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Functions to load 1D data. They might change based on your remarks. I have very limited number of dat and ccl files to try it with, so when I get more, changes might happen.
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JakHolzer
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load_cclv2.py
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185
load_cclv2.py
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import re
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import numpy as np
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def load_cclv2(filepath):
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"""
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Loads *.ccl file
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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 within dictionary ["Measurements"].
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Names of these dictionaries are M + measurement number. They include HKL indeces, angles, monitors,
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stepsize and array of counts
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Structure of the dictionary:
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det_variables:
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instrument
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user
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...
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sdh1
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Measurements
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M1
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M2
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M3 {hkl, angles, number of points,..., [counts], [omega] }
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to get to counts: anyvariable["Measurements"]["M***"][counts]
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to ge to omega: anyvariable["Measurements"]["M***"][omega]
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"""
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try:
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variables = 'value'
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det_variables = {"variables": variables}
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with open(filepath, 'r') as infile:
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for line in infile:
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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 == 'instrument':
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det_variables["instrument"] = str(value)[:-1].strip()
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elif variable == 'title':
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det_variables["title"] = str(value)[:-1].strip()
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elif variable == 'sample':
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det_variables["sample"] = str(value)[:-1]
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elif variable == 'user':
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det_variables["user"] = str(value)[:-1].strip()
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elif variable == 'ProposalID':
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det_variables["ProposalID"] = str(value)[:-1].strip()
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elif variable == 'original_filename':
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det_variables["original_filename"] = str(value)[:-1].strip()
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elif variable == 'date':
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det_variables["date"] = str(value)[:-1].strip()
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elif variable == 'mf':
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det_variables["mf"] = float(value)
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elif variable == 'zebra_mode':
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det_variables["zebra_mode"] = str(value)[:-1].strip()
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elif variable == 'proposal':
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det_variables["proposal"] = str(value)[:-1].strip()
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elif variable == 'proposal_user':
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det_variables["proposal_user"] = str(value)[:-1].strip()
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elif variable == 'proposal_title':
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det_variables["proposal_title"] = str(value)[:-1].strip()
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elif variable == 'proposal_email':
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det_variables["proposal_email"] = str(value)[:-1].strip()
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# elif variable == 'omega':
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# det_variables["omega"] = float(value)
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elif variable == '2-theta':
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det_variables["2-theta"] = float(value)
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elif variable == 'chi':
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det_variables["chi"] = float(value)
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elif variable == 'phi':
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det_variables["phi"] = float(value)
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elif variable == 'nu':
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det_variables["nu"] = float(value)
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elif variable == 'temp':
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det_variables["temp"] = float(value)
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elif variable == 'wavelenght':
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det_variables["wavelength"] = float(value)
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elif variable == 'ub1j':
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det_variables["ub1"] = re.findall(r"[-+]?\d*\.\d+|\d+", str(value))
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elif variable == 'ub2j':
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det_variables["ub2"] = re.findall(r"[-+]?\d*\.\d+|\d+", str(value))
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elif variable == 'ub3j':
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det_variables["ub3"] = re.findall(r"[-+]?\d*\.\d+|\d+", str(value))
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elif variable == 'a':
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det_variables["lattice_par_a"] = float(value)
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elif variable == 'b':
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det_variables["lattice_par_b"] = float(value)
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elif variable == 'c':
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det_variables["lattice_par_c"] = float(value)
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elif variable == 'alpha':
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det_variables["lattice_ang_alpha"] = float(value)
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elif variable == 'beta':
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det_variables["lattice_ang_beta"] = float(value)
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elif variable == 'gamma':
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det_variables["lattice_ang_gamma"] = float(value)
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elif variable == 'cex1':
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det_variables["cex1"] = float(value)
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elif variable == 'cex2':
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det_variables["cex2"] = float(value)
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elif variable == 'mexz':
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det_variables["mexz"] = float(value)
