cubic_prototype — DRIVE pxrd op

• Data kinds: any × scalar × any → table

• Call: import fullseye as fs; fs.ledger.cubic_prototype(kind, a, species, b_iso=0.5, name=None) (to call the implementation directly, import pxrd; pxrd.cubic_prototype(kind, a, species, b_iso=0.5, name=None); from the registry, opsdrive.get("cubic_prototype"))

Usage

Builds a phase from a cubic prototype (sc, bcc, fcc, diamond, rocksalt, cscl, zincblende, fluorite).

How to build a phase when there is no CIF (textbook coordinates only). species is the list of scatterer names per sublattice (for rocksalt ["Na", "Cl"], for fluorite ["Ca", "F"] in this order = cation, anion). a [Å]; b_iso [Ų] is common to all atoms. The return value is a phase of the same form as cif_read.

Raises ValueError: misspelled prototype name, number of sublattices does not match the number of species, unknown element, a <= 0.

References (sample data, literature)

• Sample-data catalog (download URLs / licences) — 2-D uses skimage.data (BSD/public domain) plus synthetic images; 3-D lists download URLs for real data sources (Stanford, PDS, …).

• Operator provenance and references — the sources of the research/methods this op family came from.

• The canonical algorithm (author, year) and its uses are named in the family usage guide above.

Runnable examples (verified samples that actually call this op)

• poc_pxrd_phase_peel — py -3.11 examples/poc_pxrd_phase_peel.py

Ops the type connects to (they accept table as input)

course_layout · course_occupancy · course_contains · world_build · world_camera · world_move · lidar_scan · rss_longitudinal_same

Same category (pxrd)

cif_read · powder_reflections · scherrer_size · debye_ring_image · detector_two_theta · detector_calibrate · azimuthal_integrate · diffraction_peaks

*Provenance: pxrd.py — DRIVE operator registry. This per-op note is generated by tools/opdocs.py md (do not hand-edit).*

© 2026 Kazufumi Furuse — Fullseye operator documentation. Licensed under Apache-2.0.