[Swift-commit] r8371 - SwiftApps/ematter/galaxy

[ketan at ci.uchicago.edu]

Author: ketan
Date: 2015-01-21 15:27:47 -0600 (Wed, 21 Jan 2015)
New Revision: 8371

Added:
   SwiftApps/ematter/galaxy/genfdfwrap
Modified:
   SwiftApps/ematter/galaxy/pastawrap
Log:
pasta wrapper

Added: SwiftApps/ematter/galaxy/genfdfwrap
===================================================================
--- SwiftApps/ematter/galaxy/genfdfwrap	                        (rev 0)
+++ SwiftApps/ematter/galaxy/genfdfwrap	2015-01-21 21:27:47 UTC (rev 8371)
@@ -0,0 +1,13 @@
+#!/bin/bash
+
+src=$1
+dump=$2
+xyz=$3
+
+ln -s $src pizzasrc.py
+ln -s $dump dump.lammps 
+
+python pizzasrc.py dump.lammps xyz.xyz
+
+mv xyz.xyz $xyz
+


Property changes on: SwiftApps/ematter/galaxy/genfdfwrap
___________________________________________________________________
Added: svn:executable
   + *

Modified: SwiftApps/ematter/galaxy/pastawrap
===================================================================
--- SwiftApps/ematter/galaxy/pastawrap	2015-01-21 20:28:56 UTC (rev 8370)
+++ SwiftApps/ematter/galaxy/pastawrap	2015-01-21 21:27:47 UTC (rev 8371)
@@ -1,13 +1,22 @@
 #!/bin/bash
 
+# swiftpasta.py
+#   "${_src}"
+#   "${_xyz}" 
+#   "${_infdf}"
+#   "${_outfdf}"
+#   "${local_or_compute}"
+
 src=$1
-dump=$2
-xyz=$3
+xyz=$2
+infdf=$3
+outfdf=$4
 
-ln -s $src pizzasrc.py
-ln -s $dump dump.lammps 
+ln -s $src pasta
+ln -s $xyz xyz.txt
+ln -s $infdf in.fdf
 
-python pizzasrc.py dump.lammps xyz.xyz
+bash pasta xyz.txt in.fdf out.fdf
 
-mv xyz.xyz $xyz
+mv out.fdf $outfdf