Commit 540af3c9 authored by Tung, Chi-Huan's avatar Tung, Chi-Huan
Browse files

fixed input format for curvefit.py

parent c841403a

galaxy/tools/neutrons/mlsans_fit_Yukawa_sq.xml

+1 −1
Original line number Diff line number Diff line 
<tool id="mlsans_fit_Yukawa_sq" name="fit_IQ"  profile="22.04" version="0.1.1">

  <description></description>

    <requirements>

        <container type="docker">code.ornl.gov:4567/ndip/tool-sources/ml-assisted-sans-data-analysis/fit_yukawa_sq:e4197a0d</container>

        <container type="docker">code.ornl.gov:4567/ndip/tool-sources/ml-assisted-sans-data-analysis/fit_yukawa_sq:c841403a</container>

    </requirements>

    <command detect_errors="exit_code"><![CDATA[

        python3 /src/curvefit.py -i $input $C $I_inc $sigma $d_sigma $phi $kappa $A || echo python finished

src/curvefit.ipynb

deleted100644 → 0
+0 −239

File deleted.

Preview size limit exceeded, changes collapsed.

src/curvefit.py

+5 −0
Original line number Diff line number Diff line
@@ -108,6 +108,11 @@ def fit(initial_guess, file_name): 
    result = minner.minimize('nelder')

    # write error report

    # report_fit(result)

    

    for param in result.params.values():

        string = "%s:  %f +/- %f (init = %f)" % (param.name, param.value, param.stderr, param.init_value)

        print(string)

        

    print('Printing results to output.txt')

    with open('/src/output.txt', 'w') as f:

        for param in result.params.values():

src/新增 文字文件.txt

0 → 100644
+0 −0

Empty file added.