genspindens

#!/usr/bin/bash

# Default values
int_value=50
file_arg=""
script_name=$(basename "$0")

COMMAND_LIST=$(cat <<EOF
1
3
y
4
$int_value
5
7
10
11
EOF
)

# this command list works like this:
# 1 -> enter the type of plot
# 3 -> select spindens
# y -> accept the spindens plot
# $int_value -> select the grid size 
# 5 -> select the output format
# 7 -> select the cube output format
# 10 -> generate the cube
# 11 -> exit

# Help message
usage() {
    echo "Usage: $script_name -f <file> [-n <integer>]"
    echo "  -f <file>      Specify the file (required)"
    echo "  -n <integer>   Specify an integer (optional, default is 50)"
    echo "  -h             Display this help message"
}

# Parse arguments
while getopts "f:n:h" opt; do
    case $opt in
        f) file_arg="$OPTARG" ;;
        n) int_value="$OPTARG" ;;
        h) usage
           exit 0 ;;
        \?) echo "Invalid option: -$OPTARG" >&2
            usage
            exit 1 ;;
        :) echo "Option -$OPTARG requires an argument." >&2
           usage
           exit 1 ;;
    esac
done

# Check if the required argument -f is provided
if [ -z "$file_arg" ]; then
    echo "Error: -f <file> argument is required."
    usage
    exit 1
fi

# Construct the command now that file_arg is set
orca_plot_command="/run/media/vport/data/orca/orca_plot $file_arg -i"

# Main script logic
echo "$COMMAND_LIST" | $orca_plot_command > /dev/null 2>&1