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<div class="title">vector3.h</div> </div>
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<a href="vector3_8h.shtml">Go to the documentation of this file.</a><div class="fragment"><pre class="fragment"><a name="l00001"></a>00001 <span class="comment">/**********************************************************************</span>
<a name="l00002"></a>00002 <span class="comment">vector3.h - Handle 3D coordinates.</span>
<a name="l00003"></a>00003 <span class="comment"></span>
<a name="l00004"></a>00004 <span class="comment">Copyright (C) 1998-2001 by OpenEye Scientific Software, Inc.</span>
<a name="l00005"></a>00005 <span class="comment">Some portions Copyright (C) 2001-2006 by Geoffrey R. Hutchison</span>
<a name="l00006"></a>00006 <span class="comment">Some portions Copyright (C) 2006 by Benoit Jacob</span>
<a name="l00007"></a>00007 <span class="comment"></span>
<a name="l00008"></a>00008 <span class="comment">This file is part of the Open Babel project.</span>
<a name="l00009"></a>00009 <span class="comment">For more information, see <http://openbabel.org/></span>
<a name="l00010"></a>00010 <span class="comment"></span>
<a name="l00011"></a>00011 <span class="comment">This program is free software; you can redistribute it and/or modify</span>
<a name="l00012"></a>00012 <span class="comment">it under the terms of the GNU General Public License as published by</span>
<a name="l00013"></a>00013 <span class="comment">the Free Software Foundation version 2 of the License.</span>
<a name="l00014"></a>00014 <span class="comment"></span>
<a name="l00015"></a>00015 <span class="comment">This program is distributed in the hope that it will be useful,</span>
<a name="l00016"></a>00016 <span class="comment">but WITHOUT ANY WARRANTY; without even the implied warranty of</span>
<a name="l00017"></a>00017 <span class="comment">MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the</span>
<a name="l00018"></a>00018 <span class="comment">GNU General Public License for more details.</span>
<a name="l00019"></a>00019 <span class="comment">***********************************************************************/</span>
<a name="l00020"></a>00020
<a name="l00021"></a>00021 <span class="preprocessor">#ifndef OB_VECTOR_H</span>
<a name="l00022"></a>00022 <span class="preprocessor"></span><span class="preprocessor">#define OB_VECTOR_H</span>
<a name="l00023"></a>00023 <span class="preprocessor"></span>
<a name="l00024"></a>00024 <span class="preprocessor">#include <ostream></span>
<a name="l00025"></a>00025 <span class="preprocessor">#include <math.h></span>
<a name="l00026"></a>00026 <span class="preprocessor">#include <iostream></span>
<a name="l00027"></a>00027
<a name="l00028"></a>00028 <span class="preprocessor">#include <<a class="code" href="rand_8h.shtml" title="Pseudo random number generator.">openbabel/rand.h</a>></span>
<a name="l00029"></a>00029
<a name="l00030"></a>00030 <span class="preprocessor">#ifndef RAD_TO_DEG</span>
<a name="l00031"></a><a class="code" href="vector3_8h.shtml#a89e47af0449640d4f15191aba5ca24c6">00031</a> <span class="preprocessor"></span><span class="preprocessor">#define RAD_TO_DEG (180.0/M_PI)</span>
<a name="l00032"></a>00032 <span class="preprocessor"></span><span class="preprocessor">#endif</span>
<a name="l00033"></a>00033 <span class="preprocessor"></span>
<a name="l00034"></a>00034 <span class="preprocessor">#ifndef DEG_TO_RAD</span>
<a name="l00035"></a><a class="code" href="vector3_8h.shtml#a212460e743fecb084d717bb2180c5a56">00035</a> <span class="preprocessor"></span><span class="preprocessor">#define DEG_TO_RAD (M_PI/180.0)</span>
<a name="l00036"></a>00036 <span class="preprocessor"></span><span class="preprocessor">#endif</span>
<a name="l00037"></a>00037 <span class="preprocessor"></span>
<a name="l00038"></a>00038 <span class="keyword">namespace </span>OpenBabel
<a name="l00039"></a>00039 {
<a name="l00040"></a>00040
<a name="l00041"></a>00041 <span class="keyword">class </span>matrix3x3; <span class="comment">// declared in math/matrix3x3.h</span>
<a name="l00042"></a>00042 <span class="keyword">class </span>OBRandom; <span class="comment">// declared in rand.h</span>
<a name="l00043"></a>00043
<a name="l00044"></a>00044 <span class="comment">// class introduction in vector3.cpp</span>
<a name="l00045"></a><a class="code" href="classOpenBabel_1_1vector3.shtml">00045</a> <span class="keyword">class </span>OBAPI <a class="code" href="classOpenBabel_1_1vector3.shtml" title="Represents a vector in 3-dimensional real space.">vector3</a>
<a name="l00046"></a>00046 {
<a name="l00047"></a>00047 <span class="keyword">private</span> :
<a name="l00048"></a>00048 <span class="keywordtype">double</span> _vx, _vy, _vz ;
<a name="l00049"></a>00049
<a name="l00050"></a>00050 <span class="keyword">public</span> :
