Exceptions Utility

Custom exception types used throughout ReaxKit.

This module defines lightweight, domain-specific exceptions that allow ReaxKit workflows to distinguish between parsing failures and analysis failures, enabling clearer error reporting and recovery.

AnalysisError

Bases: Exception

Error raised when an analysis step fails.

This exception should be used for errors occurring after successful parsing, such as invalid data assumptions, numerical failures, or unsupported analysis configurations.

ParseError

Bases: Exception

Error raised when a ReaxFF file cannot be parsed correctly.

This exception is intended for failures occurring during file reading, tokenization, or structural interpretation of input or output files.