Cli

cli_westpa_config()

Command-line interface for generating a WESTPA configuration file.

This function provides a CLI for the run_westpa_config function, allowing users to generate and save a WESTPA configuration file by specifying the file name, save directory, and paths to YAML files for updating the configuration parameters.

PARAMETER	DESCRIPTION
--name	The name of the output configuration file including the file extension.
--save_dir	The directory where the configuration file will be saved.
--yaml	One or more paths to YAML files from which to update the configuration parameters. These are processed in decreasing precedence order.

Example

Run this function from the command line with the desired arguments, for example:

sp_westpa_config --name my_config.cfg --save_dir /path/to/save --yaml config1.yaml config2.yaml

This will generate a configuration file named "my_config.cfg" in the specified directory, updated with parameters from "config1.yaml" and "config2.yaml".

run_westpa_config(westpa_config=None, file_name='west.cfg', save_dir=None, yaml_paths=None)

Run the WestpaConfig configuration process.

PARAMETER	DESCRIPTION
westpa_config	An instance of WestpaConfig. If None, a default instance will be initialized. TYPE: WestpaConfig | None DEFAULT: None
file_name	The name of the output file. Default is 'west.cfg'. TYPE: str DEFAULT: 'west.cfg'
save_dir	The directory where the output file will be saved. If None, the current directory will be used. TYPE: str | None DEFAULT: None
yaml_paths	A sequence of YAML file paths to update the configuration parameters from. TYPE: Sequence[str] | None DEFAULT: None

RETURNS	DESCRIPTION
None	This function does not return anything. TYPE: None