<a name="l00052"></a><a class="code" href="classOpenBabel_1_1vector3.shtml#a28d983d20c9b3b395da7854fafae20f2">00052</a> <a class="code" href="classOpenBabel_1_1vector3.shtml" title="Represents a vector in 3-dimensional real space.">vector3</a> (<span class="keyword">const</span> <span class="keywordtype">double</span> inX=0.0, <span class="keyword">const</span> <span class="keywordtype">double</span> inY=0.0, <span class="keyword">const</span> <span class="keywordtype">double</span> inZ=0.0):
<a name="l00053"></a>00053 _vx(inX), _vy(inY), _vz(inZ)
<a name="l00054"></a>00054 {}
<a name="l00055"></a><a class="code" href="classOpenBabel_1_1vector3.shtml#a8b2f7f06d9fa0554248321887d4fcfc4">00055</a> <a class="code" href="classOpenBabel_1_1vector3.shtml" title="Represents a vector in 3-dimensional real space.">vector3</a> (<span class="keywordtype">double</span> inV[3]):
<a name="l00056"></a>00056 _vx(inV[0]), _vy(inV[1]), _vz(inV[2])
<a name="l00057"></a>00057 {}
<a name="l00059"></a><a class="code" href="classOpenBabel_1_1vector3.shtml#abe84fe9749e73b1027baddb505fa189a">00059</a> <a class="code" href="classOpenBabel_1_1vector3.shtml" title="Represents a vector in 3-dimensional real space.">vector3</a> (<span class="keyword">const</span> <a class="code" href="classOpenBabel_1_1vector3.shtml" title="Represents a vector in 3-dimensional real space.">vector3</a>& v):
<a name="l00060"></a>00060 _vx(v._vx), _vy(v._vy), _vz(v._vz)
<a name="l00061"></a>00061 { }
<a name="l00062"></a>00062
<a name="l00064"></a><a class="code" href="classOpenBabel_1_1vector3.shtml#a059160a3da371ed0cfd1563a1e8cd2fb">00064</a> <a class="code" href="classOpenBabel_1_1vector3.shtml#a059160a3da371ed0cfd1563a1e8cd2fb" title="Destructor.">~vector3</a>() { }
<a name="l00065"></a>00065
<a name="l00067"></a><a class="code" href="classOpenBabel_1_1vector3.shtml#a685349dbc9e2d99a19616763811cbfba">00067</a> <span class="keywordtype">void</span> Set(<span class="keyword">const</span> <span class="keywordtype">double</span> inX, <span class="keyword">const</span> <span class="keywordtype">double</span> inY, <span class="keyword">const</span> <span class="keywordtype">double</span> inZ)
<a name="l00068"></a>00068 {
<a name="l00069"></a>00069 _vx = inX;
<a name="l00070"></a>00070 _vy = inY;
<a name="l00071"></a>00071 _vz = inZ;
<a name="l00072"></a>00072 }
<a name="l00074"></a><a class="code" href="classOpenBabel_1_1vector3.shtml#abfcb3c965a12bd0385f1fe1db3f7d3ac">00074</a> <span class="keywordtype">void</span> Set(<span class="keyword">const</span> <span class="keywordtype">double</span> *c)
<a name="l00075"></a>00075 {
<a name="l00076"></a>00076 _vx = c[0];
<a name="l00077"></a>00077 _vy = c[1];
<a name="l00078"></a>00078 _vz = c[2];
<a name="l00079"></a>00079 }
<a name="l00081"></a><a class="code" href="classOpenBabel_1_1vector3.shtml#ab7cbeb9d9ec3d0d2714733d8bb4596eb">00081</a> <span class="keywordtype">void</span> SetX(<span class="keyword">const</span> <span class="keywordtype">double</span> inX)
<a name="l00082"></a>00082 {
<a name="l00083"></a>00083 _vx = inX;
<a name="l00084"></a>00084 }
<a name="l00086"></a><a class="code" href="classOpenBabel_1_1vector3.shtml#a385f2320a91b6c182ecb45d16ffc6332">00086</a> <span class="keywordtype">void</span> SetY(<span class="keyword">const</span> <span class="keywordtype">double</span> inY)
<a name="l00087"></a>00087 {
<a name="l00088"></a>00088 _vy = inY;
<a name="l00089"></a>00089 }
<a name="l00091"></a><a class="code" href="classOpenBabel_1_1vector3.shtml#ad1ac74f918d5ac48cb47426ca9ba2c09">00091</a> <span class="keywordtype">void</span> SetZ(<span class="keyword">const</span> <span class="keywordtype">double</span> inZ)
<a name="l00092"></a>00092 {
<a name="l00093"></a>00093 _vz = inZ;
<a name="l00094"></a>00094 }
<a name="l00096"></a><a class="code" href="classOpenBabel_1_1vector3.shtml#a140fe887c529e7b90eae3de197e8ceb6">00096</a> <span class="keywordtype">double</span> GetX()<span class="keyword"> const</span>
<a name="l00097"></a>00097 <span class="keyword"> </span>{
<a name="l00098"></a>00098 <span class="keywordflow">return</span> _vx;
<a name="l00099"></a>00099 }
<a name="l00101"></a><a class="code" href="classOpenBabel_1_1vector3.shtml#a7e0e3acd8a6e4016522b9cdbc8f5aeb5">00101</a> <span class="keywordtype">double</span> GetY()<span class="keyword"> const</span>
<a name="l00102"></a>00102 <span class="keyword"> </span>{
<a name="l00103"></a>00103 <span class="keywordflow">return</span> _vy;
<a name="l00104"></a>00104 }
<a name="l00106"></a><a class="code" href="classOpenBabel_1_1vector3.shtml#a885f0eb530803b77acf8ac2055c59ee8">00106</a> <span class="keywordtype">double</span> GetZ()<span class="keyword"> const</span>
<a name="l00107"></a>00107 <span class="keyword"> </span>{
<a name="l00108"></a>00108 <span class="keywordflow">return</span> _vz;
<a name="l00109"></a>00109 }
