == 1: return [self.L, self.R], [self._values[0], self._values[0]] else: x = [linspace(self.data[0][0], self.data[1][0]-self.eps, 21)] # Iterate over all internal discontinuities for I in self._indicator_functions[1:]: x.append(linspace(I.L-self.eps, I.L+self.eps, n+1)) x.append(linspace(I.L+self.eps, I.R-self.eps, 21)) # Last part x.append(linspace(I.R-self.eps, I.R, 3)) x = concatenate(x) y = self(x) return x, y # the norm_* functions also work for arrays with dimensions larger than 2, # in contrast to (most of) the numpy.linalg.norm functions
[docs]def norm_l2(u): """ Standard l2 norm of a multi-dimensional array u viewed as a vector. """ return linalg.norm(u.ravel())
[docs]def norm_L2(u): """ L2 norm of a multi-dimensional array u viewed as a vector (norm is norm_l2/n, where n is length of u (no of elements)). If u holds function values and the norm of u is supposed to approximate an integral (L2 norm) of the function, this (and not norm_l2) is the right norm function to use. """ return norm_l2(u)/sqrt(float(u.size))
[docs]def norm_l1(u): """ l1 norm of a multi-dimensional array u viewed as a vector: ``linalg.norm(u.ravel(),1)``. """ #return sum(abs(u.ravel())) return linalg.norm(u.ravel(),1)
[docs]def norm_L1(u): """ L1 norm of a multi-dimensional array u viewed as a vector: ``norm_l1(u)/float(u.size)``. If *u* holds function values and the norm of u is supposed to approximate an integral (L1 norm) of the function, this (and not norm_l1) is the right norm function to use. """ return norm_l1(u)/float(u.size)
[docs]def norm_inf(u): """Infinity/max norm of a multi-dimensional array u viewed as a vector.""" #return abs(u.ravel()).max() return linalg.norm(u.ravel(), inf)
[docs]def solve_tridiag_linear_system(A, b): """ Solve an n times n tridiagonal linear system of the form:: A[0,1]*x[0] + A[0,2]*x[1] = 0 A[1,0]*x[0] + A[1,1]*x[1] + A[1,2]*x[2] = 0 ... ... A[k,0]*x[k-1] + A[k,1]*x[k] + A[k,2]*x[k+1] = 0 ... A[n-2,0]*x[n-3] + A[n-2,1]*x[n-2] + A[n-2,2]*x[n-1] = 0 ... A[n-1,0]*x[n-2] + A[n-1,1]*x[n-1] = 0 The diagonal of the coefficent matrix is stored in A[:,1], the subdiagonal is stored in A[1:,0], and the superdiagonal is stored in A[:-1,2]. """ #The storage is not memory friendly in Python/C (diagonals stored #columnwise in A), but if A is sent to F77 for high-performance #computing, a copy is taken and the F77 routine works with the #same algorithm and hence optimal (columnwise traversal) #Fortran storage. c, d = factorize_tridiag_matrix(A) return solve_tridiag_factored_system(b, A, c, d)
[docs]def factorize_tridiag_matrix(A): """ Perform the factorization step only in solving a tridiagonal linear system. See the function solve_tridiag_linear_system for how the matrix *A* is stored. Two arrays, *c* and *d*, are returned, and these represent, together with superdiagonal *A[:-1,2]*, the factorized form of *A*. To solve a system with ``solve_tridiag_factored_system``, *A*, *c*, and *d* must be passed as arguments. """ n = len(b) # scratch arrays: d = zeros(n, 'd'); c = zeros(n, 'd'); m = zeros(n, 'd') d[0] = A[0,1] c[0] = b[0] for k in iseq(start=1, stop=n-1, inc=1): m[k] = A[k,0]/d[k-1] d[k] = A[k,1] - m[k]*A[k-1,2] c[k] = b[k] - m[k]*c[k-1] return c, d
[docs]def solve_tridiag_factored_system(b, A, c, d): """ The backsubsitution part of solving a tridiagonal linear system. The right-hand side is b, while *A*, *c*, and *d* represent the factored matrix (see the factorize_tridiag_matrix function). The solution x to A*x=b is returned. """ n = len(b) x = zeros(n, 'd') # solution # back substitution: x[n-1] = c[n-1]/d[n-1] for k in iseq(start=n-2, stop=0, inc=-1): x[k] = (c[k] - A[k,2]*x[k+1])/d[k] return x
try: import Pmw class NumPy2BltVector(Pmw.Blt.Vector): """ Copy a numpy array to a BLT vector: # a: some numpy array b = NumPy2BltVector(a) # b is BLT vector g = Pmw.Blt.Graph(someframe) # send b to g for plotting """ def __init__(self, array): Pmw.Blt.Vector.__init__(self, len(array)) self.set(tuple(array)) # copy elements except:
[docs] class NumPy2BltVector:
[docs] def __init__(self, array): raise ImportError("Python is not working properly with BLT")
