<!DOCTYPE HTML PUBLIC "-//W3C//DTD HTML 4.01 Transitional//EN" "http://www.w3.org/TR/html40/loose.dtd"> <html> <head> <title>Class: atom</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: atom</font> </th> <th bgcolor="#88bbee" width="90%" align="right"><font color="#000000">../bkchem/atom.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="Base Classes">Base Classes</a> </font> </th> <th bgcolor="#99ccff" valign="top" align="left" width="80%" > <font color="#000000"> </font> </th> </tr> <tr> <td> drawable_chem_vertex<br> oasa.atom<br> </td></tr> </table> <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> <table border="0" cellspacing="2" cellpadding="2" width="100%"> <tr> <td align="LEFT" valign="TOP"> <a href="#__init__">__init__</a><br> <a href="#__str__">__str__</a><br> <a href="#after_undo">after_undo</a><br> <a href="#bbox">bbox</a><br> <a href="#decide_pos">decide_pos</a><br> <a href="#draw">draw</a><br> <a href="#focus">focus</a><br> <a href="#generate_marks_from_cheminfo">generate_marks_from_cheminfo</a><br> <a href="#get_charge_from_marks">get_charge_from_marks</a><br> <a href="#get_formula_dict">get_formula_dict</a><br> </td> <td align="LEFT" valign="TOP"> <a href="#get_package">get_package</a><br> <a href="#read_package">read_package</a><br> <a href="#select">select</a><br> <a href="#set_name">set_name</a><br> <a href="#set_valency_from_name">set_valency_from_name</a><br> <a href="#split_element_and_charge">split_element_and_charge</a><br> <a href="#unfocus">unfocus</a><br> <a href="#unselect">unselect</a><br> <a href="#update_after_valency_change">update_after_valency_change</a><br> </td> </tr> </table> <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, standard=None, xy=(), package=None, molecule=None, ) </pre></font> <tr> <th bgcolor="#99ccff" rowspan="2" valign="top" align="left" width="20%" > <font color="#000000"> <a name="__str__"></a> </font> </th> <th bgcolor="#99ccff" valign="top" align="left" width="80%" > <font color="#000000">__str__ </font> </th> </tr> <tr> <td> <font color="#000088"><pre> __str__ ( self ) </pre></font> <tr> <th bgcolor="#99ccff" rowspan="2" valign="top" align="left" width="20%" > <font color="#000000"> <a name="after_undo"></a> </font> </th> <th bgcolor="#99ccff" valign="top" align="left" width="80%" > <font color="#000000">after_undo </font> </th> </tr> <tr> <td> <font color="#000088"><pre> after_undo ( self ) </pre></font> <p>this is run after undo</p> <tr> <th bgcolor="#99ccff" rowspan="2" valign="top" align="left" width="20%" > <font color="#000000"> <a name="bbox"></a> </font> </th> <th bgcolor="#99ccff" valign="top" align="left" width="80%" > <font color="#000000">bbox </font> </th> </tr> <tr> <td> <font color="#000088"><pre> bbox ( self ) </pre></font> <p>returns the bounding box of the object as a list of <a href="#refx1,y1,x2,y2">[x1,y1,x2,y2]</a></p> <tr> <th bgcolor="#99ccff" rowspan="2" valign="top" align="left" width="20%" > <font color="#000000"> <a name="decide_pos"></a> </font> </th> <th bgcolor="#99ccff" valign="top" align="left" width="80%" > <font color="#000000">decide_pos </font> </th> </tr> <tr> <td> <font color="#000088"><pre> decide_pos ( self ) </pre></font> <tr> <th bgcolor="#99ccff" rowspan="2" valign="top" align="left" width="20%" > <font color="#000000"> <a name="draw"></a> </font> </th> <th bgcolor="#99ccff" valign="top" align="left" width="80%" > <font color="#000000">draw </font> </th> </tr> <tr> <td> <font color="#000088"><pre> draw ( self, redraw=False ) </pre></font> <p>draws atom with respect to its properties</p> <tr> <th bgcolor="#99ccff" rowspan="2" valign="top" align="left" width="20%" > <font color="#000000"> <a name="focus"></a> </font> </th> <th bgcolor="#99ccff" valign="top" align="left" width="80%" > <font color="#000000">focus </font> </th> </tr> <tr> <td> <font color="#000088"><pre> focus ( self ) </pre></font> <tr> <th bgcolor="#99ccff" rowspan="2" valign="top" align="left" width="20%" > <font color="#000000"> <a name="generate_marks_from_cheminfo"></a> </font> </th> <th bgcolor="#99ccff" valign="top" align="left" width="80%" > <font color="#000000">generate_marks_from_cheminfo </font> </th> </tr> <tr> <td> <font color="#000088"><pre> generate_marks_from_cheminfo ( self ) </pre></font> <tr> <th