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<section xmlns="http://docbook.org/ns/docbook" version="5.0" xmlns:xlink="http://www.w3.org/1999/xlink" xml:id="_struct_bmolgroup">
<title>Bmolgroup Struct Reference</title>
<indexterm><primary>Bmolgroup</primary></indexterm>
<para>
<computeroutput>#include &lt;rwmolecule.h&gt;</computeroutput>
</para>
<simplesect>
    <title>Public Attributes    </title>
        <itemizedlist>
            <listitem><para><link linkend="_struct_bmolgroup">Bmolgroup</link> * <link linkend="_struct_bmolgroup_1a307fb2edb01cb46e4a62bc048f5ed9a8">next</link></para>
</listitem>
            <listitem><para><link linkend="_class_bstring">Bstring</link> <link linkend="_struct_bmolgroup_1a8901e900a40a3290bf5c46063cd5ffbb">filename</link></para>
</listitem>
            <listitem><para>int <link linkend="_struct_bmolgroup_1a73fd417ecf92af7b497aec99f0869e7b">num</link></para>
</listitem>
            <listitem><para><link linkend="_class_bstring">Bstring</link> <link linkend="_struct_bmolgroup_1aabac9ce16c8f2ce5ec1e23e0f522e6af">id</link></para>
</listitem>
            <listitem><para><link linkend="_class_bstring">Bstring</link> <link linkend="_struct_bmolgroup_1a971b6200f3c53842826f04f1762cca84">comment</link></para>
</listitem>
            <listitem><para>int <link linkend="_struct_bmolgroup_1a810945ed33923e9e1c026f3300c10b42">spacegroup</link></para>
</listitem>
            <listitem><para><link linkend="_class_bstring">Bstring</link> <link linkend="_struct_bmolgroup_1a60b9cd4e3188a0eee02209b679cb1892">pointgroup</link></para>
</listitem>
            <listitem><para><link linkend="_class_bstring">Bstring</link> <link linkend="_struct_bmolgroup_1a1998f6fc394f9ca17010dd5f52288478">sgstring</link></para>
</listitem>
            <listitem><para><link linkend="_class_unit_cell">UnitCell</link> <link linkend="_struct_bmolgroup_1ad04c6aa5a2297e16717c1ce09051ec1e">unitcell</link></para>
</listitem>
            <listitem><para>long <link linkend="_struct_bmolgroup_1a2042aabb33ee98a68fd18e3dd0b2fda8">maxlen</link></para>
</listitem>
            <listitem><para>long <link linkend="_struct_bmolgroup_1a6121f51b04d863dcbd7bfb0b1dd464d8">maxnalen</link></para>
</listitem>
            <listitem><para><link linkend="_class_vector3">Vector3</link>&lt; double &gt; <link linkend="_struct_bmolgroup_1a2405046a8fe3edf4c969b09de81ec8cc">min</link></para>
</listitem>
            <listitem><para><link linkend="_class_vector3">Vector3</link>&lt; double &gt; <link linkend="_struct_bmolgroup_1a7c0d08cd111c1b80e4fe846341519ff5">max</link></para>
</listitem>
            <listitem><para><link linkend="_class_vector3">Vector3</link>&lt; double &gt; <link linkend="_struct_bmolgroup_1a095410254647f38a085a74350b7207c2">box</link></para>
</listitem>
            <listitem><para><link linkend="_class_bstring">Bstring</link> <link linkend="_struct_bmolgroup_1a15e989c1ffd4ae8dd30bdbfbcaaa67f1">select</link></para>
</listitem>
            <listitem><para>int <link linkend="_struct_bmolgroup_1adc323ff90ffc050d3d38a2327b5aa5d7">sel</link></para>
</listitem>
            <listitem><para>double <link linkend="_struct_bmolgroup_1ae4c452f112b990a40f6f25f7d846b3cb">fom</link></para>
</listitem>
            <listitem><para>int * <link linkend="_struct_bmolgroup_1a5ccf1be0e46100bebe35af9b56f4a159">seqflag</link></para>
</listitem>
