Module P_cif

Obtain first float from a string and ignore any trailing characters.
Useful for extracting values from "value(std)" syntax.

Return float.

Create SpaceGroups.SymOp instance from a string.

s   -- formula for equivalent coordinates, for example 'x,1/2-y,1/2+z'

Return instance of SymOp.

Convert Windows-style path to valid local URL.
CifFile loads files using urlopen, which fails for Windows-style paths.

filename -- path to be fixed

Return fixed URL when run on Windows, otherwise return filename.

rx_float

Value:

re.compile(r'\s*[-\+]?(\d+(\.\d*)?|\.\d+)([eE][-\+]?\d+)?')

symvec

Value:

{'+x': array([ 1., 0., 0.]), '+y': array([ 0., 1., 0.]), '+z': array([ 0., 0., 1.]), '-x': array([-1., 0., 0.]), '-y': array([ 0., -1., 0.]), '-z': array([ 0., 0., -1.]), 'x': array([ 1., 0., 0.]), 'y': array([ 0., 1., 0.]), ...