<!DOCTYPE HTML PUBLIC "-//W3C//DTD HTML 4.01 Transitional//EN" "http://www.w3.org/TR/html40/loose.dtd"> <html> <head> <title>Class: coords_generator</title> </head> <body bgcolor="#ffffff"> <p><i><a href="../../../../index.html">Table of Contents</a></i></p> <table border="0" cellpadding="5" cellspacing="0" width="100%"> <tr> <th rowspan="2" valign="top" align="left" width="10%" bgcolor="#88bbee"><font color="#000000">Class: coords_generator</font> </th> <th bgcolor="#88bbee" width="90%" align="right"><font color="#000000">../bkchem/oasa/oasa/coords_generator.py</font> </th> </tr> <tr> <td> <table border="0" cellpadding="5" cellspacing="0" width="100%"> <tr> <th bgcolor="#99ccff" rowspan="2" valign="top" align="left" width="20%" > <font color="#000000"> <a name="Methods">Methods</a> </font> </th> <th bgcolor="#99ccff" valign="top" align="left" width="80%" > <font color="#000000"> </font> </th> </tr> <tr> <td> <a href="#__init__">__init__</a><br> <a href="#apply_gen_to_atoms">apply_gen_to_atoms</a><br> <a href="#calculate_coords">calculate_coords</a><br> <a href="#process_all_anelated_rings">process_all_anelated_rings</a><br> <a href="#process_atom_neigbors">process_atom_neigbors</a><br> <a href="#process_one_anelated_ring">process_one_anelated_ring</a><br> <tr> <th bgcolor="#99ccff" rowspan="2" valign="top" align="left" width="20%" > <font color="#000000"> <a name="__init__"></a> </font> </th> <th bgcolor="#99ccff" valign="top" align="left" width="80%" > <font color="#000000">__init__ </font> </th> </tr> <tr> <td> <font color="#000088"><pre> __init__ ( self, bond_length=1 ) </pre></font> <tr> <th bgcolor="#99ccff" rowspan="2" valign="top" align="left" width="20%" > <font color="#000000"> <a name="apply_gen_to_atoms"></a> </font> </th> <th bgcolor="#99ccff" valign="top" align="left" width="80%" > <font color="#000000">apply_gen_to_atoms </font> </th> </tr> <tr> <td> <font color="#000088"><pre> apply_gen_to_atoms ( self, gen, atoms, start, bond_length=None, ) </pre></font> <tr> <th bgcolor="#99ccff" rowspan="2" valign="top" align="left" width="20%" > <font color="#000000"> <a name="calculate_coords"></a> </font> </th> <th bgcolor="#99ccff" valign="top" align="left" width="80%" > <font color="#000000">calculate_coords </font> </th> </tr> <tr> <td> <font color="#000088"><pre> calculate_coords ( self, mol, bond_length=0, force=0, ) </pre></font> <p>the bond_length (when given) sets the self.bond_length, if bond_length == -1 we suppose that there is already part of the molecule containing coords and we calculate the bond_length from it; force says if we should recalc all coords</p> <tr> <th bgcolor="#99ccff" rowspan="2" valign="top" align="left" width="20%" > <font color="#000000"> <a name="process_all_anelated_rings"></a> </font> </th> <th bgcolor="#99ccff" valign="top" align="left" width="80%" > <font color="#000000">process_all_anelated_rings </font> </th> </tr> <tr> <td> <font color="#000088"><pre> process_all_anelated_rings ( self, base ) </pre></font> <tr> <th bgcolor="#99ccff" rowspan="2" valign="top" align="left" width="20%" > <font color="#000000"> <a name="process_atom_neigbors"></a> </font> </th> <th bgcolor="#99ccff" valign="top" align="left" width="80%" > <font color="#000000">process_atom_neigbors </font> </th> </tr> <tr> <td> <font color="#000088"><pre> process_atom_neigbors ( self, v ) </pre></font> <tr> <th bgcolor="#99ccff" rowspan="2" valign="top" align="left" width="20%" > <font color="#000000"> <a name="process_one_anelated_ring"></a> </font> </th> <th bgcolor="#99ccff" valign="top" align="left" width="80%" > <font color="#000000">process_one_anelated_ring </font> </th> </tr> <tr> <td> <font color="#000088"><pre> process_one_anelated_ring ( self, base ) </pre></font> </td></tr> </td></tr> </table> </td> </tr> </table> <hr> <p><i><a href="../../../../index.html">Table of Contents</a></i></p> <font size="-2"><i>This document was automatically generated on Tue Dec 12 13:46:43 2006 by <a href="http://happydoc.sourceforge.net">HappyDoc</a> version 2.1</i></font> </body> </html>