try: from scitools.StringFunction import StringFunction except: pass # wrap2callable may not work class WrapNo2Callable: """Turn a number (constant) into a callable function.""" def __init__(self, constant): self.constant = constant self._array_shape = None def __call__(self, *args): """ >>> w = WrapNo2Callable(4.4) >>> w(99) 4.4000000000000004 >>> # try vectorized computations: >>> x = linspace(1, 4, 4) >>> y = linspace(1, 2, 2) >>> xv = x[:,NewAxis]; yv = y[NewAxis,:] >>> xv + yv array([[ 2., 3.], [ 3., 4.], [ 4., 5.], [ 5., 6.]]) >>> w(xv, yv) array([[ 4.4, 4.4], [ 4.4, 4.4], [ 4.4, 4.4], [ 4.4, 4.4]]) If you want to call such a function object with space-time arguments and vectorized expressions, make sure the time argument is not the first argument. That is, w(xv, yv, t) is fine, but w(t, xv, yv) will return 4.4, not the desired array! """ if isinstance(args[0], (float, int, complex)): # scalar version: # (operator.isNumberType(args[0]) cannot be used as it is # true also for numpy arrays return self.constant else: # assume numpy array if self._array_shape is None: self._set_array_shape() else: r = self.constant*ones(self._array_shape, 'd') # could store r (allocated once) and just return reference return r def _set_array_shape(self, arg): # vectorized version: r = arg.copy() # to get right dimension of the return array, # compute with args in a simple formula (sum of args) for a in args[1:]: r = r + a # in-place r+= won't work # (handles x,y,t - the last t just adds a constant) # an argument sequence t, x, y will fail (1st arg # is not a numpy array) self._array_shape = r.shape # The problem with this class is that, in the vectorized version, # the array shape is determined in the first call, i.e., later # calls may return an array with the wrong shape if the shape of # the input arguments change! Sometimes, when called along boundaries # of grids, the shape may change so the next implementation is # slower and safer.
[docs]class WrapNo2Callable: """Turn a number (constant) into a callable function."""
[docs] def __init__(self, constant): self.constant = constant
[docs] def __call__(self, *args): """ >>> w = WrapNo2Callable(4.4) >>> w(99) 4.4000000000000004 >>> # try vectorized computations: >>> x = linspace(1, 4, 4) >>> y = linspace(1, 2, 2) >>> xv = x[:,NewAxis]; yv = y[NewAxis,:] >>> xv + yv array([[ 2., 3.], [ 3., 4.], [ 4., 5.], [ 5., 6.]]) >>> w(xv, yv) array([[ 4.4, 4.4], [ 4.4, 4.4], [ 4.4, 4.4], [ 4.4, 4.4]]) If you want to call such a function object with space-time arguments and vectorized expressions, make sure the time argument is not the first argument. That is, w(xv, yv, t) is fine, but w(t, xv, yv) will return 4.4, not the desired array! """ if isinstance(args[0], (float, int, complex)): # scalar version: return self.constant else: # vectorized version: r = args[0].copy() # to get right dimension of the return array, # compute with args in a simple formula (sum of args) for a in args[1:]: r = r + a # in-place r+= won't work # (handles x,y,t - the last t just adds a constant) r[:] = self.constant return r
[docs]class WrapDiscreteData2Callable: """ Turn discrete data on a uniform grid into a callable function, i.e., equip the data with an interpolation function. >>> x = linspace(0, 1, 11) >>> y = 1+2*x >>> f = WrapDiscreteData2Callable((x,y)) >>> # or just use the wrap2callable generic function: >>> f = wrap2callable((x,y)) >>> f(0.5) # evaluate f(x) by interpolation 1.5 >>> f(0.5, 0.1) # discrete data with extra time prm: f(x,t) 1.5 """
[docs] def __init__(self, data): self.data = data # (x,y,f) data for an f(x,y) function from scitools.misc import import_module InterpolatingFunction = import_module( 'Scientific.Functions.Interpolation', 'InterpolatingFunction') import Scientific v = Scientific.__version__ target = '2.9.1' if v < target: raise ImportError( 'ScientificPython is in (old) version %s, need %s' \ % (v, target)) self.interpolating_function = \ InterpolatingFunction(self.data[:-1], self.data[-1]) self.ndims = len(self.data[:-1]) # no of spatial dim.
