Module parser

Functions§

parse_declared_sections: Parses declared sections from a frame’s header metadata.
parse_energy_section: Attempts to parse an energies section following coordinate (and optional velocity / force) blocks.
parse_force_section: Attempts to parse a force section following coordinate (and optional velocity) blocks.
parse_frame_header: Parses the 9-line header of a .con file frame from an iterator.
parse_line_of_n: Parses a line of whitespace-separated values into a vector of a specific type.
parse_line_of_n_f64: Parses a line of whitespace-separated f64 values using fast-float2.
parse_line_of_range_f64: Parses a line of whitespace-separated f64 values, accepting between min and max values (inclusive). Returns a vector of exactly max elements, padding with values from defaults when fewer than max are present.
parse_line_of_range_f64_stack: Hot-path: parse up to 5 whitespace-separated f64s into a stack buffer. Returns count of tokens actually present (before padding). Pads out[found..max] from defaults when found < max and found >= min.
parse_single_frame: Parses a complete frame from a .con file, including its header and atomic data.
parse_velocity_section: Attempts to parse an optional velocity section following coordinate blocks.
validate_metadata_schema: Validates a parsed metadata JSON object against the spec v2 schema.