Module parser 

Constants

NUMERIC_STACK_WIDTH

Length of the stack buffer of parse_line_of_range_f64_stack: the most columns an atom line has, which are x, y, z, the flag and the optional id (spec “Coordinates”).

Traits

LineStream

Functions

parse_charge_section

parse_declared_sections

Parses declared sections from a frame’s header metadata.

parse_displacement_section

Displacements: 3-vector per atom (Angstrom), same layout as velocities/forces.

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 NUMERIC_STACK_WIDTH 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_magmom_section

Magmoms: 3-vector per atom, same layout as velocities/forces.

parse_single_frame

Parses a complete frame from a .con file, including its header and atomic data.

parse_spin_section

parse_spread_section

Spreads: per-atom root-mean-square spread [sx, sy, sz] (Angstrom, each non-negative), same layout as velocities/forces.

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.