pymatgen.util.string module

This module provides utility classes for string operations.

class StringColorizer(stream)

Bases: object

colours = {'default': '', 'blue': '\x1b[01;34m', 'cyan': '\x1b[01;36m', 'green': '\x1b[01;32m', 'red': '\x1b[01;31m'}

formula_double_format(afloat, ignore_ones=True, tol=1e-08)

This function is used to make pretty formulas by formatting the amounts. Instead of Li1.0 Fe1.0 P1.0 O4.0, you get LiFePO4.

Parameters:

• afloat (float) – a float
• ignore_ones (bool) – if true, floats of 1 are ignored.
• tol (float) – Tolerance to round to nearest int. i.e. 2.0000000001 -> 2

Returns:

A string representation of the float for formulas.

latexify(formula)

Generates a latex formatted formula. E.g., Fe2O3 is transformed to Fe$_{2}$O$_{3}$.

Parameters:formula (str) – Input formula. Returns:Formula suitable for display as in LaTeX with proper subscripts.

latexify_spacegroup(spacegroup_symbol)

Generates a latex formatted spacegroup. E.g., P2_1/c is converted to P2$_{1}$/c and P-1 is converted to P$overline{1}$.

Parameters:spacegroup_symbol (str) – A spacegroup symbol Returns:A latex formatted spacegroup with proper subscripts and overlines.

str_delimited(results, header=None, delimiter='\t')

Given a tuple of tuples, generate a delimited string form. >>> results = [[“a”,”b”,”c”],[“d”,”e”,”f”],[1,2,3]] >>> print(str_delimited(results,delimiter=”,”)) a,b,c d,e,f 1,2,3

Parameters:

• result – 2d sequence of arbitrary types.
• header – optional header

Returns:

Aligned string output in a table-like format.

stream_has_colours(stream)

True if stream supports colours. Python cookbook, #475186

transformation_to_string(matrix, translation_vec=(0, 0, 0), components=('x', 'y', 'z'), c='', delim=', ')

Convenience method. Given matrix returns string, e.g. x+2y+1/4 :param matrix :param translation_vec :param components: either (‘x’, ‘y’, ‘z’) or (‘a’, ‘b’, ‘c’) :param c: optional additional character to print (used for magmoms) :param delim: delimiter :return: xyz string