Updated load_1D.py #63
170
pyzebra/load_1D.py
Normal file
170
pyzebra/load_1D.py
Normal file
@ -0,0 +1,170 @@
|
|||||||
|
import re
|
||||||
|
import numpy as np
|
||||||
|
from decimal import Decimal
|
||||||
|
|
||||||
|
META_VARS_STR = (
|
||||||
|
"instrument",
|
||||||
|
"title",
|
||||||
|
"sample",
|
||||||
|
"user",
|
||||||
|
"ProposalID",
|
||||||
|
"original_filename",
|
||||||
|
"date",
|
||||||
|
"zebra_mode",
|
||||||
|
"proposal",
|
||||||
|
"proposal_user",
|
||||||
|
"proposal_title",
|
||||||
|
"proposal_email",
|
||||||
|
)
|
||||||
|
META_VARS_FLOAT = (
|
||||||
|
"mf",
|
||||||
|
"2-theta",
|
||||||
|
"chi",
|
||||||
|
"phi",
|
||||||
|
"nu",
|
||||||
|
"temp",
|
||||||
|
"wavelenght",
|
||||||
|
"a",
|
||||||
|
"b",
|
||||||
|
"c",
|
||||||
|
"alpha",
|
||||||
|
"beta",
|
||||||
|
"gamma",
|
||||||
|
"cex1",
|
||||||
|
"cex2",
|
||||||
|
"mexz",
|
||||||
|
"moml",
|
||||||
|
"mcvl",
|
||||||
|
"momu",
|
||||||
|
"mcvu",
|
||||||
|
"detectorDistance",
|
||||||
|
"snv",
|
||||||
|
"snh",
|
||||||
|
"snvm",
|
||||||
|
"snhm",
|
||||||
|
"s1vt",
|
||||||
|
"s1vb",
|
||||||
|
"s1hr",
|
||||||
|
"s1hl",
|
||||||
|
"s2vt",
|
||||||
|
"s2vb",
|
||||||
|
"s2hr",
|
||||||
|
"s2hl",
|
||||||
|
)
|
||||||
|
META_UB_MATRIX = ("ub1j", "ub2j", "ub3j")
|
||||||
|
|
||||||
|
|
||||||
|
def load_1D(filepath):
|
||||||
|
"""
|
||||||
|
Loads *.ccl or *.dat file (Distinguishes them based on last 3 chars in string of filepath
|
||||||
|
to add more variables to read, extend the elif list
|
||||||
|
the file must include '#data' and number of points in right place to work properly
|
||||||
|
|
||||||
|
:arg filepath
|
||||||
|
:returns det_variables
|
||||||
|
- dictionary of all detector/scan variables and dictinionary for every measurement.
|
||||||
|
Names of these dictionaries are M + measurement number. They include HKL indeces, angles,
|
||||||
|
monitors, stepsize and array of counts
|
||||||
|
"""
|
||||||
|
det_variables = {"file_type": str(filepath)[-3:], "meta": {}}
|
||||||
|
with open(filepath, "r") as infile:
|
||||||
|
for line in infile:
|
||||||
|
det_variables["Measurements"] = {}
|
||||||
|
if "=" in line:
|
||||||
|
variable, value = line.split("=")
|
||||||
|
variable = variable.strip()
|
||||||
|
if variable in META_VARS_FLOAT:
|
||||||
|
det_variables["meta"][variable] = float(value)
|
||||||
|
elif variable in META_VARS_STR:
|
||||||
|
det_variables["meta"][variable] = str(value)[:-1].strip()
|
||||||
|
elif variable in META_UB_MATRIX:
|
||||||
|
det_variables["meta"][variable] = re.findall(r"[-+]?\d*\.\d+|\d+", str(value))
|
||||||
|
|
||||||
|
elif "#data" in line:
|
||||||
|
if det_variables["file_type"] == "ccl":
|
||||||
|
decimal = list()
|
||||||
|
data = infile.readlines()
|
||||||
|
position = -1
|
||||||
|
for lines in data:
|
||||||
|
position = position + 1
|
||||||
|
if (
|
||||||
|
bool(re.match("(\s\s\s\d)", lines[0:4])) == True
|
||||||
|
or bool(re.match("(\s\s\d\d)", lines[0:4])) == True
|
||||||
|
or bool(re.match("(\s\d\d\d)", lines[0:4])) == True
|
||||||
|
or bool(re.match("(\d\d\d\d)", lines[0:4])) == True
|
||||||
|
):
|
||||||
|
counts = []
|
||||||
|
measurement_number = int(lines.split()[0])
|
||||||
|
d = {}
|
||||||
|
d["h_index"] = float(lines.split()[1])
|
||||||
|
decimal.append(bool(Decimal(d["h_index"]) % 1 == 0))
|
||||||
|