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elif variable == 'moml':
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det_variables["moml"] = float(value)
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elif variable == 'mcvl':
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det_variables["mcvl"] = float(value)
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elif variable == 'momu':
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det_variables["momu"] = float(value)
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elif variable == 'mcvu':
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det_variables["mcvu"] = float(value)
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elif variable == 'detectorDistance':
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det_variables["detectorDistance"] = float(value)
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elif variable == 'snv':
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det_variables["snv"] = float(value)
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elif variable == 'snh':
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det_variables["snh"] = float(value)
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elif variable == 'snvm':
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det_variables["snvm"] = float(value)
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elif variable == 'snhm':
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det_variables["snhm"] = float(value)
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elif variable == 's1vt':
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det_variables["s1vt"] = float(value)
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elif variable == 's1vb':
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det_variables["s1vb"] = float(value)
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elif variable == 's1hr':
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det_variables["s1hr"] = float(value)
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elif variable == 's1hl':
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det_variables["s1hl"] = float(value)
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elif variable == 's2vt':
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det_variables["s2vt"] = float(value)
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elif variable == 's2vb':
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det_variables["s1vb"] = float(value)
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elif variable == 's2hr':
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det_variables["s1hr"] = float(value)
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elif variable == 's2hl':
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det_variables["s2hl"] = float(value)
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elif '#data' in line:
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det_variables["Measurements"] = {}
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data = infile.readlines()
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num_of_measurements = data.count('om')
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#print('Num of meas: ', num_of_measurements)
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num_of_om = 0
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position = - 1
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for line in data:
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position = position + 1
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if bool(re.match('(\s\s\s\d)', line[0:4])) == True or bool(re.match('(\s\s\d\d)', line[0:4])) == True or bool(re.match('(\s\d\d\d)', line[0:4])) == True or bool(re.match('(\d\d\d\d)', line[0:4])) == True:
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#print('matched value: ', line[0:4])
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counts = []
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num_of_om = num_of_om + 1
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measurement_number = int(line.split()[0])
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d = {}
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d["h_index"] = float(line.split()[1])
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d["k_index"] = float(line.split()[2])
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d["l_index"] = float(line.split()[3])
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d["twotheta_angle"] = float(line.split()[4])
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d["omega_angle"] = float(line.split()[5])
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d["chi_angle"] = float(line.split()[6])
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d["phi_angle"] = float(line.split()[7])
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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(int(int(next_line.split()[0]) / 10) + (int(next_line.split()[0]) % 10 > 0)):
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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(float(line.split()[5])-(int(next_line.split()[0])/2)* float(next_line.split()[1]),float(line.split()[5])+(int(next_line.split()[0])/2)* float(next_line.split()[1]), int(next_line.split()[0]))
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d["counts"] = (counts)
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det_variables["Measurements"][str('M'+ str(measurement_number))] = d
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return det_variables
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except IOError:
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print("File not found or path is incorrect")
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147
load_dat.py
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147
load_dat.py
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@ -0,0 +1,147 @@
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import re
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def load_dat(filepath):
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"""
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Loads *.dat file
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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 6 columns of data - omega, counts, monitor 1/2/3, time
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"""
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try:
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variables = 'value'
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det_variables = {"variables": variables}
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with open(filepath, 'r') as infile:
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for line in infile:
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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 == 'instrument':
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det_variables["instrument"] = str(value)[:-1].strip()
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elif variable == 'title':
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det_variables["title"] = str(value)[:-1].strip()
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elif variable == 'sample':
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det_variables["sample"] = str(value)[:-1]
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elif variable == 'user':
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det_variables["user"] = str(value)[:-1].strip()
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elif variable == 'ProposalID':
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det_variables["ProposalID"] = str(value)[:-1].strip()
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elif variable == 'original_filename':
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det_variables["original_filename"] = str(value)[:-1].strip()
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elif variable == 'date':
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det_variables["date"] = str(value)[:-1].strip()
