<?xml version='1.0' encoding='UTF-8' standalone='no'?>
<section xmlns="http://docbook.org/ns/docbook" version="5.0" xmlns:xlink="http://www.w3.org/1999/xlink" xml:id="_rwsymop_8h">
<title>/Users/bernard/b20/bsoft/include/rwsymop.h File Reference</title>
<indexterm><primary>/Users/bernard/b20/bsoft/include/rwsymop.h</primary></indexterm>
<para>

<para>Header file for reading and writing symmetry operators. </para>
 
</para>
<programlisting>#include &quot;symmetry.h&quot;
#include &quot;rwimg.h&quot;
#include &quot;View.h&quot;
</programlisting><simplesect>
    <title>Functions    </title>
        <itemizedlist>
            <listitem><para>float * <link linkend="_rwsymop_8h_1a53a51e074d2e72f676765259611a0b7b">read_symat</link> (<link linkend="_class_bstring">Bstring</link> &amp;filename, int spacegroup, int &amp;nsym)</para>

<para>Reading crystallographic symmetry operators. </para>
</listitem>
            <listitem><para>char * <link linkend="_rwsymop_8h_1ae1150e37eb1c548f7c95ce57979a38e7">read_symop</link> (<link linkend="_class_bstring">Bstring</link> &amp;filename, int spacegroup, int &amp;nsym)</para>

<para>Reading crystallographic symmetry operators. </para>
</listitem>
            <listitem><para>int <link linkend="_rwsymop_8h_1a823f25c91233631d699dc22eb0e96c8a">write_symat</link> (<link linkend="_class_bstring">Bstring</link> &amp;filename, int spacegroup)</para>

<para>Writing crystallographic symmetry operators. </para>
</listitem>
            <listitem><para>int <link linkend="_rwsymop_8h_1a758e973eed207a9f6a2587de14ee64ed">write_pointgroup</link> (<link linkend="_class_bstring">Bstring</link> &amp;filename, <link linkend="_class_bstring">Bstring</link> &amp;symmetry_string, <link linkend="_class_view">View</link> ref_view)</para>

<para>Writing point group symmetry operators. </para>
</listitem>
            <listitem><para>int <link linkend="_rwsymop_8h_1abfb1f3306f1061fd5958c663ac44b2c2">write_pointgroup</link> (<link linkend="_class_bstring">Bstring</link> &amp;filename, <link linkend="_struct_bsymmetry">Bsymmetry</link> *sym, <link linkend="_class_view">View</link> ref_view)</para>
</listitem>
        </itemizedlist>
</simplesect>
<section>
<title>Detailed Description</title>

<para>Header file for reading and writing symmetry operators. </para>

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

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

<para>Created: 19990509 </para>

<para>Modified: 20070621 </para>
</formalpara>
</para>
</section>
<section>
<title>Function Documentation</title>
<anchor xml:id="_rwsymop_8h_1a53a51e074d2e72f676765259611a0b7b"/>    <section>
    <title>read_symat()</title>
<indexterm><primary>read_symat</primary><secondary>rwsymop.h</secondary></indexterm>
<indexterm><primary>rwsymop.h</primary><secondary>read_symat</secondary></indexterm>
<para><computeroutput>float* read_symat (<link linkend="_class_bstring">Bstring</link> &amp; filename, int spacegroup, int &amp; nsym)</computeroutput></para><para>

<para>Reading crystallographic symmetry operators. </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>file name. </para>
</entry>
                            </row>
                            <row>
                                <entry>spacegroup</entry>
                                <entry>
<para>crystal space group number. </para>
</entry>
                            </row>
                            <row>
                                <entry>&amp;nsym</entry>
                                <entry>
<para>number of symmetry operators. </para>
</entry>
                            </row>
                        </tbody>
                        </tgroup>
                    </table>
                    </para>
                </formalpara>
                <formalpara><title>Returns: </title>

<para>float* set of 12-value symmetry matrices. <literallayout><computeroutput>The symmetry operators are encoded as a set of matrices.
</computeroutput></literallayout> </para>
</formalpara>
</para>
<para>
Definition at line 34 of file rwsymop.cpp.</para>
    </section><anchor xml:id="_rwsymop_8h_1ae1150e37eb1c548f7c95ce57979a38e7"/>    <section>
    <title>read_symop()</title>
<indexterm><primary>read_symop</primary><secondary>rwsymop.h</secondary></indexterm>
<indexterm><primary>rwsymop.h</primary><secondary>read_symop</secondary></indexterm>
<para><computeroutput>char* read_symop (<link linkend="_class_bstring">Bstring</link> &amp; filename, int spacegroup, int &amp; nsym)</computeroutput></para><para>

