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Add parse_1D function

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This commit is contained in:
usov_i 2020-09-16 16:22:17 +02:00
parent 2f4e097a68
commit 321e3e83a4
1 changed files with 108 additions and 99 deletions
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51
pyzebra/load_1D.py
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@ -1,3 +1,4 @@
import os
import re import re
from collections import defaultdict from collections import defaultdict
from decimal import Decimal from decimal import Decimal
@ -68,29 +69,36 @@ def load_1D(filepath):
Names of these dictionaries are M + measurement number. They include HKL indeces, angles, Names of these dictionaries are M + measurement number. They include HKL indeces, angles,
monitors, stepsize and array of counts monitors, stepsize and array of counts
""" """
det_variables = {"file_type": str(filepath)[-3:], "meta": {}}
with open(filepath, "r") as infile: with open(filepath, "r") as infile:
_, ext = os.path.splitext(filepath)
det_variables = parse_1D(infile, data_type=ext)
return det_variables
def parse_1D(fileobj, data_type):
# read metadata # read metadata
for line in infile: metadata = {}
det_variables["Measurements"] = {} for line in fileobj:
if "=" in line: if "=" in line:
variable, value = line.split("=") variable, value = line.split("=")
variable = variable.strip() variable = variable.strip()
if variable in META_VARS_FLOAT: if variable in META_VARS_FLOAT:
det_variables["meta"][variable] = float(value) metadata[variable] = float(value)
elif variable in META_VARS_STR: elif variable in META_VARS_STR:
det_variables["meta"][variable] = str(value)[:-1].strip() metadata[variable] = str(value)[:-1].strip()
elif variable in META_UB_MATRIX: elif variable in META_UB_MATRIX:
det_variables["meta"][variable] = re.findall(r"[-+]?\d*\.\d+|\d+", str(value)) metadata[variable] = re.findall(r"[-+]?\d*\.\d+|\d+", str(value))
if "#data" in line: if "#data" in line:
# this is the end of metadata and the start of data section # this is the end of metadata and the start of data section
break break
# read data # read data
if det_variables["file_type"] == "ccl": if data_type == ".ccl":
measurements = {}
decimal = list() decimal = list()
data = infile.readlines() data = fileobj.readlines()
position = -1 position = -1
for lines in data: for lines in data:
position = position + 1 position = position + 1
@ -109,12 +117,12 @@ def load_1D(filepath):
decimal.append(bool(Decimal(d["k_index"]) % 1 == 0)) decimal.append(bool(Decimal(d["k_index"]) % 1 == 0))
d["l_index"] = float(lines.split()[3]) d["l_index"] = float(lines.split()[3])
decimal.append(bool(Decimal(d["l_index"]) % 1 == 0)) decimal.append(bool(Decimal(d["l_index"]) % 1 == 0))
if det_variables["meta"]["zebra_mode"] == "bi": if metadata["zebra_mode"] == "bi":
d["twotheta_angle"] = float(lines.split()[4]) # gamma d["twotheta_angle"] = float(lines.split()[4]) # gamma
d["omega_angle"] = float(lines.split()[5]) # omega d["omega_angle"] = float(lines.split()[5]) # omega
d["chi_angle"] = float(lines.split()[6]) # nu d["chi_angle"] = float(lines.split()[6]) # nu
d["phi_angle"] = float(lines.split()[7]) # doesnt matter d["phi_angle"] = float(lines.split()[7]) # doesnt matter
elif det_variables["meta"]["zebra_mode"] == "nb": elif metadata["zebra_mode"] == "nb":
d["gamma_angle"] = float(lines.split()[4]) # gamma d["gamma_angle"] = float(lines.split()[4]) # gamma
d["omega_angle"] = float(lines.split()[5]) # omega d["omega_angle"] = float(lines.split()[5]) # omega
d["nu_angle"] = float(lines.split()[6]) # nu d["nu_angle"] = float(lines.split()[6]) # nu
@ -143,30 +151,31 @@ def load_1D(filepath):
int(next_line.split()[0]), int(next_line.split()[0]),
) )
d["Counts"] = counts d["Counts"] = counts
det_variables["Measurements"][str("M" + str(measurement_number))] = d measurements[str("M" + str(measurement_number))] = d
if all(decimal): if all(decimal):
det_variables["meta"]["indices"] = "hkl" metadata["indices"] = "hkl"
else: else:
det_variables["meta"]["indices"] = "real" metadata["indices"] = "real"
elif det_variables["file_type"] == "dat": elif data_type == ".dat":
# skip the first 2 rows, the third row contans the column names # skip the first 2 rows, the third row contans the column names
next(infile) next(fileobj)
next(infile) next(fileobj)
row_names = next(infile).split() col_names = next(fileobj).split()
data_cols = defaultdict(list) data_cols = defaultdict(list)
for line in infile: for line in fileobj:
if "END-OF-DATA" in line: if "END-OF-DATA" in line:
# this is the end of data # this is the end of data
break break
for name, val in zip(row_names, line.split()): for name, val in zip(col_names, line.split()):
data_cols[name].append(float(val)) data_cols[name].append(float(val))
det_variables["Measurements"] = dict(data_cols) measurements = dict(data_cols)
else: else:
print("Unknown file extention") print("Unknown file extention")
return det_variables return {"meta": metadata, "Measurements": measurements}