Merge pull request #123 from yucongalicechen/output-wavelength

remove wavelength from loading metadata

Author: sbillinge

Diff for: news/output-wavelength.rst

@@ -0,0 +1,23 @@
+**Added:**
+
+* <news item>
+
+**Changed:**
+
+* <news item>
+
+**Deprecated:**
+
+* <news item>
+
+**Removed:**
+
+* <news item>
+
+**Fixed:**
+
+* duplicated wavelength information in output files
+
+**Security:**
+
+* <news item>

Diff for: src/diffpy/labpdfproc/tools.py

@@ -6,7 +6,10 @@
 
 WAVELENGTHS = {"Mo": 0.71, "Ag": 0.59, "Cu": 1.54}
 known_sources = [key for key in WAVELENGTHS.keys()]
-METADATA_KEYS_TO_EXCLUDE = ["output_correction", "force_overwrite", "input", "input_paths"]
+
+# Exclude wavelength from metadata to prevent duplication,
+# as the dump function in diffpy.utils writes it explicitly.
+METADATA_KEYS_TO_EXCLUDE = ["output_correction", "force_overwrite", "input", "input_paths", "wavelength"]
 
 
 def set_output_directory(args):

Diff for: tests/test_tools.py

@@ -336,7 +336,6 @@ def test_load_metadata(mocker, user_filesystem):
             "mud": 2.5,
             "input_directory": str(filepath),
             "anode_type": "Mo",
-            "wavelength": 0.71,
             "output_directory": str(Path.cwd().resolve()),
             "xtype": "tth",
             "method": "polynomial_interpolation",