pestifer.subcommands.rebuild_charmmff_cache module

The rebuild-charmmff-cache subcommand. Rebuilds the CHARMM force field cache from the current topology and parameter files.

class pestifer.subcommands.rebuild_charmmff_cache.RebuildCHARMMFFCache(name: str = 'rebuild-charmmff-cache', aliases: list = <factory>, log_file: str = 'pestifer_diagnostics.log', short_help: str = 'rebuild the CHARMM force field cache', long_help: str = 'Rebuild the CHARMM force field cache from the current topology and parameter files.', func_returns_type: type = <class 'bool'>, parser: argparse.ArgumentParser = None)

Bases: Subcommand

add_subparser(subparsers)

Adds the subcommand parser to the given subparsers. Subclasses declare arguments here, after a super().add_subparser() call.

static func(args: Namespace, **kwargs)

the function that executes the subcommand. Subclasses must implement this method.

long_help: str = 'Rebuild the CHARMM force field cache from the current topology and parameter files.'

description

name: str = 'rebuild-charmmff-cache'

subcommand name

short_help: str = 'rebuild the CHARMM force field cache'

help string