MolecularDiffusion.utils.io¶

Classes¶

`CaptureStdIO`
`RankState`
`RankedLogger`	A multi-GPU-friendly python command line logger.

Functions¶

`capture_rdkit_log`()	Context manager to capture all rdkit loggings.
`input_choice`(prompt[, choice])	Print a prompt on the command line and wait for a choice.
`literal_eval`(string)	Evaluate an expression into a Python literal structure.
`no_rdkit_log`()	Context manager to suppress all rdkit loggings.
`rank_prefixed_message`(→ str)

Module Contents¶

class MolecularDiffusion.utils.io.CaptureStdIO(stdout=True, stderr=False)¶

Bases: object

file¶

stderr = False¶

stdout = True¶

class MolecularDiffusion.utils.io.RankState¶

classmethod get_rank() → int¶

classmethod set_rank(value: int)¶

rank: int | None = None¶

class MolecularDiffusion.utils.io.RankedLogger(name: str = __name__, rank_zero_only: bool = False, extra: Mapping[str, object] | None = None)¶

Bases: logging.LoggerAdapter

A multi-GPU-friendly python command line logger.

Initialize the adapter with a logger and a dict-like object which provides contextual information. This constructor signature allows easy stacking of LoggerAdapters, if so desired.

You can effectively pass keyword arguments as shown in the following example:

adapter = LoggerAdapter(someLogger, dict(p1=v1, p2=”v2”))

log(level: int, msg: str, rank: int | None = None, *args, **kwargs) → None¶: Delegate a log call to the underlying logger, after adding contextual information from this adapter instance.

rank_zero_only = False¶

MolecularDiffusion.utils.io.capture_rdkit_log()¶

Context manager to capture all rdkit loggings.

Example:

>>> with utils.capture_rdkit_log() as log:
>>>     ...
>>> print(log.content)

MolecularDiffusion.utils.io.input_choice(prompt, choice=('y', 'n'))¶

Print a prompt on the command line and wait for a choice.

Parameters:

prompt (str) – prompt string
choice (tuple of str, optional) – candidate choices

MolecularDiffusion.utils.io.literal_eval(string)¶: Evaluate an expression into a Python literal structure.

MolecularDiffusion.utils.io.no_rdkit_log()¶: Context manager to suppress all rdkit loggings.

MolecularDiffusion.utils.io.rank_prefixed_message(msg: str, rank: int) → str¶