bgcolor="#99ccff" rowspan="2" valign="top" align="left" width="20%" > <font color="#000000"> <a name="get_charge_from_marks"></a> </font> </th> <th bgcolor="#99ccff" valign="top" align="left" width="80%" > <font color="#000000">get_charge_from_marks </font> </th> </tr> <tr> <td> <font color="#000088"><pre> get_charge_from_marks ( self ) </pre></font> <tr> <th bgcolor="#99ccff" rowspan="2" valign="top" align="left" width="20%" > <font color="#000000"> <a name="get_formula_dict"></a> </font> </th> <th bgcolor="#99ccff" valign="top" align="left" width="80%" > <font color="#000000">get_formula_dict </font> </th> </tr> <tr> <td> <font color="#000088"><pre> get_formula_dict ( self ) </pre></font> <p>returns formula as dictionary that can be passed to functions in periodic_table</p> <tr> <th bgcolor="#99ccff" rowspan="2" valign="top" align="left" width="20%" > <font color="#000000"> <a name="get_package"></a> </font> </th> <th bgcolor="#99ccff" valign="top" align="left" width="80%" > <font color="#000000">get_package </font> </th> </tr> <tr> <td> <font color="#000088"><pre> get_package ( self, doc ) </pre></font> <p>returns a DOM element describing the object in CDML, doc is the parent document which is used for element creation (the returned element is not inserted into the document)</p> <tr> <th bgcolor="#99ccff" rowspan="2" valign="top" align="left" width="20%" > <font color="#000000"> <a name="read_package"></a> </font> </th> <th bgcolor="#99ccff" valign="top" align="left" width="80%" > <font color="#000000">read_package </font> </th> </tr> <tr> <td> <font color="#000088"><pre> read_package ( self, package ) </pre></font> <p>reads the dom element package and sets internal state according to it</p> <tr> <th bgcolor="#99ccff" rowspan="2" valign="top" align="left" width="20%" > <font color="#000000"> <a name="select"></a> </font> </th> <th bgcolor="#99ccff" valign="top" align="left" width="80%" > <font color="#000000">select </font> </th> </tr> <tr> <td> <font color="#000088"><pre> select ( self ) </pre></font> <tr> <th bgcolor="#99ccff" rowspan="2" valign="top" align="left" width="20%" > <font color="#000000"> <a name="set_name"></a> </font> </th> <th bgcolor="#99ccff" valign="top" align="left" width="80%" > <font color="#000000">set_name </font> </th> </tr> <tr> <td> <font color="#000088"><pre> set_name ( self, name, interpret=1, check_valency=1, occupied_valency=None, ) </pre></font> <tr> <th bgcolor="#99ccff" rowspan="2" valign="top" align="left" width="20%" > <font color="#000000"> <a name="set_valency_from_name"></a> </font> </th> <th bgcolor="#99ccff" valign="top" align="left" width="80%" > <font color="#000000">set_valency_from_name </font> </th> </tr> <tr> <td> <font color="#000088"><pre> set_valency_from_name ( self ) </pre></font> <tr> <th bgcolor="#99ccff" rowspan="2" valign="top" align="left" width="20%" > <font color="#000000"> <a name="split_element_and_charge"></a> </font> </th> <th bgcolor="#99ccff" valign="top" align="left" width="80%" > <font color="#000000">split_element_and_charge </font> </th> </tr> <tr> <td> <font color="#000088"><pre> split_element_and_charge ( self, txt ) </pre></font> <p>returns tuple of (element, charge) or None if the text does not match this pattern</p> <tr> <th bgcolor="#99ccff" rowspan="2" valign="top" align="left" width="20%" > <font color="#000000"> <a name="unfocus"></a> </font> </th> <th bgcolor="#99ccff" valign="top" align="left" width="80%" > <font color="#000000">unfocus </font> </th> </tr> <tr> <td> <font color="#000088"><pre> unfocus ( self ) </pre></font> <tr> <th bgcolor="#99ccff" rowspan="2" valign="top" align="left" width="20%" > <font color="#000000"> <a name="unselect"></a> </font> </th> <th bgcolor="#99ccff" valign="top" align="left" width="80%" > <font color="#000000">unselect </font> </th> </tr> <tr> <td> <font color="#000088"><pre> unselect ( self ) </pre></font> <tr> <th bgcolor="#99ccff" rowspan="2" valign="top" align="left" width="20%" > <font color="#000000"> <a name="update_after_valency_change"></a> </font> </th> <th bgcolor="#99ccff" valign="top" align="left" width="80%" > <font color="#000000">update_after_valency_change </font> </th> </tr> <tr> <td> <font color="#000088"><pre> update_after_valency_change ( self ) </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>