add rasx for new rigaku xrd

.gitignore

@@ -152,4 +152,8 @@ fabric.properties
 # git update-index --assume-unchanged Xerus/settings/config.conf
 
 #test file
-/Examples/Xerustest.ipynb
+/Examples/Xerustest.ipynb
+
+#user file
+/results_tmp/
+/tmp/

Xerus/readers/dataextensions.py

@@ -29,7 +29,7 @@
 import pandas as pd
 import numpy as np
 import os
-
+import zipfile
 
 class DataExtension:
     """
@@ -144,7 +144,7 @@ def read_data(self, file: os.PathLike) -> None:
         self.tmin = np.round(xrd.theta.min(), 2)
         self.tmax = np.round(xrd.theta.max(), 2)
         self.step = np.round(xrd.theta.iat[1] - xrd.theta.iat[0], 4)
-        print("Sucessfuly read datafile {}".format(file))
+        print("Successfully read datafile {}".format(file))
 
 
 class CSVFile(DataExtension):
@@ -175,5 +175,27 @@ def read_data(self, file: str) -> None:
         self.tmin = np.round(xrd.theta.min(), 2)
         self.tmax = np.round(xrd.theta.max(), 2)
         self.step = np.round(xrd.theta.iat[1] - xrd.theta.iat[0], 4)
-        print("Sucessfuly read datafile {}".format(file))
+        print("Successfully read datafile {}".format(file))
+
+
+class RASXFile(DataExtension):
+
+    def __init__(self, fmt="rasx"):
+        super().__init__()
+        self.format = fmt
 
+    def read_data(self, file: os.PathLike) -> None:
+        try:
+            with zipfile.ZipFile(file, "r") as z:
+                with z.open(z.namelist()[0]) as f:
+                    xrd = pd.read_table(f, sep="\t", names=["theta", "int", "extra"])
+                    xrd = xrd.iloc[:, :2]
+        except Exception as e:
+            print("Error reading file: {}".format(e))
+            xrd = pd.read_table(file, sep=",", names=["theta", "int"])
+        xrd['filename'] = os.path.basename(file)
+        self.xrd_df = xrd
+        self.tmin = np.round(xrd.theta.min(), 2)
+        self.tmax = np.round(xrd.theta.max(), 2)
+        self.step = np.round(xrd.theta.iat[1] - xrd.theta.iat[0], 4)
+        print("Successfully read datafile {}".format(file))

Xerus/readers/datareader.py

@@ -31,7 +31,8 @@
 readers = {
     "xy": XYFile(),
     "ras": RASFile(),
-    "csv": CSVFile()
+    "csv": CSVFile(),
+    "rasx": RASXFile(),
 } # supported formats
 
 class DataReader:

app/ui_utils.py

@@ -1,10 +1,9 @@
 import codecs
 import io
 import os
-from typing import List, Union
-
 import pandas as pd
-
+import zipfile
+from typing import List, Union
 from conf import AppSettings
 
 
@@ -21,13 +20,25 @@ def read_input(file: io.BytesIO) -> str:
     _type_
         Nothing. Save files into the temporary folder.
     """
-    stringio = io.StringIO(file.getvalue().decode("shift-jis"))
+    print(file)
+    if file.name.endswith(".rasx"):
+        with open(os.path.join(AppSettings.TMP_FOLDER, file.name), "wb") as f:
+            f.write(file.getvalue())
+        with zipfile.ZipFile(os.path.join(AppSettings.TMP_FOLDER, file.name), "r") as z:
+            with z.open(z.namelist()[0]) as f:
+                xrd = pd.read_table(f, sep="\t")
+        # Save the dataframe as a CSV to the TMP_FOLDER
+        csv_path = os.path.join(AppSettings.TMP_FOLDER, file.name.replace(".rasx", ".csv"))
+        xrd = xrd.iloc[:, :2]  # Keep only the first two columns
+        stringio = io.StringIO(xrd.to_csv(index=False))
+    else:
+        stringio = io.StringIO(file.getvalue().decode("shift-jis"))
 
-    # Save
+    # Save the string data with shift-jis encoding
     with codecs.open(os.path.join(AppSettings.TMP_FOLDER, file.name), "w", "shift-jis") as f:
         f.write(stringio.read())
 
-    # Return path
+    # Return the full path of the saved file
     return os.path.join(AppSettings.TMP_FOLDER, file.name)