[docs] def __call__(self, *args): # allow more arguments (typically time) after spatial pos.: args = args[:self.ndims] # args can be tuple of scalars (point) or tuple of vectors if isinstance(args[0], (float, int, complex)): return self.interpolating_function(*args) else: # args is tuple of vectors; Interpolation must work # with one point at a time: r = [self.interpolating_function(*a) for a in zip(*args)] return array(r) # wrap in numpy array
[docs]def wrap2callable(f, **kwargs): """ Allow constants, string formulas, discrete data points, user-defined functions and (callable) classes to be wrapped in a new callable function. That is, all the mentioned data structures can be used as a function, usually of space and/or time. (kwargs is used for string formulas) >>> f1 = wrap2callable(2.0) >>> f1(0.5) 2.0 >>> f2 = wrap2callable('1+2*x') >>> f2(0.5) 2.0 >>> f3 = wrap2callable('1+2*t', independent_variable='t') >>> f3(0.5) 2.0 >>> f4 = wrap2callable('a+b*t') >>> f4(0.5) Traceback (most recent call last): ... NameError: name 'a' is not defined >>> f4 = wrap2callable('a+b*t', independent_variable='t', a=1, b=2) >>> f4(0.5) 2.0 >>> x = linspace(0, 1, 3); y=1+2*x >>> f5 = wrap2callable((x,y)) >>> f5(0.5) 2.0 >>> def myfunc(x): return 1+2*x >>> f6 = wrap2callable(myfunc) >>> f6(0.5) 2.0 >>> f7 = wrap2callable(lambda x: 1+2*x) >>> f7(0.5) 2.0 >>> class MyClass: 'Representation of a function f(x; a, b) =a + b*x' def __init__(self, a=1, b=1): self.a = a; self.b = b def __call__(self, x): return self.a + self.b*x >>> myclass = MyClass(a=1, b=2) >>> f8 = wrap2callable(myclass) >>> f8(0.5) 2.0 >>> # 3D functions: >>> f9 = wrap2callable('1+2*x+3*y+4*z', independent_variables=('x','y','z')) >>> f9(0.5,1/3.,0.25) 4.0 >>> # discrete 3D data: >>> y = linspace(0, 1, 3); z = linspace(-1, 0.5, 16) >>> xv = reshape(x, (len(x),1,1)) >>> yv = reshape(y, (1,len(y),1)) >>> zv = reshape(z, (1,1,len(z))) >>> def myfunc3(x,y,z): return 1+2*x+3*y+4*z >>> values = myfunc3(xv, yv, zv) >>> f10 = wrap2callable((x, y, z, values)) >>> f10(0.5, 1/3., 0.25) 4.0 One can also check what the object is wrapped as and do more specific operations, e.g., >>> f9.__class__.__name__ 'StringFunction' >>> str(f9) # look at function formula '1+2*x+3*y+4*z' >>> f8.__class__.__name__ 'MyClass' >>> f8.a, f8.b # access MyClass-specific data (1, 2) Troubleshooting regarding string functions: If you use a string formula with a numpy array, you typically get error messages like:: TypeError: only rank-0 arrays can be converted to Python scalars. You must then make the right import (numpy is recommended):: from Numeric/numarray/numpy/scitools.numpytools import * in the calling code and supply the keyword argument:: globals=globals() to wrap2callable. See also the documentation of class StringFunction for more information. """ if isinstance(f, str): return StringFunction(f, **kwargs) # this is a considerable optimization (up to a factor of 3), # but then the additional info in the StringFunction instance # is lost in the calling code: # return StringFunction(f, **kwargs).__call__ elif isinstance(f, (float, int, complex)): return WrapNo2Callable(f) elif isinstance(f, (list,tuple)): return WrapDiscreteData2Callable(f) elif callable(f): return f else: raise TypeError('f of type %s is not callable' % type(f)) # problem: setitem in ArrayGen does not support multiple indices # relying on inherited __setitem__ works fine
