[GSAS-II] potential bug at displayed structure

[Toby, Brian H.]

Andrzej,

   The bug below is fixed I think. (Actually there two below; I also fixed the IPython bug as well.)

   There are already several ways to set sample parameters from metadata. One way is that as images are read, a file named file.tif.metadata is read. There is also a way to read metadata from a single file that has a lookup table (see https://gsas-ii.readthedocs.io/en/latest/GSASIIutil.html#config_example.Column_Metadata_directory and https://gsas-ii.readthedocs.io/en/latest/GSASIIutil.html#GSASIIfiles.readColMetadata). A different option is the PWDR Sample Parameters/Command/Load All menu item, which can read a file that has file names and values for temperature, pressure,… I don’t think that is documented anywhere, but the file should look something like this:

#filename       temperature pressure ignore-me  humidity
LaB6_dc250.tif      100          1      test       .2
LaB6_dc300.tif      150          1      test       .25

The header (which starts with #) is optional and delimiters are spaces, tabs or commas and columns do not need to actually line up. I think the filename only needs to match the first “word” after PWDR.

Brian

On May 12, 2019, at 2:43 PM, Falenty, Andrzej via GSAS-II <gsas-ii at aps.anl.gov<mailto:gsas-ii at aps.anl.gov>> wrote:

Dear Bob and Brian,

I have encountered some strange error when interacting with the structure model. The error does not seem to have any apparent negative consequences. It just produce a number of error lines in the command window.


------------------------------------------------------------------------------------------
Python module versions loaded:
  Python:     2.7.12
  wx:         3.0.0.0
  matplotlib: 1.5.3
  numpy:      1.11.2
  scipy:      0.18.1
  OpenGL:     3.1.1a1
  PIL.Image:  3.4.2
  Platform:   win32 64bit AMD64
This is GSAS-II revision 3964


Phases > Atoms > Mouse hovered over the displayed structure


Original exception was:
Traceback (most recent call last):
  File "C:\g2conda\GSASII\GSASIIplot.py", line 8092, in OnMouseMove
    elif drawingData['showSlice']:
KeyError: 'showSlice'
Error in sys.excepthook:
Traceback (most recent call last):
  File "C:\g2conda\GSASII\GSASIIpath.py", line 737, in exceptHook
    import IPython.core
ImportError: No module named IPython.core
-----------------------------------------------------------------------------------------------


I have also one side question. I wonder if it would be possible to introduce a new option to the sequential refinement results. Facing hundreds of files in experimental series it is fairly inconvenient to type by hand sample information like temperature, pressure, humidity and so on. Would it be possible to update such data from csv or dat loaded to sequential results and later on updated for every pattern? It would make all sample parameters much more useful.

Best wishes

Andrzej

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