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