Commit 6eb0bdfb authored by Tung, Chi-Huan's avatar Tung, Chi-Huan
Browse files

added author info and acknowledgements

parent 1bb57051

galaxy/tools/neutrons/mlsans_fit_yukawa_sq.xml

+16 −18
Original line number Diff line number Diff line 
<tool id="neutrons_mlsans_fit_yukawa_sq" name="fit_Yukawa_IQ"  profile="22.04" version="0.1.5-dev1">

 <tool id="neutrons_mlsans_fit_yukawa_sq" name="fit_Yukawa_IQ"  profile="22.04" version="0.1.5-dev3">

  <description></description>

    <creator>

        <person name="ML-SANS Tools"/>

        <organization url="https://www.ornl.gov/" name="ORNL"/>

    </creator>

    <requirements>

        <container type="docker">savannah.ornl.gov/ndip/tool-sources/ml-assisted-sans-data-analysis/fit_yukawa_sq@sha256:9adfe752a9859aa252216bfba8a57af4235c983bc7fcfb6f1c92425123b7bbe0</container>

    </requirements>
@@ -30,6 +34,9 @@ 
        **Usage**

        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.



        **Acknowledgement**

        This research was sponsored by the Laboratory Directed Research and Development Program of Oak Ridge National Laboratory, managed by UT-Battelle, LLC, for the U. S. Department of Energy.

]]></help>

    <citations>

    <!-- Example of annotating a citation using a DOI. -->
@@ -39,23 +46,14 @@ 
    </citations>

    <tests>

        <test>

            <inputs>

                <param name="input" type="data" value="example_IQ_Yukawa.csv" optional="false" label="ASCII data"/>

                <param name="C" type="text" value="4000 3500 4500" label="C" optional="false" help="Contrast"/>

                <param name="I_inc" type="text" value="0.5 0.1 2" label="I_inc" optional="false" help="Incoherent background"/>

                <param name="sigma" type="text" value="1 0.9 1.1" label="σ" optional="false" help="Particle diameter"/>

                <param name="d_sigma" type="text" value="0.07 0.02 0.1" label="d_σ" optional="false" help="Particle size polydispersity"/>

                <param name="phi" type="text" value="0.1 0.05 0.25" label="Φ" optional="false" help="Volume fraction"/>

                <param name="kappa" type="text" value="0.2 0.1 0.3" label="1/κD" optional="false" help="Screening constant"/>

                <param name="A" type="text" value="10 1 20" label="βA" optional="false" help="Repulsion strength"/>

            </inputs>

            

            <outputs>

                <data name="output" format="png" label="fitting results plot">

                </data>

                <data name="output2" format="txt" label="fitting results">

                </data>

            </outputs>

            <param name="input" value="example_IQ_Yukawa.csv" />

            <param name="C"  value="4000 3500 4500" />

            <param name="I_inc"  value="0.5 0.1 2" />

            <param name="sigma"  value="1 0.9 1.1" />

            <param name="d_sigma"  value="0.07 0.02 0.1" />

            <param name="phi"  value="0.1 0.05 0.25" />

            <param name="kappa"  value="0.2 0.1 0.3" />

            <param name="A" value="10 1 20" />

        </test>

    </tests>

</tool>