symmetry-operations-symbols 0.0.1.1 → 0.0.1.2

raw patch · 7 files changed

+18/−4 lines, 7 filesdep ~base

Dependency ranges changed: base

Files

• README.md +1/−1
• src/Data/Matrix/SymmetryOperationsSymbols.hs +7/−1
• src/Data/Matrix/SymmetryOperationsSymbols/Common.hs +2/−0
• src/Data/Matrix/SymmetryOperationsSymbols/GlideOrReflectionCase.hs +2/−0
• src/Data/Matrix/SymmetryOperationsSymbols/RotInversionCase.hs +2/−0
• src/Data/Matrix/SymmetryOperationsSymbols/RotationCase.hs +2/−0
• symmetry-operations-symbols.cabal +2/−2

@@ -16,7 +16,7 @@ ``` extra-deps: - matrix-as-xyz-0.1.1.1-- symmetry-operations-symbols-0.0.1.1+- symmetry-operations-symbols-0.0.1.2 ```  Then start repl.

@@ -1,4 +1,4 @@-{-# LANGUAGE FlexibleInstances #-}+{-# LANGUAGE FlexibleInstances, CPP #-}  {-| Module      : SymmetryOperationsSymbols@@ -46,10 +46,16 @@ -- for doctest import Data.Matrix.AsXYZ +import Control.Monad.Fail (MonadFail)++#if MIN_VERSION_base(4,11,0) import qualified Control.Monad.Fail as Fail+#endif +#if MIN_VERSION_base(4,11,0) instance Fail.MonadFail (Either String) where   fail = Left+#endif  -- | Derivation of geometric representation of symmetry operations from given matrix of symmetry operations --

@@ -42,6 +42,8 @@  import Data.Matrix.SymmetryOperationsSymbols.Symbol +import Control.Monad.Fail (MonadFail)+ type ErrorMessage = String type SymbolSenseVectorOrientation = (Symbol,String,String,String) 

@@ -27,6 +27,8 @@ import Data.Matrix.AsXYZ import qualified Data.Matrix.SymmetryOperationsSymbols.SymmetryOperation as S +import Control.Monad.Fail (MonadFail)+ -- | Case (ii) (c) W corresponds to a (glide) reflection glideOrReflectionCase :: (Monad m, MonadFail m, Integral a) => Matrix (Ratio a) -> m (S.SymmetryOperation a) glideOrReflectionCase m = arrange m <$> solvingEquation m

@@ -26,6 +26,8 @@ import Data.Matrix.AsXYZ import Data.Matrix.SymmetryOperationsSymbols.SymmetryOperation +import Control.Monad.Fail (MonadFail)+ -- | Case (ii) (b) W corresponds to an n-fold rotation rotInversionCase :: (Monad m, MonadFail m, Integral a) => Matrix (Ratio a) -> m (SymmetryOperation a) rotInversionCase m = arrange m <$> calc m

@@ -25,6 +25,8 @@ import Data.Matrix.AsXYZ import Data.Matrix.SymmetryOperationsSymbols.SymmetryOperation +import Control.Monad.Fail (MonadFail)+ -- | Case (ii) (a) W corresponds to a rotoinversion nFoldRotationCase :: (Monad m, MonadFail m, Integral a) => Matrix (Ratio a) -> m (SymmetryOperation a) nFoldRotationCase m = arrange m <$> solvingEquation m

@@ -4,10 +4,10 @@ -- -- see: https://github.com/sol/hpack ----- hash: eeffc2b8d8d697ad118301d03222b4a08c17c39810fe01ee86e9abd9b3d67dbb+-- hash: ad9aae34126c6880e0673941bf26f931a32589140d48d68735fe3519f77eb9b5  name:           symmetry-operations-symbols-version:        0.0.1.1+version:        0.0.1.2 description:    Please see the README on GitHub at <https://github.com/narumij/symmetry-operations-symbols#readme> homepage:       https://github.com/narumij/symmetry-operations-symbols#readme bug-reports:    https://github.com/narumij/symmetry-operations-symbols/issues