1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 55 56 57 58 59 60 61 62 63 64 65 66 67 68 69 70 71 72 73 74 75 76 77 78 79 80 81 82 83 84 85 86 87 88 89 90 91 92 93 94 95 96 97 98 99 100 101 102 103 104 105 106 107 108 109 110 111 112 113 114 115 116 117 118 119 120 121 122 123 124 125 126 127 128 129 130 131 132 133 134 135 136 137 138 139 140 141 142 143 144 145 146 147 148 149 150 151 152 153 154 155 156 157 158 159 160 161 162 163 164 165 166
|
<!DOCTYPE HTML PUBLIC "-//W3C//DTD HTML 4.01 Transitional//EN">
<html>
<head><meta http-equiv="Content-Type" content="text/html;charset=utf-8">
<title>erf.h Source File</title>
<link href="/site.css" rel="stylesheet" type="text/css">
<link href="doxygen.css" rel="stylesheet" type="text/css">
<link href="tabs.css" rel="stylesheet" type="text/css">
<script type="text/javascript" src="search/search.js"></script>
<link href="search/search.css" rel="stylesheet" type="text/css"/>
</head>
<body>
<!--#include file="header.html" -->
<!-- Generated by Doxygen 1.7.5.1 -->
<script type="text/javascript">
var searchBox = new SearchBox("searchBox", "search",false,'Search');
</script>
<div id="navrow1" class="tabs">
<ul class="tablist">
<li><a href="index.shtml"><span>Main Page</span></a></li>
<li><a href="pages.shtml"><span>Related Pages</span></a></li>
<li><a href="modules.shtml"><span>Modules</span></a></li>
<li><a href="namespaces.shtml"><span>Namespaces</span></a></li>
<li><a href="annotated.shtml"><span>Classes</span></a></li>
<li class="current"><a href="files.shtml"><span>Files</span></a></li>
<li><a href="examples.shtml"><span>Examples</span></a></li>
<li>
<div id="MSearchBox" class="MSearchBoxInactive">
<span class="left">
<img id="MSearchSelect" src="search/mag_sel.png"
onmouseover="return searchBox.OnSearchSelectShow()"
onmouseout="return searchBox.OnSearchSelectHide()"
alt=""/>
<input type="text" id="MSearchField" value="Search" accesskey="S"
onfocus="searchBox.OnSearchFieldFocus(true)"
onblur="searchBox.OnSearchFieldFocus(false)"
onkeyup="searchBox.OnSearchFieldChange(event)"/>
</span><span class="right">
<a id="MSearchClose" href="javascript:searchBox.CloseResultsWindow()"><img id="MSearchCloseImg" border="0" src="search/close.png" alt=""/></a>
</span>
</div>
</li>
</ul>
</div>
<div id="navrow2" class="tabs2">
<ul class="tablist">
<li><a href="files.shtml"><span>File List</span></a></li>
<li><a href="globals.shtml"><span>File Members</span></a></li>
</ul>
</div>
<div class="header">
<div class="headertitle">
<div class="title">erf.h</div> </div>
</div>
<div class="contents">
<a href="erf_8h.shtml">Go to the documentation of this file.</a><div class="fragment"><pre class="fragment"><a name="l00001"></a>00001 <span class="comment">//From http://www.digitalmars.com/archives/cplusplus/3634.html (Jan 2004)</span>
<a name="l00002"></a>00002 <span class="comment">//Author Steve Strand. No intellectual propery rights claimed.</span>
<a name="l00003"></a>00003 <span class="preprocessor">#ifndef OB_ERF_H</span>
<a name="l00004"></a>00004 <span class="preprocessor"></span><span class="preprocessor">#define OB_ERF_H</span>
<a name="l00005"></a>00005 <span class="preprocessor"></span>
<a name="l00006"></a>00006 <span class="preprocessor">#include <math.h></span>
<a name="l00007"></a>00007
<a name="l00009"></a>00009 <span class="comment">// Hide this from doxygen -- internal only code</span>
<a name="l00010"></a>00010 <span class="keyword">namespace </span>temperf
<a name="l00011"></a>00011 {
<a name="l00012"></a>00012 <span class="keywordtype">double</span> erf(<span class="keywordtype">double</span> x);
<a name="l00013"></a>00013 <span class="keywordtype">double</span> erfc(<span class="keywordtype">double</span> x);
<a name="l00014"></a>00014
