zebra/pyzebra
3
0
Fork 0
Code Issues Pull Requests Actions Packages Projects Releases Wiki Activity

Move indices from metadata to scan data

Browse Source
This commit is contained in:
usov_i 2021-01-06 11:36:48 +01:00
parent cd1e5c42c0
commit d42a53ed47
1 changed files with 7 additions and 9 deletions
Show Stats Download Patch File Download Diff File Expand all files Collapse all files

16
pyzebra/ccl_io.py
View File

@ -207,16 +207,14 @@ def parse_1D(fileobj, data_type):
else: else:
print("Unknown file extention") print("Unknown file extention")
# utility information
metadata["indices"] = []
for s in scan.values(): for s in scan.values():
if s["h_index"].is_integer() and s["k_index"].is_integer() and s["l_index"].is_integer(): if s["h_index"].is_integer() and s["k_index"].is_integer() and s["l_index"].is_integer():
s["h_index"] = int(s["h_index"]) s["h_index"] = int(s["h_index"])
s["k_index"] = int(s["k_index"]) s["k_index"] = int(s["k_index"])
s["l_index"] = int(s["l_index"]) s["l_index"] = int(s["l_index"])
metadata["indices"].append("hkl") s["indices"] = "hkl"
else: else:
metadata["indices"].append("real") s["indices"] = "real"
metadata["data_type"] = data_type metadata["data_type"] = data_type
metadata["area_method"] = AREA_METHODS[0] metadata["area_method"] = AREA_METHODS[0]
@ -233,7 +231,7 @@ def export_1D(data, path, lorentz=False, hkl_precision=2):
zebra_mode = data["meta"]["zebra_mode"] zebra_mode = data["meta"]["zebra_mode"]
file_content = {".comm": [], ".incomm": []} file_content = {".comm": [], ".incomm": []}
for (key, scan), indices in zip(data["scan"].items(), data["meta"]["indices"]): for key, scan in data["scan"].items():
if "fit" not in scan: if "fit" not in scan:
print("Scan skipped - no fit value for:", key) print("Scan skipped - no fit value for:", key)
continue continue
@ -241,9 +239,9 @@ def export_1D(data, path, lorentz=False, hkl_precision=2):
scan_str = f"{key:6}" scan_str = f"{key:6}"
h, k, l = scan["h_index"], scan["k_index"], scan["l_index"] h, k, l = scan["h_index"], scan["k_index"], scan["l_index"]
if indices == "hkl": if scan["indices"] == "hkl":
hkl_str = f"{h:6}{k:6}{l:6}" hkl_str = f"{h:6}{k:6}{l:6}"
else: # indices == "real" else: # scan["indices"] == "real"
hkl_str = f"{h:8.{hkl_precision}f}{k:8.{hkl_precision}f}{l:8.{hkl_precision}f}" hkl_str = f"{h:8.{hkl_precision}f}{k:8.{hkl_precision}f}{l:8.{hkl_precision}f}"
area_method = data["meta"]["area_method"] area_method = data["meta"]["area_method"]
@ -269,8 +267,8 @@ def export_1D(data, path, lorentz=False, hkl_precision=2):
for angle, _ in CCL_ANGLES[zebra_mode]: for angle, _ in CCL_ANGLES[zebra_mode]:
ang_str = ang_str + f"{scan[angle]:8}" ang_str = ang_str + f"{scan[angle]:8}"
file_content_ref = file_content[".comm"] if indices == "hkl" else file_content[".incomm"] ref = file_content[".comm"] if scan["indices"] == "hkl" else file_content[".incomm"]
file_content_ref.append(scan_str + hkl_str + area_str + ang_str + "\n") ref.append(scan_str + hkl_str + area_str + ang_str + "\n")
for ext, content in file_content.items(): for ext, content in file_content.items():
if content: if content: