Traits§
- Line
Stream - Line source with peek for section detection (blank-line separators).
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
.confile 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
minandmaxvalues (inclusive). Returns a vector of exactlymaxelements, padding with values fromdefaultswhen fewer thanmaxare 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]fromdefaultswhenfound < maxandfound >= min. - parse_
magmom_ section - Magmoms: 3-vector per atom, same layout as velocities/forces.
- parse_
single_ frame - Parses a complete frame from a
.confile, including its header and atomic data. - parse_
spin_ section - 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.