Exec_threeD

#!/bin/bash

#FILE:  Exec_threeD
#DATE:  23 FEB 2004
#AUTH:  G. E. Deschaines
#DESC:  Execute threeD.exe with specified trajectory output file.

function remove_symlink
{
  if [ -h TXYZ.OUT ]
  then
    rm -f ./TXYZ.OUT
  fi
}

# Check command line parameters
if [ $# -lt 1 ] || [ $1 -lt 0 ] || [ $1 -gt  9999 ]
then
  echo "usage:  Exec_threeD ####"
  echo "where:  #### is a TXYZ.OUT file run number of the form"
  echo "        0000 to 9999 inclusive."
  exit -1
fi
run=$1

# Check if threeD executable file exists.
if [ ! -e ./bin/threeD.exe ]
then
  echo "error:  threeD.exe does not exist, but can be created"
  echo "        by running the Make_threeD shell script."
  exit -1
fi

# Check if trajectory output file exists.
file="TXYZ.OUT.${run}"
if [ ! -e ./txyz/$file ]
then
  echo "error:  file ${file} does not exist."
  exit -2
fi

# Create ./Ximg subdirectory is not present.
if [ ! -d ./Ximg ]
then
  mkdir ./Ximg
fi

# Remove previous symbolic link TXYZ.OUT (if it exists) and
# create symbolic link to specified trajectory output file
# as TXYZ.OUT, which threeD loads.
remove_symlink
ln -s ./txyz/${file} ./TXYZ.OUT
   
# Initiate execution of threeD.
./bin/threeD.exe

# Remove symbolic link TXYZ.OUT.
remove_symlink
exit 0