<tool id="CONVERTER_smiles_to_smiles" name="SMILES to SMILES" version="1.0.0">
    <description></description>
    <parallelism method="multi" split_inputs="input" split_mode="to_size" split_size="10000" shared_inputs="" merge_outputs="output"></parallelism>
    <requirements>
        <requirement type="package" version="2.3.2">openbabel</requirement>
    </requirements>
    <command >
        obabel -ismi "${input}"
        #if $can:
            -ocan
        #else:
            -osmi 
        #end if
            -O "${output}" -e 
        $remove_h
        #if $iso_chi or $can or $exp_h:
            -x$iso_chi$exp_h$can
        #end if
        #if $dative_bonds:
            -b
        #end if
        #if int($ph) >= 0:
            -p $ph
        #end if

        2>&#38;1
    </command>
    <inputs>
        <param name="input" type="data" format="smi" label="Molecules in SD-format"/>
        <param name="iso_chi" type="boolean" label="Do not include isotopic or chiral markings (-xi)" truevalue="i" falsevalue="" checked="false" />
        <param name="can" type="boolean" label="Output in canonical form (-xc)" truevalue="c" falsevalue="" checked="false" />
        <param name="exp_h" type="boolean" label="Output explicit hydrogens as such (-xh)" truevalue="h" falsevalue="" checked="false" />
        <param name="remove_h" type="boolean" label="Delete hydrogen atoms (-d)" truevalue="-d" falsevalue="" />
        <param name="ph" size="3" type="float" value="-1" label="Add hydrogens appropriate for pH (-p)" help="-1 means deactivated"/>
        <param name="dative_bonds" type="boolean" label="Convert dative bonds (e.g. [N+]([O-])=O to N(=O)=O) (-b)" truevalue="-b" falsevalue="" />
    </inputs>
    <outputs>
        <data name="output" format="smi"/>
    </outputs>
    <help>
    </help>
</tool>