<!DOCTYPE HTML PUBLIC "-//W3C//DTD HTML 4.0 Transitional//EN"> <html><head><meta name="robots" content="noindex"> <meta http-equiv="Content-Type" content="text/html;charset=iso-8859-1"> <title>localdef.h Source File</title> <link href="doxygen.css" rel="stylesheet" type="text/css"> </head><body bgcolor="#ffffff"> <!-- Generated by Doxygen 1.2.5 on Mon Oct 14 14:16:37 2002 --> <center> <a class="qindex" href="index.html">Main Page</a> <a class="qindex" href="hierarchy.html">Class Hierarchy</a> <a class="qindex" href="annotated.html">Compound List</a> <a class="qindex" href="files.html">File List</a> <a class="qindex" href="functions.html">Compound Members</a> <a class="qindex" href="pages.html">Related Pages</a> </center> <hr><h1>localdef.h</h1><div class="fragment"><pre>00001 <font class="comment">//</font> 00002 <font class="comment">// localdef.h</font> 00003 <font class="comment">//</font> 00004 <font class="comment">// Copyright (C) 1996 Limit Point Systems, Inc.</font> 00005 <font class="comment">//</font> 00006 <font class="comment">// Author: Edward Seidl <seidl@janed.com></font> 00007 <font class="comment">// Maintainer: LPS</font> 00008 <font class="comment">//</font> 00009 <font class="comment">// This file is part of the SC Toolkit.</font> 00010 <font class="comment">//</font> 00011 <font class="comment">// The SC Toolkit is free software; you can redistribute it and/or modify</font> 00012 <font class="comment">// it under the terms of the GNU Library General Public License as published by</font> 00013 <font class="comment">// the Free Software Foundation; either version 2, or (at your option)</font> 00014 <font class="comment">// any later version.</font> 00015 <font class="comment">//</font> 00016 <font class="comment">// The SC Toolkit is distributed in the hope that it will be useful,</font> 00017 <font class="comment">// but WITHOUT ANY WARRANTY; without even the implied warranty of</font> 00018 <font class="comment">// MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the</font> 00019 <font class="comment">// GNU Library General Public License for more details.</font> 00020 <font class="comment">//</font> 00021 <font class="comment">// You should have received a copy of the GNU Library General Public License</font> 00022 <font class="comment">// along with the SC Toolkit; see the file COPYING.LIB. If not, write to</font> 00023 <font class="comment">// the Free Software Foundation, 675 Mass Ave, Cambridge, MA 02139, USA.</font> 00024 <font class="comment">//</font> 00025 <font class="comment">// The U.S. Government is granted a limited license as per AL 91-7.</font> 00026 <font class="comment">//</font> 00027 00028 <font class="comment">// some inline functions for dealing with 3 dimensional vectors</font> 00029 00030 <font class="preprocessor">#ifndef _localdef_h</font> 00031 <font class="preprocessor"></font><font class="preprocessor">#define _localdef_h</font> 00032 <font class="preprocessor"></font> 00033 <font class="preprocessor">#include <math.h></font> 00034 00035 <font class="keyword">namespace </font>sc { 00036 00037 <font class="keyword">static</font> <font class="keyword">const</font> <font class="keywordtype">double</font> pi=3.14159265358979323846; 00038 <font class="keyword">static</font> <font class="keyword">const</font> <font class="keywordtype">double</font> pih=1.57079632679489661923; 00039 <font class="keyword">static</font> <font class="keyword">const</font> <font class="keywordtype">double</font> tpi=2.0*pi; 00040 00041 <font class="keyword">static</font> <font class="keyword">const</font> <font class="keywordtype">double</font> bohr = 0.52917706; 00042 00043 <font class="comment">// /////////////////////////////////////////////////////////</font> 00044 00045 <font class="keyword">static</font> <font class="keyword">inline</font> <font class="keywordtype">void</font> 00046 delta(<font class="keywordtype">double</font> u[], <font class="keyword">const</font> <font class="keywordtype">double</font> a[], <font class="keyword">const</font> <font class="keywordtype">double</font> b[])<font class="keyword"></font> 00047 <font class="keyword"></font>{ 00048 u[0]=a[0]-b[0]; 00049 u[1]=a[1]-b[1]; 00050 u[2]=a[2]-b[2]; 00051 } 00052 00053 <font