findHM: Correct spelling for Herman-Mauguin space groups symbols

Description Usage Arguments Value Examples

View source: R/symmetry.R

Description

The commonly-used spelling of a crystallographic space group does not match the correct definition given by the Herman-Mauguin symbols which define all space groups in a unique and precise way. This function attempt to translate a tentative string into a possible Herman-Mauguin symbol, if it finds one. If the input string is already in the extended Herman-Mauguin form, the same string is returned as output.

Usage

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findHM(sym_xHM)

Arguments

sym_xHM

A character string. The space group symbol in its commonly-used spelling.

Value

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

Examples

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# P21
print(find("P 21"))

# P -1
print(find("P-1"))

cry documentation built on May 3, 2021, 9:06 a.m.