SPEC commands in hklpy2#

Make it easier for users (especially SPEC users) to learn and remember the tools in Bluesky’s hklpy2 package.

Quick Reference Table

SPEC

hklpy2

description

set_diffractometer()

Select the default diffractometer.

pa

pa()

Report (full) diffractometer settings. (pa: print all)

wh

wh()

Report (brief) diffractometer settings. (wh: where)

br h k l

diffractometer.move(h, k, l)

(command line) Move motors of diffractometer to the given \(h, k, l\).

br h k l

yield from bps.mv(diffractometer, (h, k, l))

(bluesky plan) Move motors of diffractometer to the given \(h, k, l\).

ca h k l

cahkl()

Prints calculated motor settings for the given \(h, k, l\).

or_swap

or_swap()

Exchange primary & secondary orientation reflections.

or0

setor()

Define a crystal reflection and its motor positions.

or1

setor()

Define a crystal reflection and its motor positions.

reflex

refine_lattice()

Refinement of lattice parameters from list of 3 or more reflections

reflex_beg

not necessary

Initializes the reflections file

reflex_end

not necessary

Closes the reflections file

setlat

lattice()

Update current sample lattice.

setmode

diffractometer.core.solver.mode = "psi_constant

Set the diffractometer mode for the forward() computation.

diffractometer.core.constraints

Show the current set of constraints (cut points).

cuts

lattice()

Add constraints to the diffractometer forward() computation.

freeze

lattice()

Hold an axis constant during the diffractometer forward() computation.

unfreeze

lattice()

Undo the most-recent constraints applied.

calc_UB()

Compute the UB matrix with two reflections.

diffractometer.sample = "vibranium"

Pick a known sample to be the current selection.

diffractometer.samples

List all defined crystal samples.

add_sample()

Define a new crystal sample.

setaz h k l

extras()

Set the azimuthal reference vector to the given \(h, k, l\).

setsector

TODO:

Select a sector.

cz

TODO:

Calculate zone from two reflections

mz

TODO:

Move zone

pl

TODO:

Set the scattering plane

sz

TODO:

Set zone