[docs]def NumPy_array_iterator(a, **kwargs): """ Iterate over all elements in a numpy array a. Two return values: a generator function and the code of this function. The ``numpy.ndenumerate`` iterator performs the same iteration over an array, but ``NumPy_array_iterator`` has some additional features (especially handy for coding finite difference stencils, see next paragraph). The keyword arguments specify offsets in the start and stop value of the index in each dimension. Legal argument names are ``offset0_start``, ``offset0_stop``, ``offset1_start``, ``offset1_stop``, etc. Also ``offset_start`` and ``offset_stop`` are legal keyword arguments, these imply the same offset value for all dimensions. Another keyword argument is ``no_value``, which can be True or False. If the value is True, the iterator returns the indices as a tuple, otherwise (default) the iterator returns a two-tuple consisting of the value of the array and the corresponding indices (as a tuple). Examples:: >>> q = linspace(1, 2*3*4, 2*3*4); q.shape = (2,3,4) >>> it, code = NumPy_array_iterator(q) >>> print code # generator function with 3 nested loops: def nested_loops(a): for i0 in xrange(0, a.shape[0]-0): for i1 in xrange(0, a.shape[1]-0): for i2 in xrange(0, a.shape[2]-0): yield a[i0, i1, i2], (i0, i1, i2) >>> type(it) <type 'function'> >>> for value, index in it(q): ... print 'a%s = %g' % (index, value) ... a(0, 0, 0) = 1 a(0, 0, 1) = 2 a(0, 0, 2) = 3 a(0, 0, 3) = 4 a(0, 1, 0) = 5 a(0, 1, 1) = 6 a(0, 1, 2) = 7 a(0, 1, 3) = 8 a(0, 2, 0) = 9 a(0, 2, 1) = 10 a(0, 2, 2) = 11 a(0, 2, 3) = 12 a(1, 0, 0) = 13 a(1, 0, 1) = 14 a(1, 0, 2) = 15 a(1, 0, 3) = 16 a(1, 1, 0) = 17 a(1, 1, 1) = 18 a(1, 1, 2) = 19 a(1, 1, 3) = 20 a(1, 2, 0) = 21 a(1, 2, 1) = 22 a(1, 2, 2) = 23 a(1, 2, 3) = 24 Here is the version where only the indices and no the values are returned by the iterator:: >>> q = linspace(1, 1*3, 3); q.shape = (1,3) >>> it, code = NumPy_array_iterator(q, no_value=True) >>> print code def nested_loops(a): for i0 in xrange(0, a.shape[0]-0): for i1 in xrange(0, a.shape[1]-0): yield i0, i1 >>> for i,j in it(q): ... print i,j 0 0 0 1 0 2 Now let us try some offsets:: >>> it, code = NumPy_array_iterator(q, offset1_stop=1, offset_start=1) >>> print code def nested_loops(a): for i0 in xrange(1, a.shape[0]-0): for i1 in xrange(1, a.shape[1]-1): for i2 in xrange(1, a.shape[2]-0): yield a[i0, i1, i2], (i0, i1, i2) >>> # note: the offsets appear in the xrange arguments >>> for value, index in it(q): ... print 'a%s = %g' % (index, value) ... a(1, 1, 1) = 18 a(1, 1, 2) = 19 a(1, 1, 3) = 20 """ # build the code of the generator function in a text string # (since the number of nested loops needed to iterate over all # elements are parameterized through len(a.shape)) dims = range(len(a.shape)) offset_code1 = ['offset%d_start=0' % d for d in dims] offset_code2 = ['offset%d_stop=0' % d for d in dims] for d in range(len(a.shape)): key1 = 'offset%d_start' % d key2 = 'offset%d_stop' % d if key1 in kwargs: offset_code1.append(key1 + '=' + str(kwargs[key1])) if key2 in kwargs: offset_code2.append(key2 + '=' + str(kwargs[key2])) for key in kwargs: if key == 'offset_start': offset_code1.extend(['offset%d_start=%d' % (d, kwargs[key]) \ for d in range(len(a.shape))]) if key == 'offset_stop': offset_code2.extend(['offset%d_stop=%d' % (d, kwargs[key]) \ for d in range(len(a.shape))]) no_value = kwargs.get('no_value', False) for line in offset_code1: exec line for line in offset_code2: exec line code = 'def nested_loops(a):\n' indentation = ' '*4 indent = '' + indentation for dim in range(len(a.shape)): code += indent + \ 'for i%d in xrange(%d, a.shape[%d]-%d):\n' \ % (dim, eval('offset%d_start' % dim), dim, eval('offset%d_stop' % dim)) indent += indentation index = ', '.join(['i%d' % d for d in range(len(a.shape))]) if no_value: code += indent + 'yield ' + index else: code += indent + 'yield ' + 'a[%s]' % index + ', (' + index + ')' exec code return nested_loops, code
