Control Handler

ReaxFF control file handler.

This module provides a handler for parsing ReaxFF control input files into a normalized tabular representation, exposing simulation parameters and metadata in a structured and programmatic form.

Typical use cases include:

reading time step and MD parameters
converting iteration indices to physical time
inspecting or validating simulation settings

`ControlHandler`

Bases: BaseHandler

Parser for ReaxFF control input files.

This class parses ReaxFF control files and exposes simulation parameters as structured tabular data, while also providing backward-compatible per-section dictionaries for common access patterns.

Parsed Data

Summary table One row per control parameter, returned by dataframe(), with columns: ["section", "key", "value", "inline_comment"]

Sections are normalized to:
["general", "md", "mm", "ff", "outdated"]

Metadata Returned by metadata(), containing counts of parameters per section: ["n_general", "n_md", "n_mm", "n_ff", "n_outdated"]

Attributes:

Name	Type	Description
`general_parameters`	`dict`	Parameters from the `general` section.
`md_parameters`	`dict`	Parameters from the `md` section.
`mm_parameters`	`dict`	Parameters from the `mm` section.
`ff_parameters`	`dict`	Parameters from the `ff` section.
`outdated_parameters`	`dict`	Parameters from the `outdated` section.

Notes

Numeric values are converted to int or float when possible.
Parsing is performed eagerly on initialization to populate section dicts.
Content before the first recognized section header is ignored.