cry (version 0.5.2)

full_symm_strings: Symmetry operations in human readable form

Description

This function returns the full set of symmetry operations in human-readable form, each one as a character string starting with 'SYMM'. These are the common crystallographic symmetry operations.

Usage

full_symm_strings(SG)

Value

Symm_string A character vector whose components are strings starting by 'SYMM' and containing the symmetry operations of the given group in human-readable form.

Arguments

SG

A character string. The extended Hermann-Mauguin symbol (e.g. 'P 1 1 21')

Examples

# P1 has only one symmetry operation
SG <- "P 1"
symm_string <- full_symm_strings(SG)
print(symm_string)

# P 21 21 21 is has many more operations
SG <- "P 21 21 21"
symm_string <- full_symm_strings(SG)
print(symm_string)