<a name="l00112"></a><a class="code" href="classOpenBabel_1_1vector3.shtml#a9345053a16ce83e130dc098fddf9af7a">00112</a> <span class="keywordtype">void</span> Get(<span class="keywordtype">double</span> *c)
<a name="l00113"></a>00113 {
<a name="l00114"></a>00114 c[0]=_vx;
<a name="l00115"></a>00115 c[1]=_vy;
<a name="l00116"></a>00116 c[2]=_vz;
<a name="l00117"></a>00117 }
<a name="l00119"></a>00119 <span class="keywordtype">double</span> operator[] ( <span class="keywordtype">unsigned</span> <span class="keywordtype">int</span> i) <span class="keyword">const</span>;
<a name="l00120"></a>00120
<a name="l00122"></a><a class="code" href="classOpenBabel_1_1vector3.shtml#ad2eee719d3706b71968f894c1179f4bb">00122</a> <a class="code" href="classOpenBabel_1_1vector3.shtml" title="Represents a vector in 3-dimensional real space.">vector3</a>& operator= ( <span class="keyword">const</span> <a class="code" href="classOpenBabel_1_1vector3.shtml" title="Represents a vector in 3-dimensional real space.">vector3</a>& v)
<a name="l00123"></a>00123 {
<a name="l00124"></a>00124 _vx = v._vx;
<a name="l00125"></a>00125 _vy = v._vy;
<a name="l00126"></a>00126 _vz = v._vz;
<a name="l00127"></a>00127 <span class="keywordflow">return</span> *<span class="keyword">this</span>;
<a name="l00128"></a>00128 }
<a name="l00129"></a>00129
<a name="l00131"></a><a class="code" href="classOpenBabel_1_1vector3.shtml#a72b1c0a136ecdb28fdfa1ec382ccdc41">00131</a> <span class="keyword">const</span> <span class="keywordtype">double</span> *AsArray()<span class="keyword"> const</span>
<a name="l00132"></a>00132 <span class="keyword"> </span>{
<a name="l00133"></a>00133 <span class="keywordflow">return</span> &_vx;
<a name="l00134"></a>00134 }
<a name="l00135"></a>00135
<a name="l00138"></a><a class="code" href="classOpenBabel_1_1vector3.shtml#ae0541be714a6305dd3295655eea746d9">00138</a> <a class="code" href="classOpenBabel_1_1vector3.shtml" title="Represents a vector in 3-dimensional real space.">vector3</a>& operator+= ( <span class="keyword">const</span> <a class="code" href="classOpenBabel_1_1vector3.shtml" title="Represents a vector in 3-dimensional real space.">vector3</a>& v)
<a name="l00139"></a>00139 {
<a name="l00140"></a>00140 _vx += v._vx;
<a name="l00141"></a>00141 _vy += v._vy;
<a name="l00142"></a>00142 _vz += v._vz;
<a name="l00143"></a>00143 <span class="keywordflow">return</span> *<span class="keyword">this</span>;
<a name="l00144"></a>00144 };
<a name="l00147"></a><a class="code" href="classOpenBabel_1_1vector3.shtml#ac4b4980ccea5aa5184928ce40cf1acee">00147</a> <a class="code" href="classOpenBabel_1_1vector3.shtml" title="Represents a vector in 3-dimensional real space.">vector3</a>& operator-= ( <span class="keyword">const</span> <a class="code" href="classOpenBabel_1_1vector3.shtml" title="Represents a vector in 3-dimensional real space.">vector3</a>& v)
<a name="l00148"></a>00148 {
<a name="l00149"></a>00149 _vx -= v._vx;
<a name="l00150"></a>00150 _vy -= v._vy;
<a name="l00151"></a>00151 _vz -= v._vz;
<a name="l00152"></a>00152 <span class="keywordflow">return</span> *<span class="keyword">this</span>;
<a name="l00153"></a>00153 };
<a name="l00156"></a><a class="code" href="classOpenBabel_1_1vector3.shtml#a506884b50b92a33e92029b43f9b75bc9">00156</a> <a class="code" href="classOpenBabel_1_1vector3.shtml" title="Represents a vector in 3-dimensional real space.">vector3</a>& operator+= ( <span class="keyword">const</span> <span class="keywordtype">double</span>* f)
<a name="l00157"></a>00157 {
<a name="l00158"></a>00158 _vx += f[0];
<a name="l00159"></a>00159 _vy += f[1];
<a name="l00160"></a>00160 _vz += f[2];
<a name="l00161"></a>00161 <span class="keywordflow">return</span> *<span class="keyword">this</span>;
<a name="l00162"></a>00162 };
<a name="l00165"></a><a class="code" href="classOpenBabel_1_1vector3.shtml#a322635480250ba0c08aa47a125eda3dd">00165</a> <a class="code" href="classOpenBabel_1_1vector3.shtml" title="Represents a vector in 3-dimensional real space.">vector3</a>& operator-= ( <span class="keyword">const</span> <span class="keywordtype">double</span>* f)
<a name="l00166"></a>00166 {
<a name="l00167"></a>00167 _vx -= f[0];
<a name="l00168"></a>00168 _vy -= f[1];
<a name="l00169"></a>00169 _vz -= f[2];
<a name="l00170"></a>00170 <span class="keywordflow">return</span> *<span class="keyword">this</span>;
<a name="l00171"></a>00171 };
<a name="l00174"></a><a class="code" href="classOpenBabel_1_1vector3.shtml#a849fa346bb458a37710cdb8a4f5c085f">00174</a> <a class="code" href="classOpenBabel_1_1vector3.shtml" title="Represents a vector in 3-dimensional real space.">vector3</a>& operator*= ( <span class="keyword">const</span> <span class="keywordtype">double</span>& c)
<a name="l00175"></a>00175 {
<a name="l00176"></a>00176 _vx *= c;
<a name="l00177"></a>00177 _vy *= c;
<a name="l00178"></a>00178 _vz *= c;
