easyreflectometry 1.3.1a0__tar.gz → 1.3.2__tar.gz

{easyreflectometry-1.3.1a0 → easyreflectometry-1.3.2}/PKG-INFO

@@ -1,6 +1,6 @@
 Metadata-Version: 2.1
 Name: easyreflectometry
-Version: 1.3.1a0
+Version: 1.3.2
 Summary: A reflectometry python package built on the EasyScience framework.
 Project-URL: homepage, https://docs.easyreflectometry.org
 Project-URL: documentation, https://docs.easyreflectometry.org

easyreflectometry-1.3.2/src/easyreflectometry/__version__.py

@@ -0,0 +1 @@
+__version__ = '1.3.2'

{easyreflectometry-1.3.1a0 → easyreflectometry-1.3.2}/src/easyreflectometry/data/measurement.py

@@ -74,13 +74,48 @@ def _load_txt(fname: Union[TextIO, str]) -> sc.DataGroup:
 
     :param fname: The path for the file to be read.
     """
-    f_data = np.loadtxt(fname)
-    data = {'R_0': sc.array(dims=['Qz_0'], values=f_data[:, 1], variances=np.square(f_data[:, 2]))}
+    # fname can have either a space or a comma as delimiter
+    # Determine the delimiter used in the file
+    delimiter = None
+    with open(fname, 'r') as f:
+        # find first non-comment and non-empty line
+        for line in f:
+            if line.strip() and not line.startswith('#'):
+                break
+        first_line = line
+    if ',' in first_line:
+        delimiter = ','
+
+    try:
+        # First load only the data to check column count
+        data = np.loadtxt(fname, delimiter=delimiter, comments='#')
+        if data.ndim == 1:
+            # Handle single row case
+            num_columns = len(data)
+        else:
+            num_columns = data.shape[1]
+
+        # Verify minimum column requirement
+        if num_columns < 3:
+            raise ValueError(f"File must contain at least 3 columns (found {num_columns})")
+
+        # Now unpack the data based on column count
+        if num_columns >= 4:
+            x, y, e, xe = np.loadtxt(fname, delimiter=delimiter, comments='#', unpack=True)
+        else:  # 3 columns
+            x, y, e = np.loadtxt(fname, delimiter=delimiter, comments='#', unpack=True)
+            xe = np.zeros_like(x)
+
+    except (ValueError, IOError) as error:
+        # Re-raise with more descriptive message
+        raise ValueError(f"Failed to load data from {fname}: {str(error)}") from error
+
+    data = {'R_0': sc.array(dims=['Qz_0'], values=y, variances=np.square(e))}
     coords = {
         data['R_0'].dims[0]: sc.array(
             dims=['Qz_0'],
-            values=f_data[:, 0],
-            variances=np.square(f_data[:, 3]),
+            values=x,
+            variances=np.square(xe),
             unit=sc.Unit('1/angstrom'),
         )
     }

easyreflectometry-1.3.1a0/src/easyreflectometry/__version__.py

@@ -1 +0,0 @@
-__version__ = '1.3.1a'