<a name="l00015"></a>00015 <span class="keyword">static</span> <span class="keyword">const</span> <span class="keywordtype">double</span> rel_error= 1E-12; <span class="comment">//calculate 12 significant figures</span>
<a name="l00016"></a>00016 <span class="comment">//you can adjust rel_error to trade off between accuracy and speed</span>
<a name="l00017"></a>00017 <span class="comment">//but don't ask for > 15 figures (assuming usual 52 bit mantissa in a double)</span>
<a name="l00018"></a>00018
<a name="l00019"></a>00019 <span class="keyword">inline</span> <span class="keywordtype">double</span> erf(<span class="keywordtype">double</span> x)
<a name="l00020"></a>00020 {
<a name="l00021"></a>00021 <span class="comment">//erf(x) = 2/sqrt(pi)*integral(exp(-t^2),t,0,x)</span>
<a name="l00022"></a>00022 <span class="comment">// = 2/sqrt(pi)*[x - x^3/3 + x^5/5*2! - x^7/7*3! + ...]</span>
<a name="l00023"></a>00023 <span class="comment">// = 1-erfc(x)</span>
<a name="l00024"></a>00024 <span class="keyword">static</span> <span class="keyword">const</span> <span class="keywordtype">double</span> two_sqrtpi= 1.128379167095512574; <span class="comment">// 2/sqrt(pi)</span>
<a name="l00025"></a>00025 <span class="keywordflow">if</span> (abs(x) > 2.2)
<a name="l00026"></a>00026 <span class="keywordflow">return</span> 1.0 - erfc(x); <span class="comment">//use continued fraction when fabs(x) > 2.2</span>
<a name="l00027"></a>00027
<a name="l00028"></a>00028 <span class="keywordtype">double</span> sum= x, term= x, xsqr= x*x;
<a name="l00029"></a>00029 <span class="keywordtype">int</span> j= 1;
<a name="l00030"></a>00030 <span class="keywordflow">do</span>
<a name="l00031"></a>00031 {
<a name="l00032"></a>00032 term*= xsqr/j;
<a name="l00033"></a>00033 sum-= term/(2*j+1);
<a name="l00034"></a>00034 ++j;
<a name="l00035"></a>00035 term*= xsqr/j;
<a name="l00036"></a>00036 sum+= term/(2*j+1);
<a name="l00037"></a>00037 ++j;
<a name="l00038"></a>00038 } <span class="keywordflow">while</span> (fabs(term/sum) > rel_error);
<a name="l00039"></a>00039 <span class="keywordflow">return</span> two_sqrtpi*sum;
<a name="l00040"></a>00040 }
<a name="l00041"></a>00041
<a name="l00042"></a>00042 <span class="keyword">inline</span> <span class="keywordtype">double</span> erfc(<span class="keywordtype">double</span> x)
<a name="l00043"></a>00043 {
<a name="l00044"></a>00044 <span class="comment">//erfc(x) = 2/sqrt(pi)*integral(exp(-t^2),t,x,inf)</span>
<a name="l00045"></a>00045 <span class="comment">// = exp(-x^2)/sqrt(pi) * [1/x+ (1/2)/x+ (2/2)/x+ (3/2)/x+ (4/2)/x+ ...]</span>
<a name="l00046"></a>00046 <span class="comment">// = 1-erf(x)</span>
<a name="l00047"></a>00047 <span class="comment">//expression inside [] is a continued fraction so '+' means add to denominator only</span>
<a name="l00048"></a>00048
<a name="l00049"></a>00049 <span class="keyword">static</span> <span class="keyword">const</span> <span class="keywordtype">double</span> one_sqrtpi= 0.564189583547756287; <span class="comment">// 1/sqrt(pi)</span>
<a name="l00050"></a>00050 <span class="keywordflow">if</span> (abs(x) < 2.2)
<a name="l00051"></a>00051 <span class="keywordflow">return</span> 1.0 - erf(x); <span class="comment">//use series when fabs(x) < 2.2</span>
<a name="l00052"></a>00052
<a name="l00053"></a>00053 <span class="keywordflow">if</span> (x<0)<span class="comment">//continued fraction only valid for x>0</span>
<a name="l00054"></a>00054 <span class="keywordflow">return</span> 2.0 - erfc(-x);
<a name="l00055"></a>00055
<a name="l00056"></a>00056 <span class="keywordtype">double</span> a=1, b=x; <span class="comment">//last two convergent numerators</span>
<a name="l00057"></a>00057 <span class="keywordtype">double</span> c=x, d=x*x+0.5; <span class="comment">//last two convergent denominators</span>