<a name="l00179"></a>00179 <span class="keywordflow">return</span> *<span class="keyword">this</span>;
<a name="l00180"></a>00180 };
<a name="l00181"></a>00181
<a name="l00184"></a><a class="code" href="classOpenBabel_1_1vector3.shtml#ab5a7b18eeff279e5d850a9075d09f8a5">00184</a> <a class="code" href="classOpenBabel_1_1vector3.shtml" title="Represents a vector in 3-dimensional real space.">vector3</a>& operator/= ( <span class="keyword">const</span> <span class="keywordtype">double</span>& c)
<a name="l00185"></a>00185 {
<a name="l00186"></a>00186 <span class="keywordtype">double</span> inv = 1.0 / c;
<a name="l00187"></a>00187 <span class="keywordflow">return</span>( (*<span class="keyword">this</span>) *= inv );
<a name="l00188"></a>00188 };
<a name="l00192"></a>00192 <a class="code" href="classOpenBabel_1_1vector3.shtml" title="Represents a vector in 3-dimensional real space.">vector3</a>& operator*= ( <span class="keyword">const</span> <a class="code" href="classOpenBabel_1_1matrix3x3.shtml" title="Represents a real 3x3 matrix.">matrix3x3</a> &);
<a name="l00193"></a>00193
<a name="l00195"></a>00195 <span class="keywordtype">void</span> randomUnitVector(<a class="code" href="classOpenBabel_1_1OBRandom.shtml" title="Random number generator.">OBRandom</a> *oeRand= NULL);
<a name="l00196"></a>00196
<a name="l00197"></a>00197 <span class="comment">// Member Functions</span>
<a name="l00198"></a>00198
<a name="l00201"></a>00201 <a class="code" href="classOpenBabel_1_1vector3.shtml" title="Represents a vector in 3-dimensional real space.">vector3</a>& normalize () ;
<a name="l00202"></a>00202
<a name="l00204"></a>00204 <span class="keywordtype">bool</span> CanBeNormalized () <span class="keyword">const</span>;
<a name="l00205"></a>00205
<a name="l00207"></a><a class="code" href="classOpenBabel_1_1vector3.shtml#a560382b2b84516f70ca2d406aaee8baa">00207</a> <span class="keyword">inline</span> <span class="keywordtype">double</span> length_2 ()<span class="keyword"> const</span>
<a name="l00208"></a>00208 <span class="keyword"> </span>{
<a name="l00209"></a>00209 <span class="keywordflow">return</span> _vx*_vx + _vy*_vy + _vz*_vz;
<a name="l00210"></a>00210 };
<a name="l00212"></a><a class="code" href="classOpenBabel_1_1vector3.shtml#ad207cb443e371f73f07e874c504f60c1">00212</a> <span class="keywordtype">double</span> length ()<span class="keyword"> const</span>
<a name="l00213"></a>00213 <span class="keyword"> </span>{
<a name="l00214"></a>00214 <span class="keywordflow">return</span> sqrt( length_2() );
<a name="l00215"></a>00215 };
<a name="l00217"></a><a class="code" href="classOpenBabel_1_1vector3.shtml#abef0821fe31ac502f2d11718aef50ae3">00217</a> <span class="keyword">const</span> <span class="keywordtype">double</span> & x ()<span class="keyword"> const</span>
<a name="l00218"></a>00218 <span class="keyword"> </span>{
<a name="l00219"></a>00219 <span class="keywordflow">return</span> _vx ;
<a name="l00220"></a>00220 } ;
<a name="l00222"></a><a class="code" href="classOpenBabel_1_1vector3.shtml#a60e843e6f8ec7cf8709da2954bd2c202">00222</a> <span class="keyword">const</span> <span class="keywordtype">double</span> & y ()<span class="keyword"> const</span>
<a name="l00223"></a>00223 <span class="keyword"> </span>{
<a name="l00224"></a>00224 <span class="keywordflow">return</span> _vy ;
<a name="l00225"></a>00225 } ;
<a name="l00227"></a><a class="code" href="classOpenBabel_1_1vector3.shtml#ac6512d9d5bc60ad02143f34ba62e010a">00227</a> <span class="keyword">const</span> <span class="keywordtype">double</span> & z ()<span class="keyword"> const</span>
<a name="l00228"></a>00228 <span class="keyword"> </span>{
<a name="l00229"></a>00229 <span class="keywordflow">return</span> _vz ;
<a name="l00230"></a>00230 } ;
<a name="l00232"></a><a class="code" href="classOpenBabel_1_1vector3.shtml#a3b195b867437acf8de45f48c83e81932">00232</a> <span class="keywordtype">double</span> & x ()
<a name="l00233"></a>00233 {
<a name="l00234"></a>00234 <span class="keywordflow">return</span> _vx ;
<a name="l00235"></a>00235 } ;
<a name="l00237"></a><a class="code" href="classOpenBabel_1_1vector3.shtml#ad927d9808ded1fc49c05ae9e1a3ed2a6">00237</a> <span class="keywordtype">double</span> & y ()
<a name="l00238"></a>00238 {
<a name="l00239"></a>00239 <span class="keywordflow">return</span> _vy ;
<a name="l00240"></a>00240 } ;
<a name="l00242"></a><a class="code" href="classOpenBabel_1_1vector3.shtml#a2134ad02d68f29e9c7cd87e4cd4c75b8">00242</a> <span class="keywordtype">double</span> & z ()
<a name="l00243"></a>00243 {
<a name="l00244"></a>00244 <span class="keywordflow">return</span> _vz ;
<a name="l00245"></a>00245 } ;
<a name="l00246"></a>00246
<a name="l00248"></a>00248 <span class="comment">// @{</span>
<a name="l00253"></a>00253 <span class="comment"></span> <span class="keywordtype">int</span> <a class="code" href="namespaceOpenBabel.shtml#ac001b331f648fbbd8590576f59d4d2ab">operator== </a>( <span class="keyword">const</span> <a class="code" href="classOpenBabel_1_1vector3.shtml" title="Represents a vector in 3-dimensional real space.">vector3</a>& ) <span class="keyword">const</span>;
<a name="l00257"></a><a class="code" href="classOpenBabel_1_1vector3.shtml#a54bc009d3ca567251114c2a86c7753ff">00257</a> <span class="keywordtype">int</span> operator!= ( <span class="keyword">const</span> <a class="code" href="classOpenBabel_1_1vector3.shtml" title="Represents a vector in 3-dimensional real space.">vector3</a>& other )<span class="keyword"> const</span>
<a name="l00258"></a>00258 <span class="keyword"> </span>{
<a name="l00259"></a>00259 <span class="keywordflow">return</span> ! ( (*this) == other );
<a name="l00260"></a>00260 }
<a name="l00270"></a>00270 <span class="keywordtype">bool</span> <a class="code" href="namespaceOpenBabel.shtml#af464b3279bc3db8c58ca552ddb0e8e79">IsApprox</a>( <span class="keyword">const</span> <a class="code" href="classOpenBabel_1_1vector3.shtml" title="Represents a vector in 3-dimensional real space.">vector3</a> & other, <span class="keyword">const</span> <span class="keywordtype">double</span> & precision ) <span class="keyword">const</span>;
<a name="l00272"></a>00272
<a name="l00274"></a>00274
<a name="l00276"></a><a class="code" href="classOpenBabel_1_1vector3.shtml#af0bb15d3c00f3ab71314513fa41fa548">00276</a> <span class="keywordtype">double</span> distSq(<span class="keyword">const</span> <a class="code" href="classOpenBabel_1_1vector3.shtml" title="Represents a vector in 3-dimensional real space.">vector3</a> &vv)<span class="keyword"> const</span>
<a name="l00277"></a>00277 <span class="keyword"> </span>{
<a name="l00278"></a>00278 <span class="keywordtype">double</span> dx = x() - vv.<a class="code" href="classOpenBabel_1_1vector3.shtml#abef0821fe31ac502f2d11718aef50ae3" title="Access function to get the x-coordinate of the vector.">x</a>();
<a name="l00279"></a>00279 <span class="keywordtype">double</span> dy = y() - vv.<a class="code" href="classOpenBabel_1_1vector3.shtml#a60e843e6f8ec7cf8709da2954bd2c202" title="Access function to get the y-coordinate of the vector.">y</a>();
<a name="l00280"></a>00280 <span class="keywordtype">double</span> dz = z() - vv.<a class="code" href="classOpenBabel_1_1vector3.shtml#ac6512d9d5bc60ad02143f34ba62e010a" title="Access function to get the z-coordinate of the vector.">z</a>();
<a name="l00281"></a>00281 <span class="keywordflow">return</span>( dx*dx + dy*dy + dz*dz );
<a name="l00282"></a>00282 }
<a name="l00283"></a>00283
<a name="l00286"></a>00286 <span class="keywordtype">bool</span> createOrthoVector(<a class="code" href="classOpenBabel_1_1vector3.shtml" title="Represents a vector in 3-dimensional real space.">vector3</a> &v) <span class="keyword">const</span>;
<a name="l00287"></a>00287
<a name="l00288"></a>00288 };
<a name="l00289"></a>00289
<a name="l00291"></a>00291 OBAPI std::ostream& <a class="code" href="namespaceOpenBabel.shtml#a70c653ee69fdbd27f77d430e4aed3cad" title="Prints a representation of the vector as a row vector of the form "<0.1,1,2>".">operator<< </a>( std::ostream&, <span class="keyword">const</span> vector3& );
<a name="l00292"></a>00292
<a name="l00293"></a>00293 <span class="comment">// Sum, Difference, Scalar Product</span>
<a name="l00295"></a><a class="code" href="namespaceOpenBabel.shtml#adc7b25b0ba45ce8f90a2519c03322e4a">00295</a> <span class="comment"></span> <span class="keyword">inline</span> OBAPI <a class="code" href="classOpenBabel_1_1vector3.shtml" title="Represents a vector in 3-dimensional real space.">vector3</a> <a class="code" href="namespaceOpenBabel.shtml#adc7b25b0ba45ce8f90a2519c03322e4a" title="Vector addition.">operator+ </a>( <span class="keyword">const</span> <a class="code" href="classOpenBabel_1_1vector3.shtml" title="Represents a vector in 3-dimensional real space.">vector3</a>& v1, <span class="keyword">const</span> <a class="code" href="classOpenBabel_1_1vector3.shtml" title="Represents a vector in 3-dimensional real space.">vector3</a>& v2)
<a name="l00296"></a>00296 {
<a name="l00297"></a>00297 <span class="keywordflow">return</span> <a class="code" href="classOpenBabel_1_1vector3.shtml" title="Represents a vector in 3-dimensional real space.">vector3</a>(v1.<a class="code" href="classOpenBabel_1_1vector3.shtml#abef0821fe31ac502f2d11718aef50ae3" title="Access function to get the x-coordinate of the vector.">x</a>()+v2.<a class="code" href="classOpenBabel_1_1vector3.shtml#abef0821fe31ac502f2d11718aef50ae3" title="Access function to get the x-coordinate of the vector.">x</a>(), v1.<a class="code" href="classOpenBabel_1_1vector3.shtml#a60e843e6f8ec7cf8709da2954bd2c202" title="Access function to get the y-coordinate of the vector.">y</a>()+v2.<a class="code" href="classOpenBabel_1_1vector3.shtml#a60e843e6f8ec7cf8709da2954bd2c202" title="Access function to get the y-coordinate of the vector.">y</a>(), v1.<a class="code" href="classOpenBabel_1_1vector3.shtml#ac6512d9d5bc60ad02143f34ba62e010a" title="Access function to get the z-coordinate of the vector.">z</a>()+v2.<a class="code" href="classOpenBabel_1_1vector3.shtml#ac6512d9d5bc60ad02143f34ba62e010a" title="Access function to get the z-coordinate of the vector.">z</a>());
