Merge pull request #153 from yucongalicechen/dump

add xtype=d in dump function
diffpy · Nov 6, 2024 · 19d7cc5 · 19d7cc5
2 parents 73eb3c2 + 7e25316
commit 19d7cc5
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diff --git a/news/dump.rst b/news/dump.rst
@@ -0,0 +1,23 @@
+**Added:**
+
+* functionality in dump to allow writing data on dspace
+
+**Changed:**
+
+* <news item>
+
+**Deprecated:**
+
+* <news item>
+
+**Removed:**
+
+* <news item>
+
+**Fixed:**
+
+* <news item>
+
+**Security:**
+
+* <news item>
diff --git a/src/diffpy/utils/scattering_objects/diffraction_objects.py b/src/diffpy/utils/scattering_objects/diffraction_objects.py
@@ -445,6 +445,8 @@ def dump(self, filepath, xtype=None):
             data_to_save = np.column_stack((self.on_q[0], self.on_q[1]))
         elif xtype == "tth":
             data_to_save = np.column_stack((self.on_tth[0], self.on_tth[1]))
+        elif xtype == "d":
+            data_to_save = np.column_stack((self.on_d[0], self.on_d[1]))
         else:
             print(f"WARNING: cannot handle the xtype '{xtype}'")
         self.metadata.update(get_package_info("diffpy.utils", metadata=self.metadata))