d["k_index"] = float(lines.split()[2])
|
||||||
|
decimal.append(bool(Decimal(d["k_index"]) % 1 == 0))
|
||||||
|
d["l_index"] = float(lines.split()[3])
|
||||||
|
decimal.append(bool(Decimal(d["l_index"]) % 1 == 0))
|
||||||
|
if det_variables["meta"]["zebra_mode"] == "bi":
|
||||||
|
d["twotheta_angle"] = float(lines.split()[4]) # gamma
|
||||||
|
d["omega_angle"] = float(lines.split()[5]) # omega
|
||||||
|
d["chi_angle"] = float(lines.split()[6]) # nu
|
||||||
|
d["phi_angle"] = float(lines.split()[7]) # doesnt matter
|
||||||
|
elif det_variables["meta"]["zebra_mode"] == "nb":
|
||||||
|
d["gamma_angle"] = float(lines.split()[4]) # gamma
|
||||||
|
d["omega_angle"] = float(lines.split()[5]) # omega
|
||||||
|
d["nu_angle"] = float(lines.split()[6]) # nu
|
||||||
|
|
||||||
|
next_line = data[position + 1]
|
||||||
|
d["number_of_measurements"] = int(next_line.split()[0])
|
||||||
|
d["angle_step"] = float(next_line.split()[1])
|
||||||
|
d["monitor"] = float(next_line.split()[2])
|
||||||
|
d["unkwn1"] = float(next_line.split()[3])
|
||||||
|
d["unkwn2"] = float(next_line.split()[4])
|
||||||
|
d["date"] = str(next_line.split()[5])
|
||||||
|
d["time"] = str(next_line.split()[6])
|
||||||
|
d["scan_type"] = str(next_line.split()[7])
|
||||||
|
for i in range(
|
||||||
|
int(int(next_line.split()[0]) / 10)
|
||||||
|
+ (int(next_line.split()[0]) % 10 > 0)
|
||||||
|
):
|
||||||
|
fileline = data[position + 2 + i].split()
|
||||||
|
numbers = [int(w) for w in fileline]
|
||||||
|
counts = counts + numbers
|
||||||
|
d["omega"] = np.linspace(
|
||||||
|
float(lines.split()[5])
|
||||||
|
- (int(next_line.split()[0]) / 2) * float(next_line.split()[1]),
|
||||||
|
float(lines.split()[5])
|
||||||
|
+ (int(next_line.split()[0]) / 2) * float(next_line.split()[1]),
|
||||||
|
int(next_line.split()[0]),
|
||||||
|
)
|
||||||
|
d["counts"] = counts
|
||||||
|
det_variables["Measurements"][str("M" + str(measurement_number))] = d
|
||||||
|
|
||||||
|
elif det_variables["file_type"] == "dat":
|
||||||
|
data = infile.readlines()
|
||||||
|
num_of_points = int(data[1].split()[0])
|
||||||
|
omega = []
|
||||||
|
counts = []
|
||||||
|
monitor1 = []
|
||||||
|
monitor2 = []
|
||||||
|
monitor3 = []
|
||||||
|
time = []
|
||||||
|
for position in range(num_of_points):
|
||||||
|
omega.append(float(data[position + 3].split()[1]))
|
||||||
|
counts.append(float(data[position + 3].split()[2]))
|
||||||
|
monitor1.append(float(data[position + 3].split()[3]))
|
||||||
|
monitor2.append(float(data[position + 3].split()[4]))
|
||||||
|
monitor3.append(float(data[position + 3].split()[5]))
|
||||||
|
time.append(float(data[position + 3].split()[6]))
|
||||||
|
det_variables["Measurements"]["omega"] = omega
|
||||||
|
det_variables["Measurements"]["counts"] = counts
|
||||||
|
det_variables["Measurements"]["Monitor1"] = monitor1
|
||||||
|
det_variables["Measurements"]["Monitor2"] = monitor2
|
||||||
|
det_variables["Measurements"]["Monitor3"] = monitor3
|
||||||
|
det_variables["Measurements"]["time"] = time
|
||||||
|
else:
|
||||||
|
print("Unknown file extention")
|
||||||
|
if all(decimal):
|
||||||
|
det_variables["meta"]["indices"] = "hkl"
|
||||||
|
else:
|
||||||
|
det_variables["meta"]["indices"] = "real"
|
||||||
|
|
||||||
|
return det_variables
|
||||||
Loading…
x
Reference in New Issue
Block a user