            <listitem><para><link linkend="_struct_bmolecule">Bmolecule</link> * <link linkend="_struct_bmolgroup_1a33c43a84ac9585500439f2498b691322">mol</link></para>
</listitem>
            <listitem><para><link linkend="_struct_bbond">Bbond</link> * <link linkend="_struct_bmolgroup_1a2788edff92304731e3ccdccfa2d3473c">bond</link></para>
</listitem>
            <listitem><para><link linkend="_struct_bangle">Bangle</link> * <link linkend="_struct_bmolgroup_1a9e65abb8fbdfe617c4c6988913b8aabb">angle</link></para>
</listitem>
        </itemizedlist>
</simplesect>
<section>
<title>Detailed Description</title>
<para>
Definition at line 170 of file rwmolecule.h.</para>
</section>
<section>
<title>Member Data Documentation</title>
<anchor xml:id="_struct_bmolgroup_1a9e65abb8fbdfe617c4c6988913b8aabb"/>    <section>
    <title>angle</title>
<indexterm><primary>angle</primary><secondary>Bmolgroup</secondary></indexterm>
<indexterm><primary>Bmolgroup</primary><secondary>angle</secondary></indexterm>
<para><computeroutput><link linkend="_struct_bangle">Bangle</link>* Bmolgroup::angle</computeroutput></para><para>
Definition at line 191 of file rwmolecule.h.</para>
    </section><anchor xml:id="_struct_bmolgroup_1a2788edff92304731e3ccdccfa2d3473c"/>    <section>
    <title>bond</title>
<indexterm><primary>bond</primary><secondary>Bmolgroup</secondary></indexterm>
<indexterm><primary>Bmolgroup</primary><secondary>bond</secondary></indexterm>
<para><computeroutput><link linkend="_struct_bbond">Bbond</link>* Bmolgroup::bond</computeroutput></para><para>
Definition at line 190 of file rwmolecule.h.</para>
    </section><anchor xml:id="_struct_bmolgroup_1a095410254647f38a085a74350b7207c2"/>    <section>
    <title>box</title>
<indexterm><primary>box</primary><secondary>Bmolgroup</secondary></indexterm>
<indexterm><primary>Bmolgroup</primary><secondary>box</secondary></indexterm>
<para><computeroutput><link linkend="_class_vector3">Vector3</link>&lt;double&gt; Bmolgroup::box</computeroutput></para><para>
Definition at line 184 of file rwmolecule.h.</para>
    </section><anchor xml:id="_struct_bmolgroup_1a971b6200f3c53842826f04f1762cca84"/>    <section>
    <title>comment</title>
<indexterm><primary>comment</primary><secondary>Bmolgroup</secondary></indexterm>
<indexterm><primary>Bmolgroup</primary><secondary>comment</secondary></indexterm>
<para><computeroutput><link linkend="_class_bstring">Bstring</link> Bmolgroup::comment</computeroutput></para><para>
Definition at line 175 of file rwmolecule.h.</para>
    </section><anchor xml:id="_struct_bmolgroup_1a8901e900a40a3290bf5c46063cd5ffbb"/>    <section>
    <title>filename</title>
<indexterm><primary>filename</primary><secondary>Bmolgroup</secondary></indexterm>
<indexterm><primary>Bmolgroup</primary><secondary>filename</secondary></indexterm>
<para><computeroutput><link linkend="_class_bstring">Bstring</link> Bmolgroup::filename</computeroutput></para><para>
Definition at line 172 of file rwmolecule.h.</para>
    </section><anchor xml:id="_struct_bmolgroup_1ae4c452f112b990a40f6f25f7d846b3cb"/>    <section>
    <title>fom</title>
<indexterm><primary>fom</primary><secondary>Bmolgroup</secondary></indexterm>
<indexterm><primary>Bmolgroup</primary><secondary>fom</secondary></indexterm>
<para><computeroutput>double Bmolgroup::fom</computeroutput></para><para>
Definition at line 187 of file rwmolecule.h.</para>
    </section><anchor xml:id="_struct_bmolgroup_1aabac9ce16c8f2ce5ec1e23e0f522e6af"/>    <section>
    <title>id</title>
<indexterm><primary>id</primary><secondary>Bmolgroup</secondary></indexterm>
<indexterm><primary>Bmolgroup</primary><secondary>id</secondary></indexterm>
<para><computeroutput><link linkend="_class_bstring">Bstring</link> Bmolgroup::id</computeroutput></para><para>
Definition at line 174 of file rwmolecule.h.</para>
    </section><anchor xml:id="_struct_bmolgroup_1a7c0d08cd111c1b80e4fe846341519ff5"/>    <section>
    <title>max</title>
<indexterm><primary>max</primary><secondary>Bmolgroup</secondary></indexterm>
<indexterm><primary>Bmolgroup</primary><secondary>max</secondary></indexterm>
<para><computeroutput><link linkend="_class_vector3">Vector3</link>&lt;double&gt; Bmolgroup::max</computeroutput></para><para>
Definition at line 183 of file rwmolecule.h.</para>
    </section><anchor xml:id="_struct_bmolgroup_1a2042aabb33ee98a68fd18e3dd0b2fda8"/>    <section>
    <title>maxlen</title>
<indexterm><primary>maxlen</primary><secondary>Bmolgroup</secondary></indexterm>
<indexterm><primary>Bmolgroup</primary><secondary>maxlen</secondary></indexterm>
<para><computeroutput>long Bmolgroup::maxlen</computeroutput></para><para>
Definition at line 180 of file rwmolecule.h.</para>
    </section><anchor xml:id="_struct_bmolgroup_1a6121f51b04d863dcbd7bfb0b1dd464d8"/>    <section>
    <title>maxnalen</title>
<indexterm><primary>maxnalen</primary><secondary>Bmolgroup</secondary></indexterm>
<indexterm><primary>Bmolgroup</primary><secondary>maxnalen</secondary></indexterm>
<para><computeroutput>long Bmolgroup::maxnalen</computeroutput></para><para>
Definition at line 181 of file rwmolecule.h.</para>
    </section><anchor xml:id="_struct_bmolgroup_1a2405046a8fe3edf4c969b09de81ec8cc"/>    <section>
    <title>min</title>
<indexterm><primary>min</primary><secondary>Bmolgroup</secondary></indexterm>
<indexterm><primary>Bmolgroup</primary><secondary>min</secondary></indexterm>
<para><computeroutput><link linkend="_class_vector3">Vector3</link>&lt;double&gt; Bmolgroup::min</computeroutput></para><para>
Definition at line 182 of file rwmolecule.h.</para>
    </section><anchor xml:id="_struct_bmolgroup_1a33c43a84ac9585500439f2498b691322"/>    <section>
    <title>mol</title>
<indexterm><primary>mol</primary><secondary>Bmolgroup</secondary></indexterm>
<indexterm><primary>Bmolgroup</primary><secondary>mol</secondary></indexterm>
<para><computeroutput><link linkend="_struct_bmolecule">Bmolecule</link>* Bmolgroup::mol</computeroutput></para><para>
Definition at line 189 of file rwmolecule.h.</para>
    </section><anchor xml:id="_struct_bmolgroup_1a307fb2edb01cb46e4a62bc048f5ed9a8"/>    <section>
    <title>next</title>
<indexterm><primary>next</primary><secondary>Bmolgroup</secondary></indexterm>
<indexterm><primary>Bmolgroup</primary><secondary>next</secondary></indexterm>
<para><computeroutput><link linkend="_struct_bmolgroup">Bmolgroup</link>* Bmolgroup::next</computeroutput></para><para>
Definition at line 171 of file rwmolecule.h.</para>
    </section><anchor xml:id="_struct_bmolgroup_1a73fd417ecf92af7b497aec99f0869e7b"/>    <section>
    <title>num</title>
<indexterm><primary>num</primary><secondary>Bmolgroup</secondary></indexterm>
<indexterm><primary>Bmolgroup</primary><secondary>num</secondary></indexterm>
<para><computeroutput>int Bmolgroup::num</computeroutput></para><para>
