Symmetry operations in human readable form

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)

Arguments

SG

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

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.

Examples

# P1 has only one symmetry operation
SG <- "P 1"
symm_string <- full_symm_strings(SG)
print(symm_string)
#> [1] "SYMM X,  Y,  Z                                                                  "

# P 21 21 21 is has many more operations
SG <- "P 21 21 21"
symm_string <- full_symm_strings(SG)
print(symm_string)
#> [1] "SYMM X,  Y,  Z                                                                  "
#> [2] "SYMM -X+1/2,  -Y,  Z+1/2                                                        "
#> [3] "SYMM X+1/2,  -Y+1/2,  -Z                                                        "
#> [4] "SYMM -X,  Y+1/2,  -Z+1/2                                                        "