[docs]def compute_histogram(samples, nbins=50, piecewise_constant=True): """ Given a numpy array samples with random samples, this function returns the (x,y) arrays in a plot-ready version of the histogram. If piecewise_constant is True, the (x,y) arrays gives a piecewise constant curve when plotted, otherwise the (x,y) arrays gives a piecewise linear curve where the x coordinates coincide with the center points in each bin. The function makes use of numpy.lib.function_base.histogram with some additional code (for a piecewise curve or displaced x values to the centes of the bins). """ import sys if 'numpy' in sys.modules: y0, bin_edges = histogram(samples, bins=nbins, normed=True) h = bin_edges[1] - bin_edges[0] # bin width if piecewise_constant: x = zeros(2*len(bin_edges), type(bin_edges[0])) y = x.copy() x[0] = bin_edges[0] y[0] = 0 for i in range(len(bin_edges)-1): x[2*i+1] = bin_edges[i] x[2*i+2] = bin_edges[i+1] y[2*i+1] = y0[i] y[2*i+2] = y0[i] x[-1] = bin_edges[-1] y[-1] = 0 else: x = zeros(len(bin_edges)-1, type(bin_edges[0])) y = y0.copy() for i in range(len(x)): x[i] = (bin_edges[i] + bin_edges[i+1])/2.0 return x, y
[docs]def factorial(n, method='reduce'): """ Compute the factorial n! using long integers (and pure Python code). Different implementations are available (see source code for implementation details). Note: The math module in Python 2.6 features a factorial function, making the present function redundant (except that the various pure Python implementations can be of interest for comparison). Here is an efficiency comparison of the methods (computing 80!): ========================== ===================== Method Normalized CPU time ========================== ===================== reduce 1.00 lambda list comprehension 1.70 lambda functional 3.08 plain recursive 5.83 lambda recursive 21.73 scipy 131.18 ========================== ===================== """ if not isinstance(n, (int, long, float)): raise TypeError('factorial(n): n must be integer not %s' % type(n)) n = long(n) if n == 0 or n == 1: return 1 if method == 'plain iterative': f = 1 for i in range(1, n+1): f *= i return f elif method == 'plain recursive': if n == 1: return 1 else: return n*factorial(n-1, method) elif method == 'lambda recursive': fc = lambda n: n and fc(n-1)*long(n) or 1 return fc(n) elif method == 'lambda functional': fc = lambda n: n<=0 or \ reduce(lambda a,b: long(a)*long(b), xrange(1,n+1)) return fc(n) elif method == 'lambda list comprehension': fc = lambda n: [j for j in [1] for i in range(2,n+1) \ for j in [j*i]] [-1] return fc(n) elif method == 'reduce': return reduce(operator.mul, xrange(2, n+1)) elif method == 'scipy': try: import scipy.misc.common as sc return sc.factorial(n) except ImportError: print 'numpyutils.factorial: scipy is not available' print 'default method="reduce" is used instead' return reduce(operator.mul, xrange(2, n+1)) # or return factorial(n) else: raise ValueError('factorial: method="%s" is not supported' % method)
[docs]def asarray_cpwarn(a, dtype=None, message='warning', comment=''): """ As asarray, but a warning or exception is issued if the a array is copied. """ a_new = asarray(a, dtype) # must drop numpy's order argument since it conflicts # with Numeric's savespace # did we copy? if a_new is not a: # we do not return the identical array, i.e., copy has taken place msg = '%s copy of array %s, from %s to %s' % \ (comment, a.shape, type(a), type(a_new)) if message == 'warning': print 'Warning: %s' % msg elif message == 'exception': raise TypeError(msg) return a_new
