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bkchem-0.14.0-2.pre1.fc14.noarch.rpm

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    <title>Module: interactors</title>
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        <p><i><a href="../index.html">Table of Contents</a></i></p>
        
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                bgcolor="#88bbee"><font color="#000000">Module: interactors</font>
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            <th bgcolor="#88bbee"
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                align="right"><font color="#000000">../bkchem/interactors.py</font>
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<p>here reside functions that implement a glue between application or paper
(main.py or paper.py) and the dialogs (dialogs.py)</p>
<table border="0" cellpadding="5" cellspacing="0" width="100%">

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                  <a name="Functions">Functions</a>&nbsp;
                </font>
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                <font color="#000000">&nbsp;</font>
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<a href="#ask_display_form_for_selected">ask_display_form_for_selected</a><br>
<a href="#ask_id_for_selected">ask_id_for_selected</a><br>
<a href="#ask_inchi_program_path">ask_inchi_program_path</a><br>
<a href="#ask_name_for_selected">ask_name_for_selected</a><br>
<a href="#atoms_to_linear_fragment">atoms_to_linear_fragment</a><br>
<a href="#check_validity">check_validity</a><br>
<a href="#compute_oxidation_number">compute_oxidation_number</a><br>
</td>
<td align="LEFT" valign="TOP">
<a href="#convert_selected_to_linear_fragment">convert_selected_to_linear_fragment</a><br>
<a href="#create_fragment_from_selected">create_fragment_from_selected</a><br>
<a href="#log_atom_type">log_atom_type</a><br>
<a href="#save_as_template">save_as_template</a><br>
<a href="#select_language">select_language</a><br>
<a href="#set_atom_number">set_atom_number</a><br>
<a href="#view_fragments">view_fragments</a><br>
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                <font color="#000000">
                  <a name="ask_display_form_for_selected"></a>&nbsp;
                </font>
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            <th bgcolor="#99ccff"
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                <font color="#000000">ask_display_form_for_selected&nbsp;</font>
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        <font color="#000088"><pre>
ask_display_form_for_selected ( paper )

</pre></font>


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                <font color="#000000">
                  <a name="ask_id_for_selected"></a>&nbsp;
                </font>
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            <th bgcolor="#99ccff"
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                <font color="#000000">ask_id_for_selected&nbsp;</font>
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        <font color="#000088"><pre>
ask_id_for_selected ( paper )

</pre></font>

<p>opens dialog for input of molecule ID and sets it</p>

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                <font color="#000000">
                  <a name="ask_inchi_program_path"></a>&nbsp;
                </font>
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            <th bgcolor="#99ccff"
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                <font color="#000000">ask_inchi_program_path&nbsp;</font>
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        <font color="#000088"><pre>
ask_inchi_program_path ()

</pre></font>


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                  <a name="ask_name_for_selected"></a>&nbsp;
                </font>
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                <font color="#000000">ask_name_for_selected&nbsp;</font>
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        <font color="#000088"><pre>
ask_name_for_selected ( paper )

</pre></font>

<p>opens dialog for input of molecule name and sets it</p>

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                <font color="#000000">
                  <a name="atoms_to_linear_fragment"></a>&nbsp;
                </font>
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            <th bgcolor="#99ccff"
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                <font color="#000000">atoms_to_linear_fragment&nbsp;</font>
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        <font color="#000088"><pre>
atoms_to_linear_fragment (
        mol,
        vs,
        bond_length=10,
        )

</pre></font>

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                  <a name="Exceptions">Exceptions</a>&nbsp;
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                <font color="#000000">&nbsp;</font>
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ValueError, "the vertices do not define connected subgraph"<br>
excs.bkchem_graph_error("circular_selection", _( "The selected part of a molecule is a whole ring, there is no way to linearize it" ) )<br>

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                <font color="#000000">
                  <a name="check_validity"></a>&nbsp;
                </font>
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            <th bgcolor="#99ccff"
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                <font color="#000000">check_validity&nbsp;</font>
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        <td>
        <font color="#000088"><pre>
check_validity ( mols )

</pre></font>


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            <th bgcolor="#99ccff"
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                <font color="#000000">
                  <a name="compute_oxidation_number"></a>&nbsp;
                </font>
            </th>
            <th bgcolor="#99ccff"
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                <font color="#000000">compute_oxidation_number&nbsp;</font>
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        <td>
        <font color="#000088"><pre>
compute_oxidation_number ( paper )

</pre></font>


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                <font color="#000000">
                  <a name="convert_selected_to_linear_fragment"></a>&nbsp;
                </font>
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            <th bgcolor="#99ccff"
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                width="80%"
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                <font color="#000000">convert_selected_to_linear_fragment&nbsp;</font>
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        <font color="#000088"><pre>
convert_selected_to_linear_fragment ( paper )

</pre></font>


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                <font color="#000000">
                  <a name="create_fragment_from_selected"></a>&nbsp;
                </font>
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                <font color="#000000">create_fragment_from_selected&nbsp;</font>
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        <font color="#000088"><pre>
create_fragment_from_selected ( paper )

</pre></font>


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                <font color="#000000">
                  <a name="log_atom_type"></a>&nbsp;
                </font>
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                <font color="#000000">log_atom_type&nbsp;</font>
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        <font color="#000088"><pre>
log_atom_type ( vtype )

</pre></font>

<p>according to vtype tells the user how an atom text was interpreted</p>

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                  <a name="save_as_template"></a>&nbsp;
                </font>
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            <th bgcolor="#99ccff"
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                <font color="#000000">save_as_template&nbsp;</font>
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        <font color="#000088"><pre>
save_as_template ( paper )

</pre></font>


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                <font color="#000000">
                  <a name="select_language"></a>&nbsp;
                </font>
            </th>
            <th bgcolor="#99ccff"
                valign="top"
                align="left"
                width="80%"
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                <font color="#000000">select_language&nbsp;</font>
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        <font color="#000088"><pre>
select_language ( paper )

</pre></font>


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                <font color="#000000">
                  <a name="set_atom_number"></a>&nbsp;
                </font>
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                <font color="#000000">set_atom_number&nbsp;</font>
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        <font color="#000088"><pre>
set_atom_number ( atoms )

</pre></font>


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                <font color="#000000">
                  <a name="view_fragments"></a>&nbsp;
                </font>
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            <th bgcolor="#99ccff"
                valign="top"
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                >
                <font color="#000000">view_fragments&nbsp;</font>
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        <font color="#000088"><pre>
view_fragments ( paper )

</pre></font>

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