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2 changes: 1 addition & 1 deletion environment-dev.yaml
Original file line number Diff line number Diff line change
@@ -1,4 +1,4 @@
name: rplibs
name: rr_cache
channels:
- conda-forge
- nodefaults
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24 changes: 0 additions & 24 deletions rr_cache/Args.py
Original file line number Diff line number Diff line change
@@ -1,9 +1,6 @@
from argparse import ArgumentParser
from typing import Callable
from os import path as os_path

from brs_utils import add_logger_args

HERE = os_path.dirname(os_path.abspath(__file__))
CONFIG_PATH = os_path.join(HERE, "config")
# Default values for the arguments
Expand All @@ -17,28 +14,7 @@
}


def build_args_parser(
prog: str,
description: str = "",
epilog: str = "",
m_add_args: Callable = None,
) -> ArgumentParser:

parser = ArgumentParser(prog=prog, description=description, epilog=epilog)

# Build Parser with rptools common arguments
parser = add_arguments(parser)

# Add module specific arguments
if m_add_args is not None:
parser = m_add_args(parser)

return parser


def add_arguments(parser: ArgumentParser) -> ArgumentParser:
# Add arguments related to the logger
parser = add_logger_args(parser)

parser.add_argument(
"--chemical-space",
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2 changes: 1 addition & 1 deletion rr_cache/__init__.py
Original file line number Diff line number Diff line change
@@ -1,4 +1,4 @@
from rr_cache.rr_cache import rrCache
from .rr_cache import rrCache

# from rr_cache._version import __version__

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42 changes: 12 additions & 30 deletions rr_cache/__main__.py
Original file line number Diff line number Diff line change
@@ -1,41 +1,16 @@
from rr_cache.rr_cache import (
rrCache,
)
from rr_cache.Args import build_args_parser
from rr_cache.Args import add_arguments
from brs_utils import init as init_logger, build_args_parser
from logging import Logger, getLogger
from colored import fg, attr
from argparse import ArgumentParser, Namespace
from json import dumps
from typing import (
List,
)
from .Args import CONFIG_PATH


def init(parser: "ArgumentParser", args: "Namespace") -> Logger:
from brs_utils import create_logger
from rr_cache._version import __version__

if args.log.lower() in ["silent", "quiet"] or args.silent:
args.log = "CRITICAL"

if args.log.lower() in ["silent", "quiet", "def_info"] or args.silent:
disable_rdkit_logging()
# # Disable RDKIT logging
# from rdkit import RDLogger
# RDLogger.DisableLog('rdApp.*')

# Create logger
logger = create_logger(parser.prog, args.log, "rr_cache.log")

logger.info(
"{color}{typo}rr_cache {version}{rst}{color}{rst}\n".format(
version=__version__, color=fg("white"), typo=attr("bold"), rst=attr("reset")
)
)
logger.debug(args)

return logger
from ._version import __version__


def disable_rdkit_logging():
Expand All @@ -51,10 +26,17 @@ def disable_rdkit_logging():


def entry_point():
parser = build_args_parser(prog="rr_cache", description="RetroRules Cache")
parser = build_args_parser(
prog="rr_cache",
version=__version__,
description="RetroRules Cache",
m_add_args=add_arguments,
)
args = parser.parse_args()
if args.log.lower() in ["silent", "quiet", "def_info"] or args.silent:
disable_rdkit_logging()

logger = init(parser, args)
logger = init_logger(parser, args, __version__)

if args.list_chemical_spaces:
# list config_*.json files in CONFIG_PATH
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