[docs]def seq(min=0.0, max=None, inc=1.0, type=float, return_type='NumPyArray'): """ Generate numbers from min to (and including!) max, with increment of inc. Safe alternative to arange. The return_type string governs the type of the returned sequence of numbers ('NumPyArray', 'list', or 'tuple'). """ if max is None: # allow sequence(3) to be 0., 1., 2., 3. # take 1st arg as max, min as 0, and inc=1 max = min; min = 0.0; inc = 1.0 r = arange(min, max + inc/2.0, inc, type) if return_type == 'NumPyArray' or return_type == ndarray: return r elif return_type == 'list': return r.tolist() elif return_type == 'tuple': return tuple(r.tolist())
[docs]def iseq(start=0, stop=None, inc=1): """ Generate integers from start to (and including) stop, with increment of inc. Alternative to range/xrange. """ if stop is None: # allow isequence(3) to be 0, 1, 2, 3 # take 1st arg as stop, start as 0, and inc=1 stop = start; start = 0; inc = 1 return xrange(start, stop+inc, inc)
sequence = seq # backward compatibility isequence = iseq # backward compatibility
[docs]def arr(shape=None, element_type=float, interval=None, data=None, copy=True, file_=None, order='C'): """ Compact and flexible interface for creating numpy arrays, including several consistency and error checks. - *shape*: length of each dimension, tuple or int - *data*: list, tuple, or numpy array with data elements - *copy*: copy data if true, share data if false, boolean - *element_type*: float, int, int16, float64, bool, etc. - *interval*: make elements from a to b (shape gives no of elms), tuple or list - *file_*: filename or file object containing array data, string - *order*: 'Fortran' or 'C' storage, string - return value: created Numerical Python array The array can be created in four ways: 1. as zeros (just shape specified), 2. as uniformly spaced coordinates in an interval [a,b] 3. as a copy of or reference to (depending on copy=True,False resp.) a list, tuple, or numpy array (provided as the data argument), 4. from data in a file (for one- or two-dimensional real-valued arrays). The function calls the underlying numpy functions zeros, array and linspace (see the numpy manual for the functionality of these functions). In case of data in a file, the first line determines the number of columns in the array. The file format is just rows and columns with numbers, no decorations (square brackets, commas, etc.) are allowed. >>> arr((3,4)) array([[ 0., 0., 0., 0.], [ 0., 0., 0., 0.], [ 0., 0., 0., 0.]]) >>> arr(4, element_type=int) + 4 # integer array array([4, 4, 4, 4]) >>> arr(3, interval=[0,2]) array([ 0., 1., 2.]) >>> somelist=[[0,1],[5,5]] >>> a = arr(data=somelist) >>> a # a has always float elements by default array([[ 0., 1.], [ 5., 5.]]) >>> a = arr(data=somelist, element_type=int) >>> a array([[0, 1], [5, 5]]) >>> b = a + 1 >>> c = arr(data=b, copy=False) # let c share data with b >>> b is c True >>> id(b) == id(c) True >>> # make a file with array data: >>> f = open('tmp.dat', 'w') >>> f.write('''\ ... 1 3 ... 2 6 ... 3 12 ... 3.5 20 ... ''') >>> f.close() >>> # read array data from file: >>> a = arr(file_='tmp.dat') >>> a array([[ 1. , 3. ], [ 2. , 6. ], [ 3. , 12. ], [ 3.5, 20. ]]) """ if data is None and file_ is None and shape is None: return None if data is not None: if not operator.isSequenceType(data): raise TypeError('arr: data argument is not a sequence type') if isinstance(shape, (list,tuple)): # check that shape and data are compatible: if reduce(operator.mul, shape) != size(data): raise ValueError( 'arr: shape=%s is not compatible with %d '\ 'elements in the provided data' % (shape, size(data))) elif isinstance(shape, int): if shape != size(data): raise ValueError( 'arr: shape=%d is not compatible with %d '\ 'elements in the provided data' % (shape, size(data))) elif shape is None: if isinstance(data, (list,tuple)) and copy == False: # cannot share data (data is list/tuple) copy = True return array(data, dtype=element_type, copy=copy, order=order) else: raise TypeError( 'shape is %s, must be list/tuple or int' % type(shape)) elif file_ is not None: if not isinstance(file_, (basestring, file, StringIO)): raise TypeError( 'file_ argument must be a string (filename) or '\ 'open file object, not %s' % type(file_)) if isinstance(file_, basestring): file_ = open(file_, 'r') # skip blank lines: while True: line1 = file_.readline().strip() if line1 != '': break ncolumns = len(line1.split()) file_.seek(0) # we assume that array data in file has element_type=float: if not (element_type == float or element_type == 'd'): raise ValueError('element_type must be float_/"%s", not "%s"' % \ ('d', element_type)) d = array([float(word) for word in file_.read().split()]) if isinstance(file_, basestring): f.close() # shape array d: if ncolumns > 1: suggested_shape = (int(len(d)/ncolumns), ncolumns) total_size = suggested_shape[0]*suggested_shape[1] if total_size != len(d): raise ValueError( 'found %d array entries in file "%s", but first line\n'\ 'contains %d elements - no shape is compatible with\n'\ 'these values' % (len(d), file, ncolumns)) d.shape = suggested_shape if shape is not None: if shape != d.shape: raise ValueError( 'shape=%s is not compatible with shape %s found in "%s"' % \ (shape, d.shape, file)) return d elif interval is not None and shape is not None: if not isinstance(shape, int): raise TypeError('For array values in an interval, '\ 'shape must be an integer') if not isinstance(interval, (list,tuple)): raise TypeError('interval must be list or tuple, not %s' % \ type(interval)) if len(interval) != 2: raise ValueError('interval must be a 2-tuple (or list)') try: return linspace(interval[0], interval[1], shape) except MemoryError, e: # print more information (size of data): print e, 'of size %s' % shape else: # no data, no file, just make zeros if not isinstance(shape, (tuple, int, list)): raise TypeError('arr: shape (1st arg) must be tuple or int') if shape is None: raise ValueError( 'arr: either shape, data, or from_function must be specified') try: return zeros(shape, dtype=element_type, order=order) except MemoryError, e: # print more information (size of data): print e, 'of size %s' % shape
def _test(): _test_FloatComparison() # test norm functions for multi-dimensional arrays: a = array(range(27)) a.shape = (3,3,3) functions = [norm_l2, norm_L2, norm_l1, norm_L1, norm_inf] results = [78.7464284904401239, 15.1547572288924073, 351, 13, 26] for f, r in zip(functions, results): if not float_eq(f(a), r): print '%s failed: result=%g, not %g' % (f.__name__, f(a), r) # Gram-Schmidt: A = array([[1,2,3], [3,4,5], [6,4,1]], float) V1 = Gram_Schmidt(A, normalize=True) V2 = Gram_Schmidt1(A) if not float_eq(V1, V2): print 'The two Gram_Schmidt versions did not give equal results' print 'Gram_Schmidt:\n', V1 print 'Gram_Schmidt1:\n', V2 # Null space: K = array([[1,2,3], [1,2,3], [0,0,0], [-1, -2, -3]], float) #K = random.random(3*7).reshape(7,3) # does not work... print 'K=\n', K print 'null(K)=\n', null(K) r = K*null(K) print 'K*null(K):', r if __name__ == '__main__': from numpy import * _test() #---- build doc string from _numpyload/util doc strings ---- import _numpyload as _load _load.__doc__ += """ Example on what gets imported ----------------------------- (basic_NumPy holds the name of the Numeric Python module after import of numpytools (or _numpyload): # default: unix/DOS> python -c "from numpytools import *; print basic_NumPy" numpy # set the NUMPYARRAY environment variable: unix/DOS> python -c "import os; os.environ['NUMPYARRAY']='Numeric'; from numpytools import *; print basic_NumPy" Numeric # import a Numerical Python module (precedence over NUMPYARRAY variable): unix/DOS> python -c "import numpy; import os; os.environ['NUMPYARRAY']='Numeric'; from numpytools import *; print basic_NumPy" numpy # add flag on the command line (precedence over import): unix/DOS> python -c "import numpy; import os; os.environ['NUMPYARRAY']='Numeric'; from numpytools import *; print basic_NumPy" --numarray numarray """ import numpyutils as _utils # insert numpyutils and _numpyload documentation into the # doc string of this numpytools module: __doc__ = __doc__ % (_load.