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Add ability to load cif data

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This commit is contained in:
usov_i
2022-04-12 12:05:42 +02:00
parent 4131eb31e7
commit 94df4869d4
2 changed files with 77 additions and 6 deletions
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27
pyzebra/app/panel_ccl_prepare.py
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@ -23,6 +23,8 @@ import pyzebra
def create():
cif_data = None
anglim_div = Div(text="Angular min/max limits:")
sttgamma_ti = TextInput(title="stt/gamma", width=100)
omega_ti = TextInput(title="omega", width=100)
@ -40,12 +42,18 @@ def create():
phi_ti.value = " ".join(ang_lims["phi"][:2])
def _update_params(params):
wavelen_input.value = float(params["WAVE"])
cryst_space_group.value = params["SPGR"]
cryst_cell.value = params["CELL"]
ub_matrix.value = " ".join(params["UBMAT"])
ranges_hkl.value = params["HLIM"]
ranges_expression.value = params["SRANG"]
if "WAVE" in params:
wavelen_input.value = float(params["WAVE"])
if "SPGR" in params:
cryst_space_group.value = params["SPGR"]
if "CELL" in params:
cryst_cell.value = params["CELL"]
if "UBMAT" in params:
ub_matrix.value = " ".join(params["UBMAT"])
if "HLIM" in params:
ranges_hkl.value = params["HLIM"]
if "SRANG" in params:
ranges_expression.value = params["SRANG"]
def open_geom_callback(_attr, _old, new):
with io.StringIO(base64.b64decode(new).decode()) as fileobj:
@ -63,8 +71,15 @@ def create():
open_cfl = FileInput(accept=".cfl", width=200)
open_cfl.on_change("value", open_cfl_callback)
def open_cif_callback(_attr, _old, new):
nonlocal cif_data
with io.StringIO(base64.b64decode(new).decode()) as fileobj:
cif_data = pyzebra.read_cif_file(fileobj)
_update_params(cif_data)
open_cif_div = Div(text="or open CIF:")
open_cif = FileInput(accept=".cif", width=200)
open_cif.on_change("value", open_cif_callback)
wavelen_input = NumericInput(title="\u200B", width=70, mode="float")