symmetry-operations-symbols 0.0.2.0 → 0.0.2.1
raw patch · 7 files changed
+57/−42 lines, 7 filesdep ~basedep ~matrixdep ~matrix-as-xyz
Dependency ranges changed: base, matrix, matrix-as-xyz, parsec
Files
- ChangeLog.md +22/−0
- README.md +2/−2
- src/Data/Matrix/SymmetryOperationsSymbols.hs +5/−7
- src/Data/Matrix/SymmetryOperationsSymbols/GlideOrReflectionCase.hs +3/−3
- src/Data/Matrix/SymmetryOperationsSymbols/RotInversionCase.hs +5/−5
- src/Data/Matrix/SymmetryOperationsSymbols/RotationCase.hs +4/−4
- symmetry-operations-symbols.cabal +16/−21
+ ChangeLog.md view
@@ -0,0 +1,22 @@+# Changelog for symmetry-operations-symbols++## 0.0.2.1 -- 2020-08-09++* [jpn] ghc-8.4.4及び8.6.4でのビルド失敗の修正+* [jpn] 依存関係の変更++## 0.0.2.0 -- 2020-08-09++* [jpn] api変更+* [jpn] ライセンス変更++## 0.0.1.3 -- 2020-07-21++* [jpn] ghc8.10対応++## 0.0.1.0 -- 2020-07-20++* First version. Released on an unsuspecting world.++## Unreleased changes+
README.md view
@@ -19,8 +19,8 @@ ``` extra-deps:-- matrix-as-xyz-0.1.2.1-- symmetry-operations-symbols-0.0.2.0+- matrix-as-xyz-0.1.2.2+- symmetry-operations-symbols-0.0.2.1 ``` Edit dependencies part of package.yaml like below.
src/Data/Matrix/SymmetryOperationsSymbols.hs view
@@ -1,5 +1,4 @@ {-# LANGUAGE FlexibleInstances, CPP #-}- {-| Module : Data.Matrix.SymmetryOperationsSymbols Description : Read and Display Geometric representation of symmetry operation@@ -49,10 +48,9 @@ -- for doctest import Data.Matrix.AsXYZ (fromXYZ,prettyXYZ) -#if MIN_VERSION_base(4,11,0)+#if MIN_VERSION_base(4,13,0) import Control.Monad.Fail (MonadFail(..))-import qualified Control.Monad.Fail as Fail-instance Fail.MonadFail (Either String) where+instance MonadFail (Either String) where fail = Left #endif @@ -75,7 +73,7 @@ -- -- jpn) 与えられた対称操作の行列から、対称操作の幾何的表現を導出 ---#if MIN_VERSION_base(4,11,0)+#if MIN_VERSION_base(4,13,0) fromMatrix' :: (Integral a, MonadFail f) => Matrix (Ratio a) -> f String #else fromMatrix' :: (Monad m, Integral a) => Matrix (Ratio a) -> m String@@ -91,7 +89,7 @@ -- -- jpn) 与えられた対称操作の行列から、対称操作の幾何的表現を導出 ---#if MIN_VERSION_base(4,11,0)+#if MIN_VERSION_base(4,13,0) readMatrix' :: (MonadFail m, Integral a) => Matrix (Ratio a) -> m (SymopGeom a) #else readMatrix' :: (Monad m, Integral a) => Matrix (Ratio a) -> m (SymopGeom a)@@ -137,7 +135,7 @@ -> Either ParseError (Matrix (Ratio a)) -- ^ 3x4 Matrix toMatrixHex st = parse hexagonal st st -#if MIN_VERSION_base(4,11,0)+#if MIN_VERSION_base(4,13,0) liftError :: MonadFail m => Either ParseError a -> m a #else liftError :: Monad m => Either ParseError a -> m a
src/Data/Matrix/SymmetryOperationsSymbols/GlideOrReflectionCase.hs view
@@ -30,12 +30,12 @@ -- import qualified Data.Matrix.SymmetryOperationsSymbols.SymmetryOperation as S import qualified Data.Matrix.SymmetryOperationsSymbols.SymopGeom as S -#if MIN_VERSION_base(4,11,0)+#if MIN_VERSION_base(4,13,0) import Control.Monad.Fail (MonadFail(..)) #endif -- | Case (ii) (c) W corresponds to a (glide) reflection-#if MIN_VERSION_base(4,11,0)+#if MIN_VERSION_base(4,13,0) glideOrReflectionCase :: (Integral a, MonadFail f) => Matrix (Ratio a) -> f (S.SymopGeom a) #else glideOrReflectionCase :: (Monad m, Integral a) => Matrix (Ratio a) -> m (S.SymopGeom a)@@ -85,7 +85,7 @@ solvingEquation'' :: Integral a => Matrix (Ratio a) -> Maybe [Ratio a] solvingEquation'' mat = adjustAnswerOnPlane mat . toList =<< solvingEquation' mat -#if MIN_VERSION_base(4,11,0)+#if MIN_VERSION_base(4,13,0) solvingEquation :: (Integral a, MonadFail f) => Matrix (Ratio a) -> f [Ratio a] #else solvingEquation :: (Integral a, Monad m) => Matrix (Ratio a) -> m [Ratio a]
src/Data/Matrix/SymmetryOperationsSymbols/RotInversionCase.hs view
@@ -28,19 +28,19 @@ --import Data.Matrix.SymmetryOperationsSymbols.SymmetryOperation import Data.Matrix.SymmetryOperationsSymbols.SymopGeom -#if MIN_VERSION_base(4,11,0)+#if MIN_VERSION_base(4,13,0) import Control.Monad.Fail (MonadFail(..)) #endif -- | Case (ii) (b) W corresponds to an n-fold rotation-#if MIN_VERSION_base(4,11,0)+#if MIN_VERSION_base(4,13,0) rotInversionCase :: (Integral a, MonadFail f) => Matrix (Ratio a) -> f (SymopGeom a) #else rotInversionCase :: (Monad m, Integral a) => Matrix (Ratio a) -> m (SymopGeom a) #endif rotInversionCase m = arrange m <$> calc m -#if MIN_VERSION_base(4,11,0)+#if MIN_VERSION_base(4,13,0) calc :: (MonadFail m, Integral a) => Matrix (Ratio a) -> m ([Ratio a], Matrix (Ratio a)) #else calc :: (Monad m, Integral a) => Matrix (Ratio a) -> m ([Ratio a], Matrix (Ratio a))@@ -88,7 +88,7 @@ wl mat = elementwise (+) (wg mat) (transPart mat) -- (ii) (a) solving equation (W,w)x = x-#if MIN_VERSION_base(4,11,0)+#if MIN_VERSION_base(4,13,0) solvingEquation1 :: (MonadFail m, Integral a) => Matrix (Ratio a) -> m (Matrix (Ratio a)) #else solvingEquation1 :: (Monad m, Integral a) => Matrix (Ratio a) -> m (Matrix (Ratio a))@@ -107,7 +107,7 @@ pow2 m = multStd m m w2 = pow2 (rotPart mat) -#if MIN_VERSION_base(4,11,0)+#if MIN_VERSION_base(4,13,0) solvingEquation2 :: (Integral a, MonadFail f) => Matrix (Ratio a) -> f [Ratio a] #else solvingEquation2 :: (Monad m, Integral a) => Matrix (Ratio a) -> m [Ratio a]
src/Data/Matrix/SymmetryOperationsSymbols/RotationCase.hs view
@@ -29,12 +29,12 @@ --import Data.Matrix.SymmetryOperationsSymbols.SymmetryOperation import Data.Matrix.SymmetryOperationsSymbols.SymopGeom -#if MIN_VERSION_base(4,11,0)-import Control.Monad.Fail (MonadFail(..))+#if MIN_VERSION_base(4,13,0)+import Control.Monad.Fail (MonadFail) #endif -- | Case (ii) (a) W corresponds to a rotoinversion-#if MIN_VERSION_base(4,11,0)+#if MIN_VERSION_base(4,13,0) nFoldRotationCase :: (Integral a, MonadFail f) => Matrix (Ratio a) -> f (SymopGeom a) #else nFoldRotationCase :: (Monad m, Integral a) => Matrix (Ratio a) -> m (SymopGeom a)@@ -108,7 +108,7 @@ sol <- solvingEquation' mat adjustAnswerOnAxis mat (toList sol) -#if MIN_VERSION_base(4,11,0)+#if MIN_VERSION_base(4,13,0) solvingEquation :: (Integral a, MonadFail f) => Matrix (Ratio a) -> f [Ratio a] #else solvingEquation :: (Monad m, Integral a) => Matrix (Ratio a) -> m [Ratio a]
symmetry-operations-symbols.cabal view
@@ -4,10 +4,10 @@ -- -- see: https://github.com/sol/hpack ----- hash: d049352960db9423c5cc3e872b002a336e32458f133a79ca2dca62268afed868+-- hash: 5f2b0e4753d93beec7a429cb5e6b278905d59adf85897b9b854463435756f181 name: symmetry-operations-symbols-version: 0.0.2.0+version: 0.0.2.1 synopsis: Derivation of symbols and coordinate triplets Library description: Please see the README on GitHub at <https://github.com/narumij/symmetry-operations-symbols#readme> category: Chemistry@@ -21,6 +21,7 @@ build-type: Simple extra-source-files: README.md+ ChangeLog.md source-repository head type: git@@ -45,33 +46,28 @@ hs-source-dirs: src build-depends:- QuickCheck- , base >=4.8 && <5- , doctest- , hspec- , matrix >=0.3.5 && <4- , matrix-as-xyz >=0.1.1 && <0.2- , parsec >=3.1 && <4+ base >=4.8 && <5+ , matrix >=0.1 && <0.4+ , matrix-as-xyz >=0.1 && <0.2+ , parsec >=3 && <4 default-language: Haskell2010 -test-suite doctest+test-suite symmetry-operations-symbols-doctest type: exitcode-stdio-1.0 main-is: test/doctests.hs other-modules: Paths_symmetry_operations_symbols ghc-options: -threaded -rtsopts -with-rtsopts=-N build-depends:- QuickCheck- , base >=4.8 && <5+ base >=4.8 && <5 , doctest- , hspec- , matrix >=0.3.5 && <4- , matrix-as-xyz >=0.1.1 && <0.2- , parsec >=3.1 && <4+ , matrix >=0.1 && <0.4+ , matrix-as-xyz >=0.1 && <0.2+ , parsec >=3 && <4 , symmetry-operations-symbols default-language: Haskell2010 -test-suite spec-test+test-suite symmetry-operations-symbols-test type: exitcode-stdio-1.0 main-is: Spec.hs other-modules:@@ -87,10 +83,9 @@ build-depends: QuickCheck , base >=4.8 && <5- , doctest , hspec- , matrix >=0.3.5 && <4- , matrix-as-xyz >=0.1.1 && <0.2- , parsec >=3.1 && <4+ , matrix >=0.1 && <0.4+ , matrix-as-xyz >=0.1 && <0.2+ , parsec >=3 && <4 , symmetry-operations-symbols default-language: Haskell2010