Two application problems #1886
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alexhao313
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I'm using the latest prerelease version of hexrdgui and encountering an error when importing CIF files downloaded from the Crystallography Open Database (COD) via the 'import from CIF' feature. How should I resolve this issue? The error message is as follows:
C:\Users*\anaconda3\envs\hexrdgui\Lib\site-packages\hexrd\material\material.py:716: UserWarning: occupation fraction not present. setting it to 1
warn('occupation fraction not present. setting it to 1')
C:\Users*\anaconda3\envs\hexrdgui\Lib\site-packages\hexrd\material\material.py:744: UserWarning: 'Debye-Waller factors not present. setting to same values for all atoms.'
warn(msg)
Traceback (most recent call last):
File "C:\Users*\anaconda3\envs\hexrdgui\Lib\site-packages\hexrdgui\material_list_editor.py", line 79, in import_from_cif
new_name = HexrdConfig().import_material(selected_file)
^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
File "C:\Users*\anaconda3\envs\hexrdgui\Lib\site-packages\hexrdgui\hexrd_config.py", line 1257, in import_material
material = Material(name, f, kev=beam_energy)
^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
File "C:\Users*\anaconda3\envs\hexrdgui\Lib\site-packages\hexrd\material\material.py", line 187, in init
self._readCif(material_file)
File "C:\Users*\anaconda3\envs\hexrdgui\Lib\site-packages\hexrd\material\material.py", line 784, in _readCif
raise RuntimeError('atom types not defined in cif file.')
RuntimeError: atom types not defined in cif file.
C:\Users******\anaconda3\envs\hexrdgui\Lib\site-packages\hexrd\material\material.py:744: UserWarning: 'Debye-Waller factors not present. setting to same values for all atoms.'
warn(msg)
=======================================================================================
Additionally, when importing the detector configuration file via File → Open → Instrument → File, the following message appears. The detector is set as planar with 25 μm/pixel with a large dimension. Is there an error in the configuration? Does the file need to be modified?
(hexrdgui) C:\Users*>hexrdgui
Traceback (most recent call last):
File "C:\Users*\anaconda3\envs\hexrdgui\Lib\site-packages\hexrdgui\main_window.py", line 1086, in deep_rerender
self.update_all(clear_canvases=True)
File "C:\Users*\anaconda3\envs\hexrdgui\Lib\site-packages\hexrdgui\main_window.py", line 1120, in update_all
self.ui.image_tab_widget.load_images()
File "C:\Users*\anaconda3\envs\hexrdgui\Lib\site-packages\hexrdgui\image_tab_widget.py", line 145, in load_images
self.load_images_untabbed()
File "C:\Users*\anaconda3\envs\hexrdgui\Lib\site-packages\hexrdgui\image_tab_widget.py", line 103, in load_images_untabbed
self.image_canvases[0].load_images(
File "C:\Users*\anaconda3\envs\hexrdgui\Lib\site-packages\hexrdgui\image_canvas.py", line 226, in load_images
images_dict = self.create_raw_view_images(image_names)
^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
File "C:\Users*\anaconda3\envs\hexrdgui\Lib\site-packages\hexrdgui\image_canvas.py", line 287, in create_raw_view_images
images_dict = self.scaled_display_image_dict
^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
File "C:\Users*\anaconda3\envs\hexrdgui\Lib\site-packages\hexrdgui\image_canvas.py", line 342, in scaled_display_image_dict
return self.create_scaled_image_dict(display=True)
^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
File "C:\Users*\anaconda3\envs\hexrdgui\Lib\site-packages\hexrdgui\image_canvas.py", line 329, in create_scaled_image_dict
unscaled = self.unscaled_display_image_dict
^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
File "C:\Users*\anaconda3\envs\hexrdgui\Lib\site-packages\hexrdgui\image_canvas.py", line 315, in unscaled_display_image_dict
return self.create_image_dict(display=True)
^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
File "C:\Users*\anaconda3\envs\hexrdgui\Lib\site-packages\hexrdgui\image_canvas.py", line 302, in create_image_dict
return HexrdConfig().create_masked_images_dict(fill_value=np.nan,
^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
File "C:\Users*\anaconda3\envs\hexrdgui\Lib\site-packages\hexrdgui\hexrd_config.py", line 1101, in create_masked_images_dict
images_dict = self.images_dict
^^^^^^^^^^^^^^^^
File "C:\Users*\anaconda3\envs\hexrdgui\Lib\site-packages\hexrdgui\hexrd_config.py", line 1032, in images_dict
return self.intensity_corrected_images_dict
^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^
File "C:\Users*\anaconda3\envs\hexrdgui\Lib\site-packages\hexrdgui\hexrd_config.py", line 961, in intensity_corrected_images_dict
images_dict[name] *= corrections_dict[name]
ValueError: operands could not be broadcast together with shapes (1536,3176) (1722,3360) (1536,3176)
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