<a name="l00298"></a>00298 }
<a name="l00300"></a><a class="code" href="namespaceOpenBabel.shtml#aa2e0e5d4e59766809b5b61ab9b513a2e">00300</a> <span class="keyword">inline</span> OBAPI <a class="code" href="classOpenBabel_1_1vector3.shtml" title="Represents a vector in 3-dimensional real space.">vector3</a> <a class="code" href="namespaceOpenBabel.shtml#aa2e0e5d4e59766809b5b61ab9b513a2e" title="Vector subtraction.">operator- </a>( <span class="keyword">const</span> <a class="code" href="classOpenBabel_1_1vector3.shtml" title="Represents a vector in 3-dimensional real space.">vector3</a>& v1, <span class="keyword">const</span> <a class="code" href="classOpenBabel_1_1vector3.shtml" title="Represents a vector in 3-dimensional real space.">vector3</a>& v2)
<a name="l00301"></a>00301 {
<a name="l00302"></a>00302 <span class="keywordflow">return</span> <a class="code" href="classOpenBabel_1_1vector3.shtml" title="Represents a vector in 3-dimensional real space.">vector3</a>(v1.<a class="code" href="classOpenBabel_1_1vector3.shtml#abef0821fe31ac502f2d11718aef50ae3" title="Access function to get the x-coordinate of the vector.">x</a>()-v2.<a class="code" href="classOpenBabel_1_1vector3.shtml#abef0821fe31ac502f2d11718aef50ae3" title="Access function to get the x-coordinate of the vector.">x</a>(), v1.<a class="code" href="classOpenBabel_1_1vector3.shtml#a60e843e6f8ec7cf8709da2954bd2c202" title="Access function to get the y-coordinate of the vector.">y</a>()-v2.<a class="code" href="classOpenBabel_1_1vector3.shtml#a60e843e6f8ec7cf8709da2954bd2c202" title="Access function to get the y-coordinate of the vector.">y</a>(), v1.<a class="code" href="classOpenBabel_1_1vector3.shtml#ac6512d9d5bc60ad02143f34ba62e010a" title="Access function to get the z-coordinate of the vector.">z</a>()-v2.<a class="code" href="classOpenBabel_1_1vector3.shtml#ac6512d9d5bc60ad02143f34ba62e010a" title="Access function to get the z-coordinate of the vector.">z</a>());
<a name="l00303"></a>00303 }
<a name="l00305"></a><a class="code" href="namespaceOpenBabel.shtml#a8bcf1e708be0fbc503f83952c3a99cd4">00305</a> <span class="keyword">inline</span> OBAPI <a class="code" href="classOpenBabel_1_1vector3.shtml" title="Represents a vector in 3-dimensional real space.">vector3</a> <a class="code" href="namespaceOpenBabel.shtml#aa2e0e5d4e59766809b5b61ab9b513a2e" title="Vector subtraction.">operator- </a>( <span class="keyword">const</span> <a class="code" href="classOpenBabel_1_1vector3.shtml" title="Represents a vector in 3-dimensional real space.">vector3</a>& v)
<a name="l00306"></a>00306 {
<a name="l00307"></a>00307 <span class="keywordflow">return</span> <a class="code" href="classOpenBabel_1_1vector3.shtml" title="Represents a vector in 3-dimensional real space.">vector3</a>(-v.<a class="code" href="classOpenBabel_1_1vector3.shtml#abef0821fe31ac502f2d11718aef50ae3" title="Access function to get the x-coordinate of the vector.">x</a>(), -v.<a class="code" href="classOpenBabel_1_1vector3.shtml#a60e843e6f8ec7cf8709da2954bd2c202" title="Access function to get the y-coordinate of the vector.">y</a>(), -v.<a class="code" href="classOpenBabel_1_1vector3.shtml#ac6512d9d5bc60ad02143f34ba62e010a" title="Access function to get the z-coordinate of the vector.">z</a>());
<a name="l00308"></a>00308 }
<a name="l00310"></a><a class="code" href="namespaceOpenBabel.shtml#a56b20579149ab8b5807475d4302c33a2">00310</a> <span class="keyword">inline</span> OBAPI <a class="code" href="classOpenBabel_1_1vector3.shtml" title="Represents a vector in 3-dimensional real space.">vector3</a> <a class="code" href="namespaceOpenBabel.shtml#a56b20579149ab8b5807475d4302c33a2" title="Multiplication with a scalar.">operator* </a>( <span class="keyword">const</span> <span class="keywordtype">double</span>& c, <span class="keyword">const</span> <a class="code" href="classOpenBabel_1_1vector3.shtml" title="Represents a vector in 3-dimensional real space.">vector3</a>& v)
<a name="l00311"></a>00311 {
<a name="l00312"></a>00312 <span class="keywordflow">return</span> <a class="code" href="classOpenBabel_1_1vector3.shtml" title="Represents a vector in 3-dimensional real space.">vector3</a>( c*v.<a class="code" href="classOpenBabel_1_1vector3.shtml#abef0821fe31ac502f2d11718aef50ae3" title="Access function to get the x-coordinate of the vector.">x</a>(), c*v.<a class="code" href="classOpenBabel_1_1vector3.shtml#a60e843e6f8ec7cf8709da2954bd2c202" title="Access function to get the y-coordinate of the vector.">y</a>(), c*v.<a class="code" href="classOpenBabel_1_1vector3.shtml#ac6512d9d5bc60ad02143f34ba62e010a" title="Access function to get the z-coordinate of the vector.">z</a>());