class="comment">// /////////////////////////////////////////////////////////</font> 00054 00055 <font class="comment">// returns the distance between two points</font> 00056 <font class="keyword">static</font> <font class="keyword">inline</font> <font class="keywordtype">double</font> 00057 dist(<font class="keyword">const</font> <font class="keywordtype">double</font> a[], <font class="keyword">const</font> <font class="keywordtype">double</font> b[])<font class="keyword"></font> 00058 <font class="keyword"></font>{ 00059 <font class="keywordtype">double</font> x,y,z; 00060 <font class="keywordflow">return</font> (sqrt((x=a[0]-b[0])*x + (y=a[1]-b[1])*y + (z=a[2]-b[2])*z)); 00061 } 00062 00063 <font class="comment">// /////////////////////////////////////////////////////////</font> 00064 00065 <font class="comment">// given sin(x) returns cos(x) </font> 00066 <font class="keyword">static</font> <font class="keyword">inline</font> <font class="keywordtype">double</font> 00067 s2(<font class="keywordtype">double</font> x)<font class="keyword"></font> 00068 <font class="keyword"></font>{ 00069 <font class="keywordtype">double</font> tmp = 1.0 - x*x; 00070 <font class="keywordflow">if</font> (tmp < 0.0) tmp = 0.0; 00071 <font class="keywordflow">return</font> sqrt(tmp); 00072 } 00073 00074 <font class="comment">// /////////////////////////////////////////////////////////</font> 00075 00076 <font class="comment">// returns the dot product for two vectors</font> 00077 <font class="keyword">static</font> <font class="keyword">inline</font> <font class="keywordtype">double</font> 00078 scalar(<font class="keyword">const</font> <font class="keywordtype">double</font> a[], <font class="keyword">const</font> <font class="keywordtype">double</font> b[])<font class="keyword"></font> 00079 <font class="keyword"></font>{ 00080 <font class="keywordtype">double</font> x = a[0]*b[0]; 00081 <font class="keywordtype">double</font> x1 = a[1]*b[1]; 00082 x += a[2]*b[2]; 00083 <font class="keywordflow">return</font> x+x1; 00084 } 00085 00086 <font class="comment">// /////////////////////////////////////////////////////////</font> 00087 00088 <font class="comment">// given vectors a and b, returns a unit vector directed along the difference</font> 00089 <font class="comment">// of the two vectors</font> 00090 <font class="keyword">static</font> <font class="keyword">inline</font> <font class="keywordtype">void</font> 00091 norm(<font class="keywordtype">double</font> u[], <font class="keyword">const</font> <font class="keywordtype">double</font> a[], <font class="keyword">const</font> <font class="keywordtype">double</font> b[])<font class="keyword"></font> 00092 <font class="keyword"></font>{ 00093 delta(u,a,b); 00094 <font class="keywordtype">double</font> x = 1.0/sqrt(scalar(u,u)); 00095 u[0] *= x; u[1] *= x; u[2] *= x; 00096 } 00097 00098 <font class="comment">// /////////////////////////////////////////////////////////</font> 00099 00100 <font class="comment">// given two vectors, returns the normalized cross product of those vectors</font> 00101 <font class="keyword">static</font> <font class="keyword">inline</font> <font class="keywordtype">void</font> 00102 normal(<font class="keyword">const</font> <font class="keywordtype">double</font> a[], <font class="keyword">const</font> <font class="keywordtype">double</font> b[], <font class="keywordtype">double</font> w[])<font class="keyword"></font> 00103 <font class="keyword"></font>{ 00104 w[0] = a[1]*b[2]-a[2]*b[1]; 00105 w[1] = a[2]*b[0]-a[0]*b[2]; 00106 w[2] = a[0]*b[1]-a[1]*b[0]; 00107 <font class="keywordtype">double</font> x = 1.0/sqrt(scalar(w,w)); 00108 w[0] *= x; w[1] *= x; w[2] *= x; 00109 } 00110 00111 } 00112 00113 <font class="preprocessor">#endif</font> 00114 <font class="preprocessor"></font> 00115 <font class="comment">// Local Variables:</font> 00116 <font class="comment">// mode: c++</font> 00117 <font class="comment">// c-file-style: "ETS"</font> 00118 <font class="comment">// End:</font> </div></pre><hr> <address> <small> Generated at Mon Oct 14 14:16:37 2002 for <a href="http://aros.ca.sandia.gov/~cljanss/mpqc">MPQC</a> 2.1.2 using the documentation package <a href="http://www.stack.nl/~dimitri/doxygen/index.html">Doxygen</a> 1.2.5. </small> </address> </body> </html>