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Add jana output format

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Fix #29
This commit is contained in:
usov_i 2021-05-25 14:56:48 +02:00
parent a3e3e6768f
commit 3fe4fca96a
3 changed files with 44 additions and 14 deletions
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30
pyzebra/app/panel_ccl_integrate.py
View File

@ -43,6 +43,7 @@ from bokeh.models import (
)
import pyzebra
from pyzebra.ccl_io import EXPORT_TARGETS
from pyzebra.ccl_process import AREA_METHODS
@ -57,7 +58,7 @@ for (let i = 0; i < js_data.data['fname'].length; i++) {
document.body.appendChild(link);
const url = window.URL.createObjectURL(blob);
link.href = url;
link.download = js_data.data['fname'][i];
link.download = js_data.data['fname'][i] + js_data.data['ext'][i];
link.click();
window.URL.revokeObjectURL(url);
document.body.removeChild(link);
@ -71,7 +72,7 @@ for (let i = 0; i < js_data.data['fname'].length; i++) {
def create():
det_data = {}
fit_params = {}
js_data = ColumnDataSource(data=dict(content=["", ""], fname=["", ""]))
js_data = ColumnDataSource(data=dict(content=["", ""], fname=["", ""], ext=["", ""]))
def proposal_textinput_callback(_attr, _old, new):
proposal = new.strip()
@ -118,7 +119,7 @@ def create():
det_data = pyzebra.parse_1D(file, ext)
pyzebra.normalize_dataset(det_data, monitor_spinner.value)
pyzebra.merge_duplicates(det_data)
js_data.data.update(fname=[base + ".comm", base + ".incomm"])
js_data.data.update(fname=[base, base])
_init_datatable()
@ -153,7 +154,7 @@ def create():
det_data = pyzebra.parse_1D(file, ext)
pyzebra.normalize_dataset(det_data, monitor_spinner.value)
pyzebra.merge_duplicates(det_data)
js_data.data.update(fname=[base + ".comm", base + ".incomm"])
js_data.data.update(fname=[base, base])
_init_datatable()
@ -511,12 +512,15 @@ def create():
export_data.append(s)
pyzebra.export_1D(
export_data, temp_file, hkl_precision=int(hkl_precision_select.value),
export_data,
temp_file,
export_target_select.value,
hkl_precision=int(hkl_precision_select.value),
)
exported_content = ""
file_content = []
for ext in (".comm", ".incomm"):
for ext in EXPORT_TARGETS[export_target_select.value]:
fname = temp_file + ext
if os.path.isfile(fname):
with open(fname) as f:
@ -529,6 +533,16 @@ def create():
js_data.data.update(content=file_content)
export_preview_textinput.value = exported_content
def export_target_select_callback(_attr, _old, new):
js_data.data.update(ext=EXPORT_TARGETS[new])
_update_preview()
export_target_select = Select(
title="Export target:", options=list(EXPORT_TARGETS.keys()), value="fullprof", width=80
)
export_target_select.on_change("value", export_target_select_callback)
js_data.data.update(ext=EXPORT_TARGETS[export_target_select.value])
def hkl_precision_select_callback(_attr, _old, _new):
_update_preview()
@ -569,7 +583,9 @@ def create():
export_layout = column(
export_preview_textinput,
row(hkl_precision_select, column(Spacer(height=19), row(save_button))),
row(
export_target_select, hkl_precision_select, column(Spacer(height=19), row(save_button))
),
)
tab_layout = column(

2
pyzebra/app/panel_param_study.py
View File

@ -600,7 +600,7 @@ def create():
if export:
export_data.append(s)
pyzebra.export_1D(export_data, temp_file)
pyzebra.export_1D(export_data, temp_file, "fullprof")
exported_content = ""
file_content = []

26
pyzebra/ccl_io.py
View File

@ -76,6 +76,8 @@ CCL_SECOND_LINE = (
("scan_motor", str),
)
EXPORT_TARGETS = {"fullprof": (".comm", ".incomm"), "jana": (".col", ".incol")}
def load_1D(filepath):
"""
@ -241,14 +243,19 @@ def parse_1D(fileobj, data_type):
return scan
def export_1D(data, path, hkl_precision=2):
"""Exports data in the .comm/.incomm format
def export_1D(data, path, export_target, hkl_precision=2):
"""Exports data in the .comm/.incomm format for fullprof or .col/.incol format for jana.
Scans with integer/real hkl values are saved in .comm/.incomm files correspondingly. If no scans
are present for a particular output format, that file won't be created.
Scans with integer/real hkl values are saved in .comm/.incomm or .col/.incol files
correspondingly. If no scans are present for a particular output format, that file won't be
created.
"""
if export_target not in EXPORT_TARGETS:
raise ValueError(f"Unknown export target: {export_target}.")
zebra_mode = data[0]["zebra_mode"]
file_content = {".comm": [], ".incomm": []}
exts = EXPORT_TARGETS[export_target]
file_content = {ext: [] for ext in exts}
for scan in data:
if "fit" not in scan:
@ -272,9 +279,16 @@ def export_1D(data, path, hkl_precision=2):
angle_center = (np.min(scan[angle]) + np.max(scan[angle])) / 2
else:
angle_center = scan[angle]
if angle == "twotheta" and export_target == "jana":
angle_center /= 2
ang_str = ang_str + f"{angle_center:8g}"
ref = file_content[".comm"] if hkl_are_integers else file_content[".incomm"]
if export_target == "jana":
ang_str = ang_str + f"{scan['temp']:8}" + f"{scan['monitor']:8}"
ref = file_content[exts[0]] if hkl_are_integers else file_content[exts[1]]
ref.append(idx_str + hkl_str + area_str + ang_str + "\n")
for ext, content in file_content.items():