<a name="l00313"></a>00313 }
<a name="l00315"></a><a class="code" href="namespaceOpenBabel.shtml#ac5dcc9191fa15d332a546a975cb72952">00315</a> <span class="keyword">inline</span> OBAPI <a class="code" href="classOpenBabel_1_1vector3.shtml" title="Represents a vector in 3-dimensional real space.">vector3</a> <a class="code" href="namespaceOpenBabel.shtml#a56b20579149ab8b5807475d4302c33a2" title="Multiplication with a scalar.">operator* </a>( <span class="keyword">const</span> <a class="code" href="classOpenBabel_1_1vector3.shtml" title="Represents a vector in 3-dimensional real space.">vector3</a>& v, <span class="keyword">const</span> <span class="keywordtype">double</span>& c)
<a name="l00316"></a>00316 {
<a name="l00317"></a>00317 <span class="keywordflow">return</span> <a class="code" href="classOpenBabel_1_1vector3.shtml" title="Represents a vector in 3-dimensional real space.">vector3</a>( c*v.<a class="code" href="classOpenBabel_1_1vector3.shtml#abef0821fe31ac502f2d11718aef50ae3" title="Access function to get the x-coordinate of the vector.">x</a>(), c*v.<a class="code" href="classOpenBabel_1_1vector3.shtml#a60e843e6f8ec7cf8709da2954bd2c202" title="Access function to get the y-coordinate of the vector.">y</a>(), c*v.<a class="code" href="classOpenBabel_1_1vector3.shtml#ac6512d9d5bc60ad02143f34ba62e010a" title="Access function to get the z-coordinate of the vector.">z</a>());
<a name="l00318"></a>00318 }
<a name="l00320"></a><a class="code" href="namespaceOpenBabel.shtml#af855844c28abaaafbf21c5835a8e81d4">00320</a> <span class="keyword">inline</span> OBAPI <a class="code" href="classOpenBabel_1_1vector3.shtml" title="Represents a vector in 3-dimensional real space.">vector3</a> <a class="code" href="namespaceOpenBabel.shtml#af855844c28abaaafbf21c5835a8e81d4" title="Division by a scalar.">operator/ </a>( <span class="keyword">const</span> <a class="code" href="classOpenBabel_1_1vector3.shtml" title="Represents a vector in 3-dimensional real space.">vector3</a>& v, <span class="keyword">const</span> <span class="keywordtype">double</span>& c)
<a name="l00321"></a>00321 {
<a name="l00322"></a>00322 <span class="keywordflow">return</span> <a class="code" href="classOpenBabel_1_1vector3.shtml" title="Represents a vector in 3-dimensional real space.">vector3</a>( v.<a class="code" href="classOpenBabel_1_1vector3.shtml#abef0821fe31ac502f2d11718aef50ae3" title="Access function to get the x-coordinate of the vector.">x</a>()/c, v.<a class="code" href="classOpenBabel_1_1vector3.shtml#a60e843e6f8ec7cf8709da2954bd2c202" title="Access function to get the y-coordinate of the vector.">y</a>()/c, v.<a class="code" href="classOpenBabel_1_1vector3.shtml#ac6512d9d5bc60ad02143f34ba62e010a" title="Access function to get the z-coordinate of the vector.">z</a>()/c);
<a name="l00323"></a>00323 }
<a name="l00324"></a>00324 <span class="comment">// @removed@ misleading operation</span>
<a name="l00325"></a>00325 <span class="comment">// friend vector3 operator* ( const vector3 &,const vector3 &);</span>
<a name="l00326"></a>00326
<a name="l00327"></a>00327 <span class="comment">//vector and matrix ops</span>
<a name="l00328"></a>00328 <span class="comment">// @removed@ misleading operation; matrix multiplication is not commutitative</span>
<a name="l00329"></a>00329 <span class="comment">// friend vector3 operator *(const vector3 &v,const matrix3x3 &m);</span>
<a name="l00330"></a>00330
<a name="l00332"></a>00332 OBAPI vector3 <a class="code" href="namespaceOpenBabel.shtml#a56b20579149ab8b5807475d4302c33a2" title="Multiplication with a scalar.">operator *</a>(<span class="keyword">const</span> matrix3x3 &m, <span class="keyword">const</span> vector3 &v);
<a name="l00333"></a>00333
<a name="l00335"></a><a class="code" href="namespaceOpenBabel.shtml#a32a70eb5e04f4e10a386089723f05b2a">00335</a> <span class="keyword">inline</span> OBAPI <span class="keywordtype">double</span> <a class="code" href="namespaceOpenBabel.shtml#a32a70eb5e04f4e10a386089723f05b2a" title="Dot product of two vectors.">dot</a> ( <span class="keyword">const</span> <a class="code" href="classOpenBabel_1_1vector3.shtml" title="Represents a vector in 3-dimensional real space.">vector3</a>& v1, <span class="keyword">const</span> <a class="code" href="classOpenBabel_1_1vector3.shtml" title="Represents a vector in 3-dimensional real space.">vector3</a>& v2 )
<a name="l00336"></a>00336 {
