sample

Import: hklpy2.blocks.sample

A Crystalline Sample.

Sample(core, name, lattice)

A crystalline sample mounted on a diffractometer.

Module Contents

class hklpy2.blocks.sample.Sample(core: object, name: str, lattice: Lattice)

Import: hklpy2.blocks.sample.Sample

A crystalline sample mounted on a diffractometer.

Note

Internal use only.

It is expected this class is called from a method of Core, not directly by the user.

Python Methods

refine_lattice()	Refine the lattice parameters from 3 or more reflections.
_validate_matrices(value, name)	(internal) Validate U & UB matrices.

Python Properties

_asdict()	Describe the sample as a dictionary.
lattice	Sample crystal lattice.
name	Sample name.
reflections	Ordered dictionary of orientation reflections.
remove_reflection(name)	Remove the named reflection.
U	Return the matrix, U, crystal orientation on the diffractometer.
UB	Return the crystal orientation matrix, UB.
UB_is_stale	True iff the orientation reflections have changed since the last successful calc_UB for this sample.

property U: Matrix3x3

Return the matrix, U, crystal orientation on the diffractometer.

property UB: Matrix3x3

Return the crystal orientation matrix, UB.

• \(UB\) - orientation matrix

• \(B\) - crystal lattice on the diffractometer

• \(U\) - rotation matrix, relative orientation of crystal on diffractometer

property UB_is_stale: bool

True iff the orientation reflections have changed since the last successful calc_UB for this sample.

Returns False in any of these cases:

• calc_UB has not been called for this sample (no snapshot to compare against),

• the user has assigned U or UB directly (they have explicitly taken ownership of the matrix; the snapshot is cleared),

• the orientation reflections (reflections.order[:2] and their physics-relevant contents) are unchanged since the last calc_UB.

Returns True when order[:2] itself changes (reorder, prepend a new orienting reflection, remove an orienting one) or when an in-place mutation of one of the orienting reflections changes its pseudos, reals, wavelength, or unit fields. Reflections outside order[:2] do not affect staleness.

core

property digits: int

Sample crystal lattice.

property lattice: Lattice

Sample crystal lattice.

property name: str

Sample name.

refine_lattice() → None

Refine the lattice parameters from 3 or more reflections.

property reflections: ReflectionsDict

Ordered dictionary of orientation reflections.

remove_reflection(name: str) → None

Remove the named reflection.

hklpy2.blocks.sample.SampleDictType