pyzebra/load_1D.py

@@ -2,7 +2,22 @@ import re
 import numpy as np
 from decimal import Decimal
 
-META_VARS_STR = (
+
+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": {}}
+    meta_vars_str = (
         "instrument",
         "title",
         "sample",
@@ -15,8 +30,8 @@ META_VARS_STR = (
         "proposal_user",
         "proposal_title",
         "proposal_email",
-)
+    )
-META_VARS_FLOAT = (
+    meta_vars_float = (
         "mf",
         "2-theta",
         "chi",
@@ -50,36 +65,29 @@ META_VARS_FLOAT = (
         "s2vb",
         "s2hr",
         "s2hl",
-)
+    )
-META_UB_MATRIX = ("ub1j", "ub2j", "ub3j")
+    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:
+                try:
+                    if variable in meta_vars_float:
                         det_variables["meta"][variable] = float(value)
-                elif variable in META_VARS_STR:
+                    elif variable in meta_vars_str:
                         det_variables["meta"][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))
+                        det_variables["meta"][variable] = re.findall(
-
+                            r"[-+]?\d*\.\d+|\d+", str(value)
+                        )
+                except ValueError as error:
+                    print(
+                        "Some values are not in expected format (str or float), error:",
+                        str(error),
+                    )
             elif "#data" in line:
                 if det_variables["file_type"] == "ccl":
                     decimal = list()
@@ -111,6 +119,7 @@ def load_1D(filepath):
                                 d["gamma_angle"] = float(lines.split()[4])  # gamma
                                 d["omega_angle"] = float(lines.split()[5])  # omega
                                 d["nu_angle"] = float(lines.split()[6])  # nu
+                                d["unkwn_angle"] = float(lines.split()[7])
 
                             next_line = data[position + 1]
                             d["number_of_measurements"] = int(next_line.split()[0])
@@ -137,6 +146,12 @@ def load_1D(filepath):
                             )
                             d["counts"] = counts
                             det_variables["Measurements"][str("M" + str(measurement_number))] = d
+                    if all(decimal):
+                        det_variables["meta"]["indices"] = "hkl"
+                    else:
+                        det_variables["meta"]["indices"] = "real"
+                    print("indeces:", det_variables["meta"]["indices"])
+
 
                 elif det_variables["file_type"] == "dat":
                     data = infile.readlines()
@@ -162,9 +177,6 @@ def load_1D(filepath):
                     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
+