Control Analyzer Analysis

Control file analysis utilities.

This module provides helper functions for querying and retrieving parameters from a parsed ReaxFF control file via ControlHandler.

Typical use cases include:

- discovering available parameter sections
- listing available control keys
- retrieving parameter values with safe defaults

get_control_data(handler, key, section=None, default=None)

Retrieve a control-file parameter value by key, optionally restricted to a section.

Works on

ControlHandler (control)

Parameters:

Name	Type	Description	Default
handler	ControlHandler	Parsed control file handler.	required
key	str	Parameter name (case-insensitive).	required
section	str	Section to search (one of: "general", "md", "mm", "ff", "outdated"). If None, all sections are searched in order.	None
default	any	Value to return if the key is not found.	None

Returns:

Type	Description
any	The parameter value if found; otherwise default.

Examples:

>>> from reaxkit.io.handlers.control_handler import ControlHandler
>>> from reaxkit.analysis.per_file.control_analyzer import get_control_data
>>> h = ControlHandler("control")
>>> tstep = get_control_data(h, "tstep", section="md", default=None)