#!/usr/bin/env bash set -euo pipefail SELF=$(readlink -f "${BASH_SOURCE[0]}") cd -- "${SELF%%/*/*}" # ------------------- Create, activate and configure venv -------------------- # if [[ ! -d ./venv ]] then python3 -m venv venv fi source ./venv/bin/activate pip install -U pip pip install -U . # -------------------------------- Functions --------------------------------- # function append_cmd_help() { local path=$1 local subcmd=${2:-} local cmd if [[ -n $subcmd ]] then cmd=(chemfeat "$subcmd" --help) cat >> "$path" << MD ## ${subcmd^} MD else cmd=(chemfeat --help) fi cat >> "$path" << MD ~~~ \$ ${cmd[*]} $("${cmd[@]}" 2>&1) ~~~ MD } function gen_cmd_help() { local path=$1 cat > "$path" << MD # Command-Line Usage The package provides the \`chemfeat\` executable which recognizes several subcommands: MD append_cmd_help "$path" for subcmd in calculate configure describe do append_cmd_help "$path" "$subcmd" done } function gen_conf() { path=$1 cat > "$path" << 'CONF' # Feature-set Configuration File ~~~yaml CONF chemfeat conf >> "$path" echo '~~~' >> "$path" } # --------------------------------- Generate --------------------------------- # gen_cmd_help ./doc/source/gen_command_help.md chemfeat desc -o ./doc/source/gen_features.md gen_conf ./doc/source/gen_feature_set_configuration.md