<a name="l00058"></a>00058 <span class="keywordtype">double</span> q1, q2= b/d; <span class="comment">//last two convergents (a/c and b/d)</span>
<a name="l00059"></a>00059 <span class="keywordtype">double</span> n= 1.0, t;
<a name="l00060"></a>00060 <span class="keywordflow">do</span>
<a name="l00061"></a>00061 {
<a name="l00062"></a>00062 t= a*n+b*x;
<a name="l00063"></a>00063 a= b;
<a name="l00064"></a>00064 b= t;
<a name="l00065"></a>00065 t= c*n+d*x;
<a name="l00066"></a>00066 c= d;
<a name="l00067"></a>00067 d= t;
<a name="l00068"></a>00068 n+= 0.5;
<a name="l00069"></a>00069 q1= q2;
<a name="l00070"></a>00070 q2= b/d;
<a name="l00071"></a>00071 } <span class="keywordflow">while</span> (fabs(q1-q2)/q2 > rel_error);
<a name="l00072"></a>00072 <span class="keywordflow">return</span> one_sqrtpi*exp(-x*x)*q2;
<a name="l00073"></a>00073 }
<a name="l00075"></a>00075
<a name="l00076"></a>00076 }<span class="comment">//namespace</span>
<a name="l00077"></a>00077 <span class="preprocessor">#endif // OB_ERF_H</span>
<a name="l00078"></a>00078 <span class="preprocessor"></span>
</pre></div></div>
</div>
<!-- window showing the filter options -->
<div id="MSearchSelectWindow"
onmouseover="return searchBox.OnSearchSelectShow()"
onmouseout="return searchBox.OnSearchSelectHide()"
onkeydown="return searchBox.OnSearchSelectKey(event)">
<a class="SelectItem" href="javascript:void(0)" onclick="searchBox.OnSelectItem(0)"><span class="SelectionMark"> </span>All</a><a class="SelectItem" href="javascript:void(0)" onclick="searchBox.OnSelectItem(1)"><span class="SelectionMark"> </span>Classes</a><a class="SelectItem" href="javascript:void(0)" onclick="searchBox.OnSelectItem(2)"><span class="SelectionMark"> </span>Namespaces</a><a class="SelectItem" href="javascript:void(0)" onclick="searchBox.OnSelectItem(3)"><span class="SelectionMark"> </span>Files</a><a class="SelectItem" href="javascript:void(0)" onclick="searchBox.OnSelectItem(4)"><span class="SelectionMark"> </span>Functions</a><a class="SelectItem" href="javascript:void(0)" onclick="searchBox.OnSelectItem(5)"><span class="SelectionMark"> </span>Variables</a><a class="SelectItem" href="javascript:void(0)" onclick="searchBox.OnSelectItem(6)"><span class="SelectionMark"> </span>Typedefs</a><a class="SelectItem" href="javascript:void(0)" onclick="searchBox.OnSelectItem(7)"><span class="SelectionMark"> </span>Enumerations</a><a class="SelectItem" href="javascript:void(0)" onclick="searchBox.OnSelectItem(8)"><span class="SelectionMark"> </span>Enumerator</a><a class="SelectItem" href="javascript:void(0)" onclick="searchBox.OnSelectItem(9)"><span class="SelectionMark"> </span>Friends</a><a class="SelectItem" href="javascript:void(0)" onclick="searchBox.OnSelectItem(10)"><span class="SelectionMark"> </span>Defines</a></div>
<!-- iframe showing the search results (closed by default) -->
<div id="MSearchResultsWindow">
<iframe src="javascript:void(0)" frameborder="0"
name="MSearchResults" id="MSearchResults">
</iframe>
</div>
</div><!-- end content -->
<!--#include file="footer.html" -->
<div id="footer">
<hr size="1">
<img src="http://openbabel.org/babel256.png" width="136" height="127" alt="" style="float: left;" />
<p>This file is part of the documentation for <a href="http://openbabel.org/wiki/">Open Babel</a>, version 2.3.</p>
<div class="bottom">
Documentation copyright © 1998-2007, the <a href="http://openbabel.org/wiki/THANKS">Open Babel Developers</a>.<br>
Open Babel is hosted by: <a href="http://sourceforge.net">
<img src="http://sourceforge.net/sflogo.php?group_id=40728"
width="88" height="31" border="0" alt="SourceForge Logo"></a><br>
Generated on Thu Oct 13 2011 16:08:06 by <a href="http://www.doxygen.org/"><img src="doxygen.png" alt="doxygen" align="middle" border="0"></a> 1.7.5.1.
</div>
</body>
</html>
|