[Ifeffit] Larch as python library

Dear Matt, I’ve been working to implement Larch functions as a Python library. During the implementation I found a number of things I needed to do including: 1. Identifiying a functions’ python callable name, i.e. _group as a python callable function instead of group as the larch function. 2. The need to pass '_larch = mylarch’ in the said function or I get the 'AttributeError: 'NoneType' object has no attribute ‘symtable’ ‘ 3. The need to run the script through the Python console as oppose to running as a script. You can see my sample script with data attached. Keep in mind I am a Python novice. So for point 3 in particular I don’t understand the difference between running some selected code in the Python console and running the whole script in the shell (I am using PyCharm CE). I checked my Python interpreter with sys.executable (path) and sys.version_info (version) which are the same between the console and interpreter which were initial issues I found online. Is the interpreter somehow not seeing the xraylarch library? Finally: 1. Is there an easier way to use the larch functions as a python library? 2. Is a larch group basically a python dictionary? If so, this could be made clearer in the documentation. I am interested to contribute to the documentation if that’s of interest/help. I am running MacOS Sierra 10.12.1 on a mid-2015 15" MacBook Pro with Python 2.7. Ron and Alpha: Maybe you have some ideas to the above points? Thanks everyone for any help. Sean

On Oct 12, 2016, at 7:19 PM, Matt Newville wrote:

Hi Sean,

On Wed, Oct 12, 2016 at 7:36 PM, Sean Fackler mailto:swfackler@lbl.gov> wrote: Dear Larch developers (Matt),

I believe I found an error in the mback function where I get a NameError saying the name ‘f1_chantler’ is not defined. I found that simply adding f1_chantler to the larch_plugins.xray import section in mback.py fixes the problem. I have included the modified mback.py code, my input data (SigScan226827.txt), project code (mback_test.py), and the error I received (mback_error.txt).

I am running python 2.7 with anaconda as my manager, macOS Sierra v10.12, on a mid-2015 15” MacBook pro. I hope this report is correct and helpful.

Regards,

Sean

Sean Fackler, PhD Joint Center for Artificial Photosynthesis Lawrence Berkeley National Lab 1 Cyclotron Rd Mail Stop 30R0205 Berkeley CA, 94720 Mobile: 609-613-8734 tel:609-613-8734

Sorry for the trouble and thanks for the complete report. You're absolutely right, f1_chantler was just missing. Fix in github master.

--Matt

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