hall-symbols-0.1.0.4: Symmetry operations generater of Hall Symbols

Copyright(c) Jun Narumi 2018
LicenseBSD3 (see the LICENSE file)
Maintainernarumij@gmail.com
Stabilityexperimental
Portability?
Safe HaskellNone
LanguageHaskell2010

Crystallography.HallSymbols

Description

Symmetry operations generater of Hall Symbols

References
  1. Concise Space-Group Symbols http://cci.lbl.gov/sginfo/hall_symbols.html , See also : https://github.com/rwgk/sginfo
  2. Space-Group Notation with an Explicit Origin S.R. Hall; Space-Group Notation with an Explicit Origin ; Acta Cryst. (1981). A37, 517-525
  3. ITVB 2001 Table A1.4.2.7 Hall symbols http://cci.lbl.gov/sginfo/itvb_2001_table_a1427_hall_symbols.html
Synopsis

Documentation

fromHallSymbols :: String -> Either ParseError [Matrix Rational] Source #

Generate general equivalent positions by 4x4 matrix

fromHallSymbols' :: String -> [Matrix Rational] Source #

Generate general equivalent positions by 4x4 matrix (unsafe version)

generatorsOfHallSymbols :: String -> [Matrix Rational] Source #

Generate Generators by 4x4 matrix (unsafe version)

hallSymbols :: CharParser () [Matrix Rational] Source #

Parse and make General Positions.

generators :: CharParser () [Matrix Rational] Source #

Parse and make Generators.

type LatticeSymbol = (Bool, Char) Source #

Lattice symbol e.g. P -P I -I R A B C F

not suport T and S

data MatrixSymbol Source #

Matrix symbol e.g. 2 2xa 3 41 65

type OriginShift = (Integer, Integer, Integer) Source #

Origin shift e.g. (0 0 1)