<para>Reading crystallographic symmetry operators. </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>file name. </para>
</entry>
                            </row>
                            <row>
                                <entry>spacegroup</entry>
                                <entry>
<para>crystal space group number. </para>
</entry>
                            </row>
                            <row>
                                <entry>&amp;nsym</entry>
                                <entry>
<para>number of symmetry operators. </para>
</entry>
                            </row>
                        </tbody>
                        </tgroup>
                    </table>
                    </para>
                </formalpara>
                <formalpara><title>Returns: </title>

<para>char* set of 12-value symmetry matrices. <literallayout><computeroutput>The symmetry operators are encoded as 80 character lines.
</computeroutput></literallayout> </para>
</formalpara>
</para>
<para>
Definition at line 59 of file rwsymop.cpp.</para>
    </section><anchor xml:id="_rwsymop_8h_1a758e973eed207a9f6a2587de14ee64ed"/>    <section>
    <title>write_pointgroup()<computeroutput>[1/2]</computeroutput></title>
<indexterm><primary>write_pointgroup</primary><secondary>rwsymop.h</secondary></indexterm>
<indexterm><primary>rwsymop.h</primary><secondary>write_pointgroup</secondary></indexterm>
<para><computeroutput>int write_pointgroup (<link linkend="_class_bstring">Bstring</link> &amp; filename, <link linkend="_class_bstring">Bstring</link> &amp; symmetry_string, <link linkend="_class_view">View</link> ref_view)</computeroutput></para><para>

<para>Writing point group symmetry operators. </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>file name. </para>
</entry>
                            </row>
                            <row>
                                <entry>&amp;symmetry_string</entry>
                                <entry>
<para>symmetry string. </para>
</entry>
                            </row>
                            <row>
                                <entry>ref_view</entry>
                                <entry>
<para>reference view. </para>
</entry>
                            </row>
                        </tbody>
                        </tgroup>
                    </table>
                    </para>
                </formalpara>
                <formalpara><title>Returns: </title>

<para>int error code (&lt;0 means failure). </para>
</formalpara>
</para>
<para>
Definition at line 124 of file rwsymop.cpp.</para>
    </section><anchor xml:id="_rwsymop_8h_1abfb1f3306f1061fd5958c663ac44b2c2"/>    <section>
    <title>write_pointgroup()<computeroutput>[2/2]</computeroutput></title>
<indexterm><primary>write_pointgroup</primary><secondary>rwsymop.h</secondary></indexterm>
<indexterm><primary>rwsymop.h</primary><secondary>write_pointgroup</secondary></indexterm>
<para><computeroutput>int write_pointgroup (<link linkend="_class_bstring">Bstring</link> &amp; filename, <link linkend="_struct_bsymmetry">Bsymmetry</link> * sym, <link linkend="_class_view">View</link> ref_view)</computeroutput></para><para>
Definition at line 135 of file rwsymop.cpp.</para>
    </section><anchor xml:id="_rwsymop_8h_1a823f25c91233631d699dc22eb0e96c8a"/>    <section>
    <title>write_symat()</title>
<indexterm><primary>write_symat</primary><secondary>rwsymop.h</secondary></indexterm>
<indexterm><primary>rwsymop.h</primary><secondary>write_symat</secondary></indexterm>
<para><computeroutput>int write_symat (<link linkend="_class_bstring">Bstring</link> &amp; filename, int spacegroup)</computeroutput></para><para>

<para>Writing crystallographic symmetry operators. </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>file name. </para>
</entry>
                            </row>
                            <row>
                                <entry>spacegroup</entry>
                                <entry>
<para>crystal space group number. </para>
</entry>
                            </row>
                        </tbody>
                        </tgroup>
                    </table>
                    </para>
                </formalpara>
                <formalpara><title>Returns: </title>

<para>int error code (&lt;0 means failure). </para>
</formalpara>
</para>
<para>
Definition at line 101 of file rwsymop.cpp.</para>
</section>
</section>
</section>
