Closed prjemian closed 7 months ago
@strempfer: Is something like this what you had in mind?
Given a pathlib object (or other configuration data source):
print(agent.preview(path))
here is the output:
name: e4c
date: 2023-11-01 16:40
geometry: E4CV
Table of Samples
= ========= ========= ========= ========= ===== ==== ===== =====
# sample a b c alpha beta gamma #refl
= ========= ========= ========= ========= ===== ==== ===== =====
1 main 1.54 1.54 1.54 90.0 90.0 90.0 0
2 vibranium 6.2831853 6.2831853 6.2831853 90.0 90.0 90.0 3
= ========= ========= ========= ========= ===== ==== ===== =====
Could get more details (constraints & reflections):
print(agent.preview(path, show_constraints=True, show_reflections=True))
here is the output:
name: e4c
date: 2023-11-01 16:40
geometry: E4CV
Table of Samples
= ========= ========= ========= ========= ===== ==== ===== =====
# sample a b c alpha beta gamma #refl
= ========= ========= ========= ========= ===== ==== ===== =====
1 main 1.54 1.54 1.54 90.0 90.0 90.0 0
2 vibranium 6.2831853 6.2831853 6.2831853 90.0 90.0 90.0 3
= ========= ========= ========= ========= ===== ==== ===== =====
Table of Reflections for Sample: vibranium
= === === === ======== ==== ==== ======= ======= ==========
# h k l omega chi phi tth orient? wavelength
= === === === ======== ==== ==== ======= ======= ==========
1 4.0 0.0 0.0 -145.451 0.0 0.0 69.0966 1.54 False
2 0.0 4.0 0.0 -145.451 0.0 90.0 69.0966 1.54 True
3 0.0 0.0 4.0 -145.451 90.0 0.0 69.0966 1.54 True
= === === === ======== ==== ==== ======= ======= ==========
Table of Axis Constraints
===== ========= ========== ===== ====
axis low_limit high_limit value fit?
===== ========= ========== ===== ====
omega -100.0 100.0 0.0 True
chi -100.0 100.0 0.0 True
phi -100.0 100.0 0.0 True
tth -100.0 100.0 0.0 True
===== ========= ========== ===== ====
oops, swapped orient? and wavelength column titles
@strempfer asks: