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<div class="title">fingerprint.h</div> </div>
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<a href="fingerprint_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">fingerprint.h - Base class for fingerprints and fast searching</span>
<a name="l00003"></a>00003 <span class="comment"></span>
<a name="l00004"></a>00004 <span class="comment">Copyright (C) 2005 by Chris Morley</span>
<a name="l00005"></a>00005 <span class="comment"></span>
<a name="l00006"></a>00006 <span class="comment">This file is part of the Open Babel project.</span>
<a name="l00007"></a>00007 <span class="comment">For more information, see <http://openbabel.org/></span>
<a name="l00008"></a>00008 <span class="comment"></span>
<a name="l00009"></a>00009 <span class="comment">This program is free software; you can redistribute it and/or modify</span>
<a name="l00010"></a>00010 <span class="comment">it under the terms of the GNU General Public License as published by</span>
<a name="l00011"></a>00011 <span class="comment">the Free Software Foundation version 2 of the License.</span>
<a name="l00012"></a>00012 <span class="comment"></span>
<a name="l00013"></a>00013 <span class="comment">This program is distributed in the hope that it will be useful,</span>
<a name="l00014"></a>00014 <span class="comment">but WITHOUT ANY WARRANTY; without even the implied warranty of</span>
<a name="l00015"></a>00015 <span class="comment">MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the</span>
<a name="l00016"></a>00016 <span class="comment">GNU General Public License for more details.</span>
<a name="l00017"></a>00017 <span class="comment">***********************************************************************/</span>
<a name="l00018"></a>00018
<a name="l00019"></a>00019 <span class="preprocessor">#ifndef OB_FINGERPRINT_H</span>
<a name="l00020"></a>00020 <span class="preprocessor"></span><span class="preprocessor">#define OB_FINGERPRINT_H</span>
<a name="l00021"></a>00021 <span class="preprocessor"></span>
<a name="l00022"></a>00022 <span class="preprocessor">#include <list></span>
<a name="l00023"></a>00023 <span class="preprocessor">#include <map></span>
<a name="l00024"></a>00024 <span class="preprocessor">#include <set></span>
<a name="l00025"></a>00025 <span class="preprocessor">#include <vector></span>
<a name="l00026"></a>00026 <span class="preprocessor">#include <string></span>
<a name="l00027"></a>00027
<a name="l00028"></a>00028 <span class="preprocessor">#include <<a class="code" href="plugin_8h.shtml" title="Simplify 'plugin' classes to be discovered and/or loaded at runtime.">openbabel/plugin.h</a>></span>
<a name="l00029"></a>00029
<a name="l00030"></a>00030 <span class="preprocessor">#ifndef OBFPRT</span>
<a name="l00031"></a>00031 <span class="preprocessor"></span><span class="preprocessor">#define OBFPRT</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="keyword">namespace </span>OpenBabel
<a name="l00035"></a>00035 {
<a name="l00036"></a>00036 <span class="keyword">class </span>OBBase; <span class="comment">//Forward declaration; used only as pointer.</span>
<a name="l00037"></a>00037
<a name="l00039"></a><a class="code" href="classOpenBabel_1_1OBFingerprint.shtml">00039</a> <span class="keyword">class </span>OBFPRT <a class="code" href="classOpenBabel_1_1OBFingerprint.shtml" title="The base class for fingerprints.">OBFingerprint</a> : <span class="keyword">public</span> <a class="code" href="classOpenBabel_1_1OBPlugin.shtml" title="Base class for all types of dynamic classes discovered at runtime.">OBPlugin</a>
<a name="l00040"></a>00040 {
<a name="l00041"></a>00041 <span class="comment">//see end of cpp file for detailed documentation</span>
<a name="l00042"></a>00042
<a name="l00043"></a>00043 <a class="code" href="group__plugins.shtml#gadd740e2a386b7db3e1f0e271cbe8a3f1">MAKE_PLUGIN</a>(<a class="code" href="classOpenBabel_1_1OBFingerprint.shtml" title="The base class for fingerprints.">OBFingerprint</a>)
<a name="l00044"></a>00044
<a name="l00045"></a>00045 <span class="keyword">const</span> <span class="keywordtype">char</span>* TypeID()
