hall-symbols 0.1.0.4 → 0.1.0.5

raw patch · 3 files changed

+11/−36 lines, 3 filesdep ~basePVP ok

version bump matches the API change (PVP)

Dependency ranges changed: base

API changes (from Hackage documentation)

Files

• README.md +7/−6
• hall-symbols.cabal +2/−2
• src/Crystallography/HallSymbols.hs +2/−28

@@ -20,11 +20,15 @@ - hall-symbols-0.1.0.4 ``` -Build project.+Edit dependencies part of package.yaml like below. -```shell-% stack build ```+dependencies:+- base >= 4.7 && < 5+- matrix-as-xyz+- symmetry-operations-symbols+- hall-symbols+```  Then start repl. @@ -35,9 +39,6 @@ Setup packages and load modules.  ```haskell-repl> :set -package matrix-as-xyz-repl> :set -package symmetry-operations-symbols-repl> :set -package hall-symbols repl> :m Data.Matrix.AsXYZ Data.Matrix.SymmetryOperationsSymbols Crystallography.HallSymbols ``` 

@@ -4,10 +4,10 @@ -- -- see: https://github.com/sol/hpack ----- hash: c2e2ed9f27fb5a7cf649dcd9c0d306d1fa2de8b0760efccb8a138d070cbf0d12+-- hash: 872545710770f41dfedddbd9df54cad9ebd1fae11f74e610b342357c380d189f  name:           hall-symbols-version:        0.1.0.4+version:        0.1.0.5 synopsis:       Symmetry operations generater of Hall Symbols description:    Please see the README on GitHub at <https://github.com/narumij/hall-symbols#readme> category:       Chemistry

@@ -23,10 +23,9 @@   fromHallSymbols,   fromHallSymbols',   generatorsOfHallSymbols,-  hallSymbols,---  hallSymbols',   parser,   generators,+  hallSymbols,   LatticeSymbol,   MatrixSymbol,   OriginShift,@@ -150,29 +149,9 @@       -- 正常に終了すると、一般座標の行列を返します。       return equivalentPositions --- | Parse and make General Positions.-generateLikeITC :: CharParser () [Matrix Rational]-generateLikeITC = do-  raw <- parser-  let equivalentPositions = likeITC raw-  if null equivalentPositions-    then-      fail "something happen when decode or generate process."-    else-      -- 正常に終了すると、一般座標の行列を返します。-      return equivalentPositions--likeITC :: ( LatticeSymbol, [MatrixSymbol], OriginShift ) -> [Matrix Rational]-likeITC raw = if null h then [] else r            -  where-    constructMatrices' (l,nat,v) = fmap (mapOriginShfit v) [lattice l, map matrix nat]-    [a,b] = constructMatrices' . restoreDefaultAxis $ raw-    h = generate $ [identity] ++ b-    r = generate $ h ++ a- -- | Generate general equivalent positions by 4x4 matrix fromHallSymbols :: String -> Either ParseError [Matrix Rational]-fromHallSymbols s = parse generateLikeITC ("while reading " ++ show s) s+fromHallSymbols s = parse hallSymbols ("while reading " ++ show s) s  -- | Generate general equivalent positions by 4x4 matrix (unsafe version) fromHallSymbols' :: String -> [Matrix Rational]@@ -187,11 +166,6 @@   Right mm -> mm   where     gg s = parse generators ("while reading " ++ show s) s---- | Generate general equivalent positions by 4x4 matrix--- same as old version fromHallSymbols-fromHallSymbols''' :: String -> Either ParseError [Matrix Rational]-fromHallSymbols''' s = parse hallSymbols ("while reading " ++ show s) s  -- パースした簡約記号からseiz matrixを復元します decodeSymbols :: ( LatticeSymbol, [MatrixSymbol], OriginShift ) -> [Matrix Rational]