Combine comm_export and load_1D modules

pyzebra/__init__.py

@@ -1,10 +1,9 @@
 import pyzebra.ccl_dict_operation
 from pyzebra.anatric import *
 from pyzebra.ccl_findpeaks import ccl_findpeaks
-from pyzebra.comm_export import export_comm
 from pyzebra.fit2 import fitccl
 from pyzebra.h5 import *
-from pyzebra.load_1D import load_1D, parse_1D
+from pyzebra.ccl_io import load_1D, parse_1D, export_comm
 from pyzebra.param_study_moduls import add_dict, auto, merge, scan_dict
 from pyzebra.xtal import *
 

pyzebra/ccl_io.py

@@ -19,6 +19,7 @@ META_VARS_STR = (
     "proposal_email",
     "detectorDistance",
 )
+
 META_VARS_FLOAT = (
     "omega",
     "mf",
@@ -213,3 +214,82 @@ def parse_1D(fileobj, data_type):
     metadata["area_method"] = "fit"
 
     return {"meta": metadata, "scan": scan}
+
+
+def correction(value, lorentz=True, zebra_mode="--", ang1=0, ang2=0):
+    if lorentz is False:
+        return value
+    else:
+        if zebra_mode == "bi":
+            corr_value = np.abs(value * np.sin(ang1))
+            return corr_value
+        elif zebra_mode == "nb":
+            corr_value = np.abs(value * np.sin(ang1) * np.cos(ang2))
+            return corr_value
+
+
+def export_comm(data, path, lorentz=False):
+    """exports data in the *.comm format
+    :param lorentz: perform Lorentz correction
+    :param path: path to file + name
+    :arg data - data to export, is dict after peak fitting
+
+    """
+    zebra_mode = data["meta"]["zebra_mode"]
+    align = ">"
+    if data["meta"]["indices"] == "hkl":
+        extension = ".comm"
+        padding = [6, 4, 10, 8]
+    elif data["meta"]["indices"] == "real":
+        extension = ".incomm"
+        padding = [4, 6, 10, 8]
+
+    with open(str(path + extension), "w") as out_file:
+        for key, scan in data["scan"].items():
+            if "fit" not in scan:
+                print("Scan skipped - no fit value for:", key)
+                continue
+            scan_number_str = f"{key:{align}{padding[0]}}"
+            h_str = f'{int(scan["h_index"]):{padding[1]}}'
+            k_str = f'{int(scan["k_index"]):{padding[1]}}'
+            l_str = f'{int(scan["l_index"]):{padding[1]}}'
+            if data["meta"]["area_method"] == "fit":
+                area = float(scan["fit"]["fit_area"].n)
+                sigma_str = (
+                    f'{"{:8.2f}".format(float(scan["fit"]["fit_area"].s)):{align}{padding[2]}}'
+                )
+            elif data["meta"]["area_method"] == "integ":
+                area = float(scan["fit"]["int_area"].n)
+                sigma_str = (
+                    f'{"{:8.2f}".format(float(scan["fit"]["int_area"].s)):{align}{padding[2]}}'
+                )
+
+            if zebra_mode == "bi":
+                area = correction(area, lorentz, zebra_mode, scan["twotheta_angle"])
+                int_str = f'{"{:8.2f}".format(area):{align}{padding[2]}}'
+                angle_str1 = f'{scan["twotheta_angle"]:{padding[3]}}'
+                angle_str2 = f'{scan["omega_angle"]:{padding[3]}}'
+                angle_str3 = f'{scan["chi_angle"]:{padding[3]}}'
+                angle_str4 = f'{scan["phi_angle"]:{padding[3]}}'
+            elif zebra_mode == "nb":
+                area = correction(area, lorentz, zebra_mode, scan["gamma_angle"], scan["nu_angle"])
+                int_str = f'{"{:8.2f}".format(area):{align}{padding[2]}}'
+                angle_str1 = f'{scan["gamma_angle"]:{padding[3]}}'
+                angle_str2 = f'{scan["omega_angle"]:{padding[3]}}'
+                angle_str3 = f'{scan["nu_angle"]:{padding[3]}}'
+                angle_str4 = f'{scan["unkwn_angle"]:{padding[3]}}'
+
+            line = (
+                scan_number_str
+                + h_str
+                + k_str
+                + l_str
+                + int_str
+                + sigma_str
+                + angle_str1
+                + angle_str2
+                + angle_str3
+                + angle_str4
+                + "\n"
+            )
+            out_file.write(line)

pyzebra/comm_export.py

@@ -1,80 +0,0 @@
-import numpy as np
-
-
-def correction(value, lorentz=True, zebra_mode="--", ang1=0, ang2=0):
-    if lorentz is False:
-        return value
-    else:
-        if zebra_mode == "bi":
-            corr_value = np.abs(value * np.sin(ang1))
-            return corr_value
-        elif zebra_mode == "nb":
-            corr_value = np.abs(value * np.sin(ang1) * np.cos(ang2))
-            return corr_value
-
-
-def export_comm(data, path, lorentz=False):
-    """exports data in the *.comm format
-    :param lorentz: perform Lorentz correction
-    :param path: path to file + name
-    :arg data - data to export, is dict after peak fitting
-
-    """
-    zebra_mode = data["meta"]["zebra_mode"]
-    align = ">"
-    if data["meta"]["indices"] == "hkl":
-        extension = ".comm"
-        padding = [6, 4, 10, 8]
-    elif data["meta"]["indices"] == "real":
-        extension = ".incomm"
-        padding = [4, 6, 10, 8]
-
-    with open(str(path + extension), "w") as out_file:
-        for key, scan in data["scan"].items():
-            if "fit" not in scan:
-                print("Scan skipped - no fit value for:", key)
-                continue
-            scan_number_str = f"{key:{align}{padding[0]}}"
-            h_str = f'{int(scan["h_index"]):{padding[1]}}'
-            k_str = f'{int(scan["k_index"]):{padding[1]}}'
-            l_str = f'{int(scan["l_index"]):{padding[1]}}'
-            if data["meta"]["area_method"] == "fit":
-                area = float(scan["fit"]["fit_area"].n)
-                sigma_str = (
-                    f'{"{:8.2f}".format(float(scan["fit"]["fit_area"].s)):{align}{padding[2]}}'
-                )
-            elif data["meta"]["area_method"] == "integ":
-                area = float(scan["fit"]["int_area"].n)
-                sigma_str = (
-                    f'{"{:8.2f}".format(float(scan["fit"]["int_area"].s)):{align}{padding[2]}}'
-                )
-
-            if zebra_mode == "bi":
-                area = correction(area, lorentz, zebra_mode, scan["twotheta_angle"])
-                int_str = f'{"{:8.2f}".format(area):{align}{padding[2]}}'
-                angle_str1 = f'{scan["twotheta_angle"]:{padding[3]}}'
-                angle_str2 = f'{scan["omega_angle"]:{padding[3]}}'
-                angle_str3 = f'{scan["chi_angle"]:{padding[3]}}'
-                angle_str4 = f'{scan["phi_angle"]:{padding[3]}}'
-            elif zebra_mode == "nb":
-                area = correction(area, lorentz, zebra_mode, scan["gamma_angle"], scan["nu_angle"])
-                int_str = f'{"{:8.2f}".format(area):{align}{padding[2]}}'
-                angle_str1 = f'{scan["gamma_angle"]:{padding[3]}}'
-                angle_str2 = f'{scan["omega_angle"]:{padding[3]}}'
-                angle_str3 = f'{scan["nu_angle"]:{padding[3]}}'
-                angle_str4 = f'{scan["unkwn_angle"]:{padding[3]}}'
-
-            line = (
-                scan_number_str
-                + h_str
-                + k_str
-                + l_str
-                + int_str
-                + sigma_str
-                + angle_str1
-                + angle_str2
-                + angle_str3
-                + angle_str4
-                + "\n"
-            )
-            out_file.write(line)

pyzebra/param_study_moduls.py

@@ -8,7 +8,7 @@ import scipy.io as sio
 import uncertainties as u
 from mpl_toolkits.mplot3d import Axes3D  # dont delete, otherwise waterfall wont work
 
-from .load_1D import load_1D
+from .ccl_io import load_1D
 
 
 def create_tuples(x, y, y_err):