Fixing potentially missing cube files for VMD plotting and push version

sheepforce · Apr 5, 2019 · 2c9d899 · 2c9d899
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commit 2c9d899
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Showing 3 changed files with 6 additions and 5 deletions.
diff --git a/Exckel.cabal b/Exckel.cabal
@@ -1,13 +1,13 @@
 cabal-version: 1.12
 
--- This file has been generated from package.yaml by hpack version 0.31.0.
+-- This file has been generated from package.yaml by hpack version 0.31.1.
 --
 -- see: https://github.com/sol/hpack
 --
--- hash: af97ebc516c2e9c20a9bcc1dbb3d12f140587d0c0c4fb4c8ccc119e9e71e5bc1
+-- hash: 1c4becb67bc53fc4a7941e470b0252e87d570f6e423c314afd785743857bce95
 
 name:           Exckel
-version:        0.3.0.2
+version:        0.3.0.3
 description:    Please see the README on GitHub at <https://github.com/githubuser/Exckel#readme>
 homepage:       https://github.com/sheepforce/Exckel#readme
 bug-reports:    https://github.com/sheepforce/Exckel/issues

diff --git a/package.yaml b/package.yaml
@@ -1,5 +1,5 @@
 name:                Exckel
-version:             0.3.0.2
+version:             0.3.0.3
 github:              "sheepforce/Exckel"
 license:             GPL-3
 author:              "Phillip Seeber"

diff --git a/src/Exckel/CLI/CLI.hs b/src/Exckel/CLI/CLI.hs
@@ -529,6 +529,7 @@ doPlots fi = do
     Just VMD {} -> do
       -- Informations about the current settings
       logMessage "Orbital cubes to plot" $ show $ map takeFileName $ fiWithCubes ^. cubeFiles . orbCubes . _Just
+      logMessage "Natural orbital cubes to plot" $ show $ map takeFileName $ fiWithCubes ^. cubeFiles . natOrbCubes . _Just
       logMessage "Hole density cubes to plot" $ show $ map takeFileName $ fiWithCubes ^. cubeFiles . holeCubes . _Just
       logMessage "Electron density cubes to plot" $ show $ map takeFileName $ fiWithCubes ^. cubeFiles . electronCubes . _Just
       logMessage "CDD cubes to plot" $ show $ map takeFileName $ fiWithCubes ^. cubeFiles . cddCubes . _Just
@@ -544,7 +545,7 @@ doPlots fi = do
       logMessage "Rendering resolution" $ show (unwrappedRenderer ^. cpRenderer . rResolution)
       logMessage "Rendering image format" $ show (unwrappedRenderer ^. cpRenderer . rImageFormat)
       logInfo "Calling VMD and Tachyon. See \"VMD.out\", \"VMD.err\", \"Tachyon.out\" and \"Tachyon.err\""
-      CP.VMD.plotCubes fi
+      CP.VMD.plotCubes fiWithCubes
       allImages <- findAllImages (fiWithCubes ^. outputPrefix)
       return allImages
     Nothing     -> return $ fiWithCubes ^. imageFiles