Copyright | (c) Jun Narumi 2018 |
---|---|
License | BSD3 (see the LICENSE file) |
Maintainer | narumij@gmail.com |
Stability | experimental |
Portability | ? |
Safe Haskell | None |
Language | Haskell2010 |
Symmetry operations generater of Hall Symbols
- References
- Concise Space-Group Symbols http://cci.lbl.gov/sginfo/hall_symbols.html , See also : https://github.com/rwgk/sginfo
- Space-Group Notation with an Explicit Origin S.R. Hall; Space-Group Notation with an Explicit Origin ; Acta Cryst. (1981). A37, 517-525
- ITVB 2001 Table A1.4.2.7 Hall symbols http://cci.lbl.gov/sginfo/itvb_2001_table_a1427_hall_symbols.html
Synopsis
- fromHallSymbols :: String -> Either ParseError [Matrix Rational]
- fromHallSymbols' :: String -> [Matrix Rational]
- generatorsOfHallSymbols :: String -> [Matrix Rational]
- hallSymbols :: CharParser () [Matrix Rational]
- parser :: CharParser () (LatticeSymbol, [MatrixSymbol], OriginShift)
- generators :: CharParser () [Matrix Rational]
- type LatticeSymbol = (Bool, Char)
- data MatrixSymbol
- type OriginShift = (Integer, Integer, Integer)
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.
parser :: CharParser () (LatticeSymbol, [MatrixSymbol], OriginShift) Source #
Primitive parser
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
Instances
Show MatrixSymbol Source # | |
Defined in Crystallography.HallSymbols showsPrec :: Int -> MatrixSymbol -> ShowS # show :: MatrixSymbol -> String # showList :: [MatrixSymbol] -> ShowS # |