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<section xmlns="http://docbook.org/ns/docbook" version="5.0" xmlns:xlink="http://www.w3.org/1999/xlink" xml:id="_rwsymop_8cpp">
<title>/Users/bernard/b20/bsoft/src/rwparam/rwsymop.cpp File Reference</title>
<indexterm><primary>/Users/bernard/b20/bsoft/src/rwparam/rwsymop.cpp</primary></indexterm>
<para>

<para>Library routines to read and write symmetry operators. </para>
 
</para>
<programlisting>#include &quot;rwsymop.h&quot;
#include &quot;rwstar.h&quot;
#include &quot;sym_tags.h&quot;
#include &quot;linked_list.h&quot;
#include &quot;utilities.h&quot;
</programlisting><simplesect>
    <title>Functions    </title>
        <itemizedlist>
            <listitem><para>char * <link linkend="_rwsymop_8cpp_1adc8b5e0b4f6e027cf97dfd62c320bf63">read_symop_star</link> (<link linkend="_class_bstring">Bstring</link> &amp;filename, int spacegroup, int &amp;nsym)</para>
</listitem>
            <listitem><para>char * <link linkend="_rwsymop_8cpp_1a81c8d88a3914df8f5205b6305057fb8d">read_symop_lib</link> (<link linkend="_class_bstring">Bstring</link> &amp;filename, int spacegroup, int &amp;nsym)</para>
</listitem>
            <listitem><para>int <link linkend="_rwsymop_8cpp_1adcc8c132a7983a882f6bd4c8cab5d25c">write_symop_star</link> (<link linkend="_class_bstring">Bstring</link> &amp;filename, int spacegroup, int nsym, char *symop, int line_len)</para>
</listitem>
            <listitem><para>int <link linkend="_rwsymop_8cpp_1a7e36ba9462fa07fcc5b48cec29a1bb83">write_star_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>
            <listitem><para>float * <link linkend="_rwsymop_8cpp_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_8cpp_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_8cpp_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_8cpp_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_8cpp_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>
<simplesect>
    <title>Variables    </title>
        <itemizedlist>
            <listitem><para>int <link linkend="_rwsymop_8cpp_1a0b2caeb4b6f130be43e5a2f0267dd453">verbose</link></para>
</listitem>
        </itemizedlist>
</simplesect>
<section>
<title>Detailed Description</title>

<para>Library routines to read and write symmetry operators. </para>

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

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

<para>Created: 19991225 </para>

<para>Modified: 20110804 </para>
</formalpara>
</para>
</section>
<section>
<title>Function Documentation</title>
<anchor xml:id="_rwsymop_8cpp_1a53a51e074d2e72f676765259611a0b7b"/>    <section>
    <title>read_symat()</title>
<indexterm><primary>read_symat</primary><secondary>rwsymop.cpp</secondary></indexterm>
<indexterm><primary>rwsymop.cpp</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_8cpp_1ae1150e37eb1c548f7c95ce57979a38e7"/>    <section>
    <title>read_symop()</title>
<indexterm><primary>read_symop</primary><secondary>rwsymop.cpp</secondary></indexterm>
<indexterm><primary>rwsymop.cpp</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_8cpp_1a81c8d88a3914df8f5205b6305057fb8d"/>    <section>
    <title>read_symop_lib()</title>
<indexterm><primary>read_symop_lib</primary><secondary>rwsymop.cpp</secondary></indexterm>
<indexterm><primary>rwsymop.cpp</primary><secondary>read_symop_lib</secondary></indexterm>
<para><computeroutput>char * read_symop_lib (<link linkend="_class_bstring">Bstring</link> &amp; filename, int spacegroup, int &amp; nsym)</computeroutput></para><para>
Definition at line 184 of file rwsymop.cpp.</para>
    </section><anchor xml:id="_rwsymop_8cpp_1adc8b5e0b4f6e027cf97dfd62c320bf63"/>    <section>
    <title>read_symop_star()</title>
<indexterm><primary>read_symop_star</primary><secondary>rwsymop.cpp</secondary></indexterm>
<indexterm><primary>rwsymop.cpp</primary><secondary>read_symop_star</secondary></indexterm>
<para><computeroutput>char * read_symop_star (<link linkend="_class_bstring">Bstring</link> &amp; filename, int spacegroup, int &amp; nsym)</computeroutput></para><para>
Definition at line 150 of file rwsymop.cpp.</para>
    </section><anchor xml:id="_rwsymop_8cpp_1a758e973eed207a9f6a2587de14ee64ed"/>    <section>
    <title>write_pointgroup()<computeroutput>[1/2]</computeroutput></title>
<indexterm><primary>write_pointgroup</primary><secondary>rwsymop.cpp</secondary></indexterm>
<indexterm><primary>rwsymop.cpp</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_8cpp_1abfb1f3306f1061fd5958c663ac44b2c2"/>    <section>
    <title>write_pointgroup()<computeroutput>[2/2]</computeroutput></title>
<indexterm><primary>write_pointgroup</primary><secondary>rwsymop.cpp</secondary></indexterm>
<indexterm><primary>rwsymop.cpp</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_8cpp_1a7e36ba9462fa07fcc5b48cec29a1bb83"/>    <section>
    <title>write_star_pointgroup()</title>
<indexterm><primary>write_star_pointgroup</primary><secondary>rwsymop.cpp</secondary></indexterm>
<indexterm><primary>rwsymop.cpp</primary><secondary>write_star_pointgroup</secondary></indexterm>
<para><computeroutput>int write_star_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 300 of file rwsymop.cpp.</para>
    </section><anchor xml:id="_rwsymop_8cpp_1a823f25c91233631d699dc22eb0e96c8a"/>    <section>
    <title>write_symat()</title>
<indexterm><primary>write_symat</primary><secondary>rwsymop.cpp</secondary></indexterm>
<indexterm><primary>rwsymop.cpp</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><anchor xml:id="_rwsymop_8cpp_1adcc8c132a7983a882f6bd4c8cab5d25c"/>    <section>
    <title>write_symop_star()</title>
<indexterm><primary>write_symop_star</primary><secondary>rwsymop.cpp</secondary></indexterm>
<indexterm><primary>rwsymop.cpp</primary><secondary>write_symop_star</secondary></indexterm>
<para><computeroutput>int write_symop_star (<link linkend="_class_bstring">Bstring</link> &amp; filename, int spacegroup, int nsym, char * symop, int line_len)</computeroutput></para><para>
Definition at line 256 of file rwsymop.cpp.</para>
</section>
</section>
<section>
<title>Variable Documentation</title>
<anchor xml:id="_rwsymop_8cpp_1a0b2caeb4b6f130be43e5a2f0267dd453"/>    <section>
    <title>verbose</title>
<indexterm><primary>verbose</primary><secondary>rwsymop.cpp</secondary></indexterm>
<indexterm><primary>rwsymop.cpp</primary><secondary>verbose</secondary></indexterm>
<para><computeroutput>int verbose</computeroutput></para></section>
</section>
</section>