__doc__, _utils.__doc__) # clean up: # import numpyutils may import numpy and we remove this entry # in sys.modules if basic_NumPy != 'numpy': if 'numpy' in sys.modules: del sys.modules['numpy'] del _load, _utils #--------- if __name__ == '__main__': def _doctest(): import doctest, numpytools return doctest.testmod(numpytools) def verify(N, namecheck = ['fft','mlab','ma','ra','la']): """ Verify that some packages imported by numpytools works for Numeric, numarray, or numpy. """ print "\nUsing %s in %s" % (N.basic_NumPy, N.__name__) for name in namecheck: if hasattr(N, name): print "%s.%s : %s " % ( N.__name__, name, eval("N.%s.__name__" % name)) print "" def _test1(): """Call verify function for N as Numeric, numarray, and numpy.""" sys.argv.append('--Numeric') import numpytools as N verify(N) sys.argv[-1] = '--numarray' reload(N) verify(N) sys.argv[-1] = '--numpy' reload(N) verify(N) #_test1() #test_ArrayGen() #_doctest() # does not work properly with wrap2callable # Test meshgrid function import unittest import numpytools as N class numpytoolsTest(unittest.TestCase): def setUp(self): pass def testMeshgrid(self): #print 'testing Meshgrid' x = N.arange(10) y = N.arange(4) z = N.arange(3) X, Y, Z = N.meshgrid(x, y, z, sparse=False) assert N.rank(X) == 3 def testMeshgrid_DenseFromMixedArrayTypes(self): # Other combination of arrays #print 'testing Meshgrid with mixed array implementations' y = N.arange(4) z = N.arange(3) import Numeric x = Numeric.arange(10) X, Y, Z = N.meshgrid(x, y, z, sparse=False) if not N.rank(X) == 3: raise AssertionError( "Meshgrid failed with arraytype mix of Numeric and %s"\ %N.basic_NumPy) import numarray x = numarray.arange(10) X, Y, Z = N.meshgrid(x, y, z, sparse=False) if not N.rank(X) == 3: raise AssertionError( "Meshgrid failed with arraytype mix of numarray and %s"\ %N.basic_NumPy) import numpy x = numpy.arange(10) X, Y, Z = N.meshgrid(x, y, z, sparse=False) #assert N.rank(X) == 3 if not N.rank(X) == 3: raise AssertionError( "Meshgrid failed with arraytype mix of numpy and %s"\ %N.basic_NumPy) def testMeshGrid_DenseFromNodenseMeshgridOutput(self): # sparse fails for dense output when input has singleton dimensions x = seq(-2,2,0.1) y = seq(-4,4,1) xx, yy = meshgrid(x,y) # xx and yy now has singleton dimension self.assertEqual(rank(xx), 2) self.assertEqual(rank(yy), 2) self.assertEqual(multiply.reduce(xx.shape), size(xx)) self.assertEqual(multiply.reduce(yy.shape), size(yy)) # This one should fail when xx and yy is not flat as well xx, yy = meshgrid(xx.flat, yy.flat, sparse=False) # no singleton self.assertEqual(shape(xx), (size(y), size(x))) self.assertEqual(shape(yy), (size(y), size(x))) xx, yy = meshgrid(x,y) # Add singleton dimensions xx, yy = meshgrid(xx, yy, sparse=False) self.assertEqual(shape(xx), (size(y), size(x))) self.assertEqual(shape(yy), (size(y), size(x))) #from IPython.Shell import IPythonShellEmbed as magic #magic()('from unittest') sys.argv.append('') # extra argument for the test below for arg in ['--Numeric', '--numarray', '--numpy']: try: __import__(arg[2:]) except: print "You don't have %s installed" %arg[2:] continue sys.argv[-1] = arg print '\nNow testing with system arg %10s\n%s' %(arg, '='*38) print N, dir(N) reload(N); verify(N) suite = unittest.makeSuite(numpytoolsTest) unittest.TextTestRunner(verbosity=2).run(suite)