<a name="l00337"></a>00337 <span class="keywordflow">return</span> v1.<a class="code" href="classOpenBabel_1_1vector3.shtml#abef0821fe31ac502f2d11718aef50ae3" title="Access function to get the x-coordinate of the vector.">x</a>()*v2.<a class="code" href="classOpenBabel_1_1vector3.shtml#abef0821fe31ac502f2d11718aef50ae3" title="Access function to get the x-coordinate of the vector.">x</a>() + v1.<a class="code" href="classOpenBabel_1_1vector3.shtml#a60e843e6f8ec7cf8709da2954bd2c202" title="Access function to get the y-coordinate of the vector.">y</a>()*v2.<a class="code" href="classOpenBabel_1_1vector3.shtml#a60e843e6f8ec7cf8709da2954bd2c202" title="Access function to get the y-coordinate of the vector.">y</a>() + v1.<a class="code" href="classOpenBabel_1_1vector3.shtml#ac6512d9d5bc60ad02143f34ba62e010a" title="Access function to get the z-coordinate of the vector.">z</a>()*v2.<a class="code" href="classOpenBabel_1_1vector3.shtml#ac6512d9d5bc60ad02143f34ba62e010a" title="Access function to get the z-coordinate of the vector.">z</a>() ;
<a name="l00338"></a>00338 }
<a name="l00340"></a>00340 OBAPI vector3 <a class="code" href="namespaceOpenBabel.shtml#a68dc2c35a1e58febaa9e13cd82e3a50f" title="Cross product of two vectors.">cross</a> ( <span class="keyword">const</span> vector3&, <span class="keyword">const</span> vector3& );
<a name="l00341"></a>00341
<a name="l00343"></a>00343 OBAPI <span class="keywordtype">double</span> <a class="code" href="namespaceOpenBabel.shtml#a00e2879019f2fb0fc689a7e5cb5d2008" title="Calculate the angle between vectors (in degrees)">vectorAngle</a> ( <span class="keyword">const</span> vector3& v1, <span class="keyword">const</span> vector3& v2 );
<a name="l00344"></a>00344
<a name="l00346"></a>00346 OBAPI <span class="keywordtype">double</span> <a class="code" href="namespaceOpenBabel.shtml#a62d62b3487ca8969bdfbd7c434da564e" title="Calculate the torsion angle between vectors (in degrees)">CalcTorsionAngle</a>(<span class="keyword">const</span> vector3 &a, <span class="keyword">const</span> vector3 &b,
<a name="l00347"></a>00347 <span class="keyword">const</span> vector3 &c, <span class="keyword">const</span> vector3 &d);
<a name="l00348"></a>00348
<a name="l00350"></a>00350 OBAPI <span class="keywordtype">double</span> <a class="code" href="namespaceOpenBabel.shtml#a1fa4ebe11664cfe4759ea7ccaa3abbb9" title="Calculate the signed distance of point a to the plane determined by b,c,d.">Point2PlaneSigned</a>(vector3 a, vector3 b, vector3 c, vector3 d);
<a name="l00352"></a>00352 OBAPI <span class="keywordtype">double</span> <a class="code" href="namespaceOpenBabel.shtml#ad0e0c09ef7c92973447c46d3ad3f3f8d" title="Calculate the distance of point a to the plane determined by b,c,d.">Point2Plane</a>(vector3 a, vector3 b, vector3 c, vector3 d);
<a name="l00354"></a>00354 OBAPI <span class="keywordtype">double</span> <a class="code" href="namespaceOpenBabel.shtml#a29227290e6e6931c009942836a21e5df" title="Calculate the angle between point a and the plane determined by b,c,d.">Point2PlaneAngle</a>(<span class="keyword">const</span> vector3 a, <span class="keyword">const</span> vector3 b, <span class="keyword">const</span> vector3 c, <span class="keyword">const</span> vector3 d);
<a name="l00355"></a>00355
<a name="l00357"></a>00357 OBAPI <span class="keywordtype">double</span> <a class="code" href="namespaceOpenBabel.shtml#a32827b2955824019ff9a7e0a4ebfcd64" title="Calculate the distance of a point a to a line determined by b and c.">Point2Line</a>(<span class="keyword">const</span> vector3& a, <span class="keyword">const</span> vector3& b, <span class="keyword">const</span> vector3& c);
<a name="l00358"></a>00358
<a name="l00359"></a>00359 <span class="comment">// The global constant vector3 objects</span>
<a name="l00361"></a>00361 <span class="comment"></span> <span class="keyword">extern</span> OBAPI <span class="keyword">const</span> vector3 <a class="code" href="namespaceOpenBabel.shtml#ace51dfd98be07acf3a9c75c21e8d8af2" title="The zero vector: <0.0, 0.0, 0.0>">VZero</a>;
<a name="l00363"></a>00363 <span class="keyword">extern</span> OBAPI <span class="keyword">const</span> vector3 <a class="code" href="namespaceOpenBabel.shtml#a6ca3b632d31093a7110635452bccc7bd" title="The x unit vector: <1.0, 0.0, 0.0>">VX</a>;
<a name="l00365"></a>00365 <span class="keyword">extern</span> OBAPI <span class="keyword">const</span> vector3 <a class="code" href="namespaceOpenBabel.shtml#a2d3d483edcdb477b3d15f19a001845ee" title="The y unit vector: <0.0, 1.0, 0.0>">VY</a>;
<a name="l00367"></a>00367 <span class="keyword">extern</span> OBAPI <span class="keyword">const</span> vector3 <a class="code" href="namespaceOpenBabel.shtml#a08ec791bf0217b5df66e5879a9f9c95a" title="The z unit vector: <0.0, 0.0, 1.0>">VZ</a>;
<a name="l00368"></a>00368
<a name="l00369"></a>00369 }
<a name="l00370"></a>00370
<a name="l00371"></a>00371 <span class="preprocessor">#endif // OB_VECTOR_H</span>
<a name="l00372"></a>00372 <span class="preprocessor"></span>
</pre></div></div>
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