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)

setmode

diffractometer.core.mode = "psi_constant

Set the diffractometer mode for the forward() computation.

–

diffractometer.core.modes

List all available diffractometer modes.

–

add_sample()

Define a new crystal sample.

setlat

lattice()

Update current sample lattice.

–

diffractometer.sample = "vibranium"

Pick a known sample to be the current selection.

–

diffractometer.samples

List all defined crystal samples.

or0

setor()

Define a crystal reflection and its motor positions.

or1

setor()

Define a crystal reflection and its motor positions.

or_swap

or_swap()

Exchange primary & secondary orientation reflections.

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 \(h, k, l\).

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

–

diffractometer.core.constraints

Show the current set of constraints (cut points).

cuts

See LimitsConstraint()

Add constraints to the diffractometer forward() computation.

freeze

Move axis to value, Choose mode that does not update axis.

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

unfreeze

Choose mode that updates axis.

Allow axis to be updated by forward() computation.

–

calc_UB()

Compute the UB matrix with two reflections.

setaz h k l

extras

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

setsector

Not yet implemented.

Select a sector.

cz

Not yet implemented.

Calculate zone from two reflections

mz

Not yet implemented.

Move zone

pl

Not yet implemented.

Set the scattering plane

sz

Not yet implemented.

Set zone