"""
Module for handling the timing in a MD run.
"""
import datetime
import sys
import time
from dataclasses import dataclass, field
from os.path import exists as os_path_exists
from typing import Optional
from .exceptions import TimerError
[docs]@dataclass
class SarkasTimer:
"""
Timer class modified from https://realpython.com/python-timer/
"""
_start_time: Optional[float] = field(default=None, init=False, repr=False)
[docs] def start(self):
"""Start a new timer"""
if self._start_time is not None:
raise TimerError("Timer is running. Use .stop() to stop it")
self._start_time = time.perf_counter_ns()
[docs] def stop(self) -> int:
"""
Stop the timer, and report the elapsed time.
Returns
-------
elapsed_time: int
Elapsed time in nanoseconds.
"""
if self._start_time is None:
raise TimerError("Timer is not running. Use .start() to start it")
# Calculate elapsed time
elapsed_time = time.perf_counter_ns() - self._start_time
self._start_time = None
return elapsed_time
[docs] @staticmethod
def current() -> int:
"""Grab the current time in nanoseconds."""
return time.perf_counter_ns()
[docs] @staticmethod
def time_division(tme: int) -> list:
"""
Divide time into hours, min, sec, msec, microsec (usec), and nanosec.
Parameters
----------
tme : int
Time in nanoseconds.
Returns
-------
: list
[hours, min, sec, msec, microsec (usec), nanosec]
"""
t_hrs, rem = divmod(tme, 3.6e12)
t_min, rem_m = divmod(rem, 6e10)
t_sec, rem_s = divmod(rem_m, 1e9)
t_msec, rem_ms = divmod(rem_s, 1e6)
t_usec, rem_us = divmod(rem_ms, 1e3)
t_nsec, _ = divmod(rem_us, 1)
return [t_hrs, t_min, t_sec, t_msec, t_usec, t_nsec]
[docs]def datetime_stamp(log_file):
"""Add a Date and Time stamp to log file. If the file exists it appends three paragraph so that it is easier to see
the new line.
Parameters
----------
log_file : str
Path to file on which date time stamp should be appended to.
"""
if os_path_exists(log_file):
with open(log_file, "a+") as f_log:
# Add some space to better distinguish the new beginning
print(f"\n\n\n", file=f_log)
with open(log_file, "a+") as f_log:
ct = datetime.datetime.now()
print(f"{'':~^80}", file=f_log)
print(f"Date: {ct.year} - {ct.month} - {ct.day}", file=f_log)
print(f"Time: {ct.hour}:{ct.minute}:{ct.second}", file=f_log)
print(f"{'':~^80}\n", file=f_log)
[docs]def time_stamp(log_file: str, message: str, timing: tuple, print_to_screen: bool = False):
"""
Print out to screen elapsed times. If verbose output, print to file first and then to screen.
Parameters
----------
log_file : str
Path to file on which date time stamp should be appended to.
message : str
Message to print.
timing : tuple
Time in hrs, min, sec, msec, usec, nsec.
print_to_screen : bool
Flag for printing the message to screen. Default is False.
"""
screen = sys.stdout
f_log = open(log_file, "a+")
repeat = 2 if print_to_screen else 1
t_hrs, t_min, t_sec, t_msec, t_usec, t_nsec = timing
# redirect printing to file
sys.stdout = f_log
while repeat > 0:
if t_hrs == 0 and t_min == 0 and t_sec <= 2:
print(f"\n{message} Time: {int(t_sec)} sec {int(t_msec)} msec {int(t_usec)} usec {int(t_nsec)} nsec")
else:
print(f"\n{message} Time: {int(t_hrs)} hrs {int(t_min)} min {int(t_sec)} sec")
repeat -= 1
sys.stdout = screen
f_log.close()