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elif variable == 'proposal':
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det_variables["proposal"] = str(value)[:-1].strip()
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elif variable == 'proposal_user':
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det_variables["proposal_user"] = str(value)[:-1].strip()
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elif variable == 'proposal_title':
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det_variables["proposal_title"] = str(value)[:-1].strip()
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elif variable == 'proposal_email':
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det_variables["proposal_email"] = str(value)[:-1].strip()
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elif variable == 'zebra_mode':
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det_variables["zebra_mode"] = str(value)[:-1].strip()
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# elif variable == 'omega':
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# det_variables["omega"] = float(value)
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elif variable == '2-theta':
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det_variables["2-theta"] = float(value)
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elif variable == 'chi':
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det_variables["chi"] = float(value)
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elif variable == 'phi':
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det_variables["phi"] = float(value)
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elif variable == 'nu':
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det_variables["nu"] = float(value)
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elif variable == 'temp':
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det_variables["temp"] = float(value)
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elif variable == 'mf':
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det_variables["mf"] = float(value)
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elif variable == 'wavelenght':
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det_variables["wavelength"] = float(value)
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elif variable == 'ub1j':
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det_variables["ub1"] = re.findall(r"[-+]?\d*\.\d+|\d+", str(value))
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elif variable == 'ub2j':
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det_variables["ub2"] = re.findall(r"[-+]?\d*\.\d+|\d+", str(value))
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elif variable == 'ub3j':
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det_variables["ub3"] = re.findall(r"[-+]?\d*\.\d+|\d+", str(value))
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elif variable == 'a':
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det_variables["lattice_par_a"] = float(value)
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elif variable == 'b':
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det_variables["lattice_par_b"] = float(value)
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elif variable == 'c':
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det_variables["lattice_par_c"] = float(value)
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elif variable == 'alpha':
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det_variables["lattice_ang_alpha"] = float(value)
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elif variable == 'beta':
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det_variables["lattice_ang_beta"] = float(value)
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elif variable == 'gamma':
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det_variables["lattice_ang_gamma"] = float(value)
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elif variable == 'cex1':
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det_variables["cex1"] = float(value)
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elif variable == 'cex2':
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det_variables["cex2"] = float(value)
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elif variable == 'mexz':
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det_variables["mexz"] = float(value)
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elif variable == 'moml':
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det_variables["moml"] = float(value)
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elif variable == 'mcvl':
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det_variables["mcvl"] = float(value)
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elif variable == 'momu':
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det_variables["momu"] = float(value)
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elif variable == 'mcvu':
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det_variables["mcvu"] = float(value)
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elif variable == 'detectorDistance':
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det_variables["detectorDistance"] = str(value)
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elif variable == 'snv':
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det_variables["snv"] = float(value)
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elif variable == 'snh':
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det_variables["snh"] = float(value)
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elif variable == 'snvm':
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det_variables["snvm"] = float(value)
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elif variable == 'snhm':
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det_variables["snhm"] = float(value)
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elif variable == 's1vt':
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det_variables["s1vt"] = float(value)
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elif variable == 's1vb':
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det_variables["s1vb"] = float(value)
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elif variable == 's1hr':
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det_variables["s1hr"] = float(value)
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elif variable == 's1hl':
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det_variables["s1hl"] = float(value)
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elif variable == 's2vt':
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det_variables["s2vt"] = float(value)
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elif variable == 's2vb':
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det_variables["s1vb"] = float(value)
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elif variable == 's2hr':
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det_variables["s1hr"] = float(value)
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elif variable == 's2hl':
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det_variables["s2hl"] = float(value)
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elif '#data' in line:
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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["omega"] = omega
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det_variables["counts"] = counts
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det_variables["Monitor1"] = monitor1
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det_variables["Monitor2"] = monitor2
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det_variables["Monitor3"] = monitor3
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det_variables["time"] = time
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return det_variables
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except IOError:
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print("File not found or path is incorrect")
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