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<section xmlns="http://docbook.org/ns/docbook" version="5.0" xmlns:xlink="http://www.w3.org/1999/xlink" xml:id="_rwmodel__mol_8cpp">
<title>/Users/bernard/b20/bsoft/src/rwmodel/rwmodel_mol.cpp File Reference</title>
<indexterm><primary>/Users/bernard/b20/bsoft/src/rwmodel/rwmodel_mol.cpp</primary></indexterm>
<para>

<para>Library routines to read and write atomic model parameters. </para>
 
</para>
<programlisting>#include &quot;rwmodel.h&quot;
#include &quot;rwmolecule.h&quot;
#include &quot;model_links.h&quot;
#include &quot;model_util.h&quot;
#include &quot;linked_list.h&quot;
#include &quot;utilities.h&quot;
</programlisting><simplesect>
    <title>Functions    </title>
        <itemizedlist>
            <listitem><para><link linkend="_struct_bmodel">Bmodel</link> * <link linkend="_rwmodel__mol_8cpp_1a330e547d7fb949c840e221bb5a5f5d54">read_model_molecule</link> (<link linkend="_class_bstring">Bstring</link> *file_list, <link linkend="_class_bstring">Bstring</link> &amp;paramfile)</para>

<para>Reads molecular model parameters. </para>
</listitem>
            <listitem><para>int <link linkend="_rwmodel__mol_8cpp_1a16f4f864ed5d6c038af63d2de4a98c57">write_model_molecule</link> (<link linkend="_class_bstring">Bstring</link> &amp;filename, <link linkend="_struct_bmodel">Bmodel</link> *<link linkend="_tcltk__bmodel_8cpp_1a828359eaa8de833b547ac96934f43841">model</link>)</para>

<para>Writes molecular model parameters. </para>
</listitem>
        </itemizedlist>
</simplesect>
<simplesect>
    <title>Variables    </title>
        <itemizedlist>
            <listitem><para>int <link linkend="_rwmodel__mol_8cpp_1a0b2caeb4b6f130be43e5a2f0267dd453">verbose</link></para>
</listitem>
        </itemizedlist>
</simplesect>
<section>
<title>Detailed Description</title>

<para>Library routines to read and write atomic model parameters. </para>

<para><formalpara><title>Author: </title>

<para>Bernard Heymann </para>
</formalpara>
<formalpara><title>Date: </title>

<para>Created: 20060919 </para>

<para>Modified: 20100302 </para>
</formalpara>
</para>
</section>
<section>
<title>Function Documentation</title>
<anchor xml:id="_rwmodel__mol_8cpp_1a330e547d7fb949c840e221bb5a5f5d54"/>    <section>
    <title>read_model_molecule()</title>
<indexterm><primary>read_model_molecule</primary><secondary>rwmodel_mol.cpp</secondary></indexterm>
<indexterm><primary>rwmodel_mol.cpp</primary><secondary>read_model_molecule</secondary></indexterm>
<para><computeroutput><link linkend="_struct_bmodel">Bmodel</link>* read_model_molecule (<link linkend="_class_bstring">Bstring</link> * file_list, <link linkend="_class_bstring">Bstring</link> &amp; paramfile)</computeroutput></para><para>

<para>Reads molecular model parameters. </para>
</para>

<para>
                <formalpara>
                    <title>
Parameters                    </title>
                    <para>
                    <table frame="all">
                        <tgroup cols="2" align="left" colsep="1" rowsep="1">
                        <colspec colwidth="1*"/>
                        <colspec colwidth="4*"/>
                        <tbody>
                            <row>
                                <entry>*file_list</entry>
                                <entry>
<para>list of model parameter file names. </para>
</entry>
                            </row>
                            <row>
                                <entry>&amp;paramfile</entry>
                                <entry>
<para>parameter file. </para>
</entry>
                            </row>
                        </tbody>
                        </tgroup>
                    </table>
                    </para>
                </formalpara>
                <formalpara><title>Returns: </title>

<para>Bmodel* model parameters. </para>
</formalpara>
</para>
<para>
Definition at line 25 of file rwmodel_mol.cpp.</para>
    </section><anchor xml:id="_rwmodel__mol_8cpp_1a16f4f864ed5d6c038af63d2de4a98c57"/>    <section>
    <title>write_model_molecule()</title>
<indexterm><primary>write_model_molecule</primary><secondary>rwmodel_mol.cpp</secondary></indexterm>
<indexterm><primary>rwmodel_mol.cpp</primary><secondary>write_model_molecule</secondary></indexterm>
<para><computeroutput>int write_model_molecule (<link linkend="_class_bstring">Bstring</link> &amp; filename, <link linkend="_struct_bmodel">Bmodel</link> * model)</computeroutput></para><para>

<para>Writes molecular model parameters. </para>
</para>

<para>
                <formalpara>
                    <title>
Parameters                    </title>
                    <para>
                    <table frame="all">
                        <tgroup cols="2" align="left" colsep="1" rowsep="1">
                        <colspec colwidth="1*"/>
                        <colspec colwidth="4*"/>
                        <tbody>
                            <row>
                                <entry>&amp;filename</entry>
                                <entry>
<para>model parameter file name. </para>
</entry>
                            </row>
                            <row>
                                <entry>*model</entry>
                                <entry>
<para>model parameters. </para>
</entry>
                            </row>
                        </tbody>
                        </tgroup>
                    </table>
                    </para>
                </formalpara>
                <formalpara><title>Returns: </title>

<para>int models written. </para>
</formalpara>
</para>
<para>
Definition at line 100 of file rwmodel_mol.cpp.</para>
</section>
</section>
<section>
<title>Variable Documentation</title>
<anchor xml:id="_rwmodel__mol_8cpp_1a0b2caeb4b6f130be43e5a2f0267dd453"/>    <section>
    <title>verbose</title>
<indexterm><primary>verbose</primary><secondary>rwmodel_mol.cpp</secondary></indexterm>
<indexterm><primary>rwmodel_mol.cpp</primary><secondary>verbose</secondary></indexterm>
<para><computeroutput>int verbose</computeroutput></para></section>
</section>
</section>
