#!/usr/bin/env python3
"""
Code to systematically find the most stable geometry for molecules on surfaces
"""
import os

from modules.config_arg import get_args
from modules.config_log import config_log
from modules.dos_input import read_input
from modules.isolated import run_isolated
from modules.screening import run_screening
from modules.refinement import run_refinement

args = get_args()
logger = config_log('DockOnSurf')

logger.info(f'DockOnSurf started on {os.getcwd()}.')
logger.info(f"Using '{args.input}' as input.")

inp_vars = read_input(args.input)

if inp_vars['isolated']:
    run_isolated(inp_vars)

if inp_vars['screening']:
    run_screening(inp_vars)

if inp_vars['refinement']:
    run_refinement(inp_vars)

logger.info(f'DockOnSurf finished.')