add test, change tag

<tool id="mlsans_fit_Yukawa_sq" name="fit_IQ"  profile="22.04" version="0.1.3">

  <description></description>

    <requirements>

        <container type="docker">code.ornl.gov:4567/ndip/tool-sources/ml-assisted-sans-data-analysis/fit_yukawa_sq:ac6aa7b6</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

    ]]></command>

    <inputs>

        <param name="input" type="text" value="/src/example_IQ.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>

    <help><![CDATA[

        Fit the input I(Q) curve. Initial guess, lower bound and upper bound are separated using spaces.

]]></help>

</tool>

    <help><![CDATA[

        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"/>

                <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"/>

                </data>

            </outputs>

        </test>

    </tests> -->

    </tests>

</tool>

0.2,876.1466294070176

0.4,867.5849984656128

0.6000000000000001,881.9455162178297

0.8,918.2373157065572

1.0,1003.7320672948202

1.2000000000000002,1065.0522949308408

1.4000000000000001,1114.9882125107242

1.6,1166.8626196048185

1.8,1224.962503518862

2.0,1300.910646289847

2.2,1384.2670669620718

2.4000000000000004,1468.4915281965366

2.6,1552.8272608062778

2.8000000000000003,1650.0438485623595

3.0,1761.3088058620938

3.2,1874.923395036646

3.4000000000000004,1961.5968775147228

3.6,2004.3107783877801

3.8000000000000003,1993.2557087923078

4.0,1933.9983787258498

4.2,1824.2850724971884

4.4,1672.4439400076371

4.6000000000000005,1503.0064312661168

4.800000000000001,1325.431552316714

5.0,1150.5961474451494

5.2,984.4454402048426

5.4,830.2129312137488

5.6000000000000005,691.8389998280635

5.800000000000001,577.2195949752779

6.0,482.8311798173546

6.2,403.23507944716954

6.4,334.4699329296535

6.6000000000000005,274.2191135571878

6.800000000000001,220.75411979977912

7.0,175.75735847585332

7.2,138.1872197849548

7.4,106.89011201574877

7.6000000000000005,81.44402161159825

7.800000000000001,60.81907529344448

8.0,44.187108773755824

8.200000000000001,31.295162982856297

8.4,21.63043973815487

8.6,14.927273927701803

8.8,10.765319017231104

9.0,8.68728187807691

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9.8,12.750907894847236

10.0,15.173801290554321

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10.4,20.07505924353969

10.600000000000001,22.215319220327856

10.8,23.96084112049982

11.0,25.275038922161592

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13.4,13.974096886071838

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16.6,3.210363252191553

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17.0,3.632531363358618

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17.8,4.234334576407528

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18.2,4.308497667294391

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19.6,3.3261631384694184

19.8,3.098574194054552

20.0,2.8685100320903745