cli_usage.sh

#!/usr/bin/env bash
set -euo pipefail

if [ "$#" -gt 3 ]; then
    echo "Usage: $0 [POSITION_FILE [Lx [Ly]]]" >&2
    exit 2
fi

script_dir=$(cd -- "$(dirname -- "${BASH_SOURCE[0]}")" && pwd)
position_file=${1:-"$script_dir/xy.dat"}
lx=${2:-1284.0}
ly=${3:-$lx}

# Particle summation is the default method.
structure-factor "$position_file" "$lx" "$ly" --max-mode 8 --no-show
structure-factor "$position_file" "$lx" "$ly" --method binary --grid-size 2.0 --no-show
structure-factor "$position_file" "$lx" "$ly" --method density --grid-size 2.0 --no-show
structure-factor "$position_file" "$lx" "$ly" --method occupancy --grid-size 2.0 --no-show

for kernel in gaussian top-hat disk; do
    structure-factor \
        "$position_file" "$lx" "$ly" \
        --method kernel \
        --kernel "$kernel" \
        --grid-size 2.0 \
        --no-show
done