w_postanalysis_reweight
westpa.cli.tools.w_postanalysis_reweight module
- class westpa.cli.tools.w_postanalysis_reweight.WESTMasterCommand
Bases:
WESTToolBase class for command-line tools that employ subcommands
- add_args(parser)
Add arguments specific to this tool to the given argparse parser.
- go()
Perform the analysis associated with this tool.
- include_help_command = True
- process_args(args)
Take argparse-processed arguments associated with this tool and deal with them appropriately (setting instance variables, etc)
- subcommands = None
- subparsers_title = None
- class westpa.cli.tools.w_postanalysis_reweight.WESTParallelTool(wm_env=None)
Bases:
WESTToolBase class for command-line tools parallelized with wwmgr. This automatically adds and processes wwmgr command-line arguments and creates a work manager at self.work_manager.
- add_args(parser)
Add arguments specific to this tool to the given argparse parser.
- go()
Perform the analysis associated with this tool.
- main()
A convenience function to make a parser, parse and process arguments, then run self.go() in the master process.
- make_parser_and_process(prog=None, usage=None, description=None, epilog=None, args=None)
A convenience function to create a parser, call add_all_args(), and then call process_all_args(). The argument namespace is returned.
- process_args(args)
Take argparse-processed arguments associated with this tool and deal with them appropriately (setting instance variables, etc)
- westpa.cli.tools.w_postanalysis_reweight.warn()
Issue a warning, or maybe ignore it or raise an exception.
- message
Text of the warning message.
- category
The Warning category subclass. Defaults to UserWarning.
- stacklevel
How far up the call stack to make this warning appear. A value of 2 for example attributes the warning to the caller of the code calling warn().
- source
If supplied, the destroyed object which emitted a ResourceWarning
- skip_file_prefixes
An optional tuple of module filename prefixes indicating frames to skip during stacklevel computations for stack frame attribution.
- class westpa.cli.tools.w_postanalysis_reweight.RWAverage(parent)
Bases:
RWStateProbs,RWRate- default_kinetics_file = 'reweight.h5'
- default_output_file = 'reweight.h5'
- description = 'A convenience function to run kinetics/probs. Bin assignments,\nincluding macrostate definitions, are required. (See\n"w_assign --help" for more information).\n\nFor more information on the individual subcommands this subs in for, run\nw_reweight {kinetics/probs} --help.\n\n-----------------------------------------------------------------------------\nCommand-line options\n-----------------------------------------------------------------------------\n'
- go()
- help_text = 'Averages and returns fluxes, rates, and color/state populations.'
- subcommand = 'average'
- class westpa.cli.tools.w_postanalysis_reweight.PAAverage(parent)
Bases:
RWAverage- subcommand = 'average'
- help_text = ''
- default_output_file = 'kinrw.h5'
- default_kinetics_file = 'flux_matrices.h5'
- class westpa.cli.tools.w_postanalysis_reweight.WReweight
Bases:
WESTMasterCommand,WESTParallelTool- prog = 'w_postanalysis_reweight'
- subcommands = [<class 'westpa.cli.tools.w_postanalysis_reweight.PAAverage'>]
- subparsers_title = 'calculate state-to-state kinetics by tracing trajectories'
- description = 'A convenience function to run kinetics/probs. Bin assignments,\nincluding macrostate definitions, are required. (See\n"w_assign --help" for more information).\n\nFor more information on the individual subcommands this subs in for, run\nw_reweight {kinetics/probs} --help.\n\n-----------------------------------------------------------------------------\nCommand-line options\n-----------------------------------------------------------------------------\n'
- westpa.cli.tools.w_postanalysis_reweight.entry_point()