Package diffpy :: Package Structure :: Module atom :: Class CartesianCoordinatesArray

Class CartesianCoordinatesArray

   object --+    
            |    
numpy.ndarray --+
                |
               CartesianCoordinatesArray

Helper array for accessing Cartesian coordinates.
Converts and updates related array of corresponding fractional
coordinates.

Data members:
    lattice -- instance of Lattice defining fractional coordinates
    xyz     -- instance of numpy.array storing fractional coordinates

Instance Methods

[hide private]

__init__(self, lattice, xyz)
x.__init__(...) initializes x; see x.__class__.__doc__ for signature

source code

__setitem__(self, idx, value)
Set idx-th coordinate and update linked self.xyz...

source code

Inherited from numpy.ndarray: __abs__, __add__, __and__, __array__, __array_wrap__, __contains__, __copy__, __deepcopy__, __delitem__, __delslice__, __div__, __divmod__, __eq__, __float__, __floordiv__, __ge__, __getitem__, __getslice__, __gt__, __hex__, __iadd__, __iand__, __idiv__, __ifloordiv__, __ilshift__, __imod__, __imul__, __index__, __int__, __invert__, __ior__, __ipow__, __irshift__, __isub__, __iter__, __itruediv__, __ixor__, __le__, __len__, __long__, __lshift__, __lt__, __mod__, __mul__, __ne__, __neg__, __nonzero__, __oct__, __or__, __pos__, __pow__, __radd__, __rand__, __rdiv__, __rdivmod__, __reduce__, __repr__, __rfloordiv__, __rlshift__, __rmod__, __rmul__, __ror__, __rpow__, __rrshift__, __rshift__, __rsub__, __rtruediv__, __rxor__, __setslice__, __setstate__, __str__, __sub__, __truediv__, __xor__, all, any, argmax, argmin, argsort, astype, byteswap, choose, clip, compress, conj, conjugate, copy, cumprod, cumsum, diagonal, dump, dumps, fill, flatten, getfield, item, itemset, max, mean, min, newbyteorder, nonzero, prod, ptp, put, ravel, repeat, reshape, resize, round, searchsorted, setfield, setflags, sort, squeeze, std, sum, swapaxes, take, tofile, tolist, tostring, trace, transpose, var, view

Inherited from object: __delattr__, __getattribute__, __hash__, __reduce_ex__, __setattr__

Static Methods

[hide private]

__new__(self, lattice, xyz)

source code

Properties

[hide private]

Inherited from numpy.ndarray: T, __array_finalize__, __array_interface__, __array_priority__, __array_struct__, base, ctypes, data, dtype, flags, flat, imag, itemsize, nbytes, ndim, real, shape, size, strides

Inherited from object: __class__

Method Details

[hide private]

new(self, lattice, xyz)
Static Method

source code

Returns:

a new object with type S, a subtype of T

Overrides: numpy.ndarray.__new__

(inherited documentation)

init(self, lattice, xyz)
(Constructor)

source code

x.__init__(...) initializes x; see x.__class__.__doc__ for signature

Overrides: object.__init__: (inherited documentation)

setitem(self, idx, value)
(Index assignment operator)

source code

Set idx-th coordinate and update linked self.xyz

idx     -- index in xyz array
value   -- new value of x, y or z

Overrides: numpy.ndarray.__setitem__

Class CartesianCoordinatesArray

__new__(self, lattice, xyz) Static Method

__init__(self, lattice, xyz) (Constructor)

__setitem__(self, idx, value) (Index assignment operator)

new(self, lattice, xyz)
Static Method

init(self, lattice, xyz)
(Constructor)

setitem(self, idx, value)
(Index assignment operator)