Commit c81e1f03 authored by Tung, Chi-Huan's avatar Tung, Chi-Huan
Browse files

changed output.txt file location, updated docker container

parent 583c8573
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+6 −6
Original line number Diff line number Diff line
<tool id="neutrons_mlsans_fit_yukawa_sq" name="fit_Yukawa_IQ"  profile="22.04" version="0.1.4-dev">
<tool id="neutrons_mlsans_fit_yukawa_sq" name="fit_Yukawa_IQ"  profile="22.04" version="0.1.5-dev">
  <description></description>
    <requirements>
        <container type="docker">savannah.ornl.gov/ndip/tool-sources/ml-assisted-sans-data-analysis/fit_yukawa_sq@sha256:a68370ea1bfdac90a4ed7e28803d7edcda1555b2467b798da4e27ccdd897c988</container>
        <container type="docker">savannah.ornl.gov/ndip/tool-sources/ml-assisted-sans-data-analysis/fit_yukawa_sq@sha256:9adfe752a9859aa252216bfba8a57af4235c983bc7fcfb6f1c92425123b7bbe0</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 && mv output.png $output && cp /src/output.txt $output2
        python3 /src/curvefit.py -i $input $C $I_inc $sigma $d_sigma $phi $kappa $A || echo python finished && mv output.png $output && cp output.txt $output2
    ]]></command>
    <inputs>
        <param name="input" type="data" optional="false" label="ASCII data"/>
@@ -24,9 +24,9 @@
        </data>
    </outputs>
    <help><![CDATA[
        Fit the input I(Q) curve. Initial guess, lower bound and upper bound are separated using spaces.
        Fit the input hard sphere Yukawa colloid I(Q) curve. Initial guess, lower bound and upper bound are separated using spaces. Q points are rescaled such that QD in 0.2:0.2:16, the sigma fitting parameter reflects the differences between the actual particle radius and the initial guesses.
]]></help>
    <tests>
    <!-- <tests>
        <test>
            <inputs>
                <param name="input" type="data" optional="false" label="ASCII data"/>
@@ -46,6 +46,6 @@
                </data>
            </outputs>
        </test>
    </tests>
    </tests> -->
</tool>