Definition at line 173 of file rwmolecule.h.</para>
    </section><anchor xml:id="_struct_bmolgroup_1a60b9cd4e3188a0eee02209b679cb1892"/>    <section>
    <title>pointgroup</title>
<indexterm><primary>pointgroup</primary><secondary>Bmolgroup</secondary></indexterm>
<indexterm><primary>Bmolgroup</primary><secondary>pointgroup</secondary></indexterm>
<para><computeroutput><link linkend="_class_bstring">Bstring</link> Bmolgroup::pointgroup</computeroutput></para><para>
Definition at line 177 of file rwmolecule.h.</para>
    </section><anchor xml:id="_struct_bmolgroup_1adc323ff90ffc050d3d38a2327b5aa5d7"/>    <section>
    <title>sel</title>
<indexterm><primary>sel</primary><secondary>Bmolgroup</secondary></indexterm>
<indexterm><primary>Bmolgroup</primary><secondary>sel</secondary></indexterm>
<para><computeroutput>int Bmolgroup::sel</computeroutput></para><para>
Definition at line 186 of file rwmolecule.h.</para>
    </section><anchor xml:id="_struct_bmolgroup_1a15e989c1ffd4ae8dd30bdbfbcaaa67f1"/>    <section>
    <title>select</title>
<indexterm><primary>select</primary><secondary>Bmolgroup</secondary></indexterm>
<indexterm><primary>Bmolgroup</primary><secondary>select</secondary></indexterm>
<para><computeroutput><link linkend="_class_bstring">Bstring</link> Bmolgroup::select</computeroutput></para><para>
Definition at line 185 of file rwmolecule.h.</para>
    </section><anchor xml:id="_struct_bmolgroup_1a5ccf1be0e46100bebe35af9b56f4a159"/>    <section>
    <title>seqflag</title>
<indexterm><primary>seqflag</primary><secondary>Bmolgroup</secondary></indexterm>
<indexterm><primary>Bmolgroup</primary><secondary>seqflag</secondary></indexterm>
<para><computeroutput>int* Bmolgroup::seqflag</computeroutput></para><para>
Definition at line 188 of file rwmolecule.h.</para>
    </section><anchor xml:id="_struct_bmolgroup_1a1998f6fc394f9ca17010dd5f52288478"/>    <section>
    <title>sgstring</title>
<indexterm><primary>sgstring</primary><secondary>Bmolgroup</secondary></indexterm>
<indexterm><primary>Bmolgroup</primary><secondary>sgstring</secondary></indexterm>
<para><computeroutput><link linkend="_class_bstring">Bstring</link> Bmolgroup::sgstring</computeroutput></para><para>
Definition at line 178 of file rwmolecule.h.</para>
    </section><anchor xml:id="_struct_bmolgroup_1a810945ed33923e9e1c026f3300c10b42"/>    <section>
    <title>spacegroup</title>
<indexterm><primary>spacegroup</primary><secondary>Bmolgroup</secondary></indexterm>
<indexterm><primary>Bmolgroup</primary><secondary>spacegroup</secondary></indexterm>
<para><computeroutput>int Bmolgroup::spacegroup</computeroutput></para><para>
Definition at line 176 of file rwmolecule.h.</para>
    </section><anchor xml:id="_struct_bmolgroup_1ad04c6aa5a2297e16717c1ce09051ec1e"/>    <section>
    <title>unitcell</title>
<indexterm><primary>unitcell</primary><secondary>Bmolgroup</secondary></indexterm>
<indexterm><primary>Bmolgroup</primary><secondary>unitcell</secondary></indexterm>
<para><computeroutput><link linkend="_class_unit_cell">UnitCell</link> Bmolgroup::unitcell</computeroutput></para><para>
Definition at line 179 of file rwmolecule.h.</para>
</section>
<para>
The documentation for this struct was generated from the following file:</para>
/Users/bernard/b20/bsoft/include/<link linkend="_rwmolecule_8h">rwmolecule.h</link></section>
</section>
