schrodinger.application.desmond.packages.timer module

Facilities for timing a block of code. Copyright Schrodinger, LLC. All rights reserved.

Example usage:

from schrodinger.application.desmond.packages.timer import timer

with timer(“Reading the trajectory…”):

traj.read_trj(trj_fname)

Example output:

Reading the trajectory…

100 frames Done. (0.5 sec)

In this example, we have three lines in output. Line#1 is the start message, and line#3 is the timing message. The start-message and the format for the timing message can be customed by the message and fmt arguments, respectively.

Arguments for timer:

type message

str or None

type message

The message to print out before the timing starts. Default is None – no message will be printed.

type fmt

str

type fmt

The format to print out the timing. Default is “Done. (%.2f sec)”. A custom format should contain 1 floating number control paramter.

type threshold

float

param threshold

Specifies a threshold. If the elapsed time is less than threshold, no timing message will not be printed out.

type record

list or None

param record

If a list value is given, the current elapsed time will be appended to the list. This is handy if you want to accumulate the elapsed times.

type logger

A callable object.

param logger

Function called to print the messages.

class schrodinger.application.desmond.packages.timer.Timer(message=None, threshold=0.1, fmt=' Done. (%.2f sec)', record=None, logger=<function _default_logger>)[source]

Bases: object

You can use this class to create your own timer function with custom default behavior.

Example usage:

from schrodinger.application.desmond.packages.timer import Timer

mytimer = Timer(threshold=0.2) # Creates a timer with 0.2 threshold.

with mytimer(“Reading the trajectory…”):

traj.read_trj(trj_fname)

In this example, mytimer behaves exactly the same as the standard timer (see the docstring of this module) except for the default value of threshold parameter that has been customed to 0.2.

class Args(message, threshold, fmt, record, logger)

Bases: tuple

__contains__(key, /)

Return key in self.

__len__()

Return len(self).

count(value, /)

Return number of occurrences of value.

fmt

Alias for field number 2

index(value, start=0, stop=9223372036854775807, /)

Return first index of value.

Raises ValueError if the value is not present.

logger

Alias for field number 4

message

Alias for field number 0

record

Alias for field number 3

threshold

Alias for field number 1

__init__(message=None, threshold=0.1, fmt=' Done. (%.2f sec)', record=None, logger=<function _default_logger>)[source]

Initialize self. See help(type(self)) for accurate signature.