<a name="l00046"></a>00046 {
<a name="l00047"></a>00047 <span class="keywordflow">return</span> <span class="stringliteral">"fingerprints"</span>;
<a name="l00048"></a>00048 }
<a name="l00049"></a>00049
<a name="l00050"></a>00050 <span class="comment">//Rest of OBFingerprints declarations</span>
<a name="l00051"></a>00051 <span class="keyword">public</span>:
<a name="l00052"></a>00052
<a name="l00053"></a><a class="code" href="classOpenBabel_1_1OBFingerprint.shtml#a55f9725c7e338f4d4c2d9f7a7c34f0cb">00053</a> <span class="keyword">virtual</span> <a class="code" href="classOpenBabel_1_1OBFingerprint.shtml#a55f9725c7e338f4d4c2d9f7a7c34f0cb">~OBFingerprint</a>(){}
<a name="l00054"></a>00054
<a name="l00056"></a>00056 <span class="keywordtype">void</span> SetBit(std::vector<unsigned int>& vec, <span class="keyword">const</span> <span class="keywordtype">unsigned</span> <span class="keywordtype">int</span> n);
<a name="l00057"></a>00057
<a name="l00059"></a>00059 <span class="keywordtype">bool</span> GetBit(<span class="keyword">const</span> std::vector<unsigned int>& vec, <span class="keyword">const</span> <span class="keywordtype">unsigned</span> <span class="keywordtype">int</span> n);
<a name="l00060"></a>00060
<a name="l00062"></a>00062 <span class="keywordtype">void</span> Fold(std::vector<unsigned int>& vec, <span class="keywordtype">unsigned</span> <span class="keywordtype">int</span> nbits);
<a name="l00063"></a>00063
<a name="l00065"></a>00065 <span class="keyword">virtual</span> <span class="keywordtype">bool</span> GetFingerprint(<a class="code" href="classOpenBabel_1_1OBBase.shtml" title="Base Class.">OBBase</a>* pOb, std::vector<unsigned int>& fp, <span class="keywordtype">int</span> nbits=0)=0;
<a name="l00066"></a>00066
<a name="l00068"></a><a class="code" href="classOpenBabel_1_1OBFingerprint.shtml#a48c2b72feb2607662249c83e85ce665b">00068</a> <span class="keyword">enum</span> <a class="code" href="classOpenBabel_1_1OBFingerprint.shtml#a48c2b72feb2607662249c83e85ce665b" title="Optional flags.">FptFlag</a>{FPT_UNIQUEBITS=1, FPT_NOINFO=2};
<a name="l00069"></a><a class="code" href="classOpenBabel_1_1OBFingerprint.shtml#a94a94537cc5ba96b1876db1b612b91a3">00069</a> <span class="keyword">virtual</span> <span class="keywordtype">unsigned</span> <span class="keywordtype">int</span> <a class="code" href="classOpenBabel_1_1OBFingerprint.shtml#a94a94537cc5ba96b1876db1b612b91a3">Flags</a>() { <span class="keywordflow">return</span> 0;};
<a name="l00071"></a><a class="code" href="classOpenBabel_1_1OBFingerprint.shtml#a6948a255af347b37b32ba5c55d6368a4">00071</a> <span class="keyword">virtual</span> <span class="keywordtype">void</span> <a class="code" href="classOpenBabel_1_1OBFingerprint.shtml#a6948a255af347b37b32ba5c55d6368a4">SetFlags</a>(<span class="keywordtype">unsigned</span> <span class="keywordtype">int</span>){}
<a name="l00072"></a>00072
<a name="l00075"></a><a class="code" href="classOpenBabel_1_1OBFingerprint.shtml#a4ffe45da1e2dd403bf6b51364717d2a6">00075</a> <span class="keyword">virtual</span> std::string DescribeBits(<span class="keyword">const</span> std::vector<unsigned int> <span class="comment">/* fp */</span>,
<a name="l00076"></a>00076 <span class="keywordtype">bool</span> <span class="comment">/* bSet */</span> =<span class="keyword">true</span>)
<a name="l00077"></a>00077 {
<a name="l00078"></a>00078 std::string txt(<span class="stringliteral">""</span>);
<a name="l00079"></a>00079 <span class="keywordflow">return</span> txt;
<a name="l00080"></a>00080 }
<a name="l00081"></a>00081
<a name="l00083"></a>00083 <span class="keyword">static</span> <span class="keywordtype">double</span> <a class="code" href="namespaceOpenBabel.shtml#aeb3b137500bda8573ee1aa5757011a66" title="The Tanimoto coefficient, which may be regarded as the proportion of the "on-bits" which are shared...">Tanimoto</a>(<span class="keyword">const</span> std::vector<unsigned int>& vec1, <span class="keyword">const</span> std::vector<unsigned int>& vec2);
<a name="l00084"></a>00084
<a name="l00086"></a><a class="code" href="classOpenBabel_1_1OBFingerprint.shtml#ae6df021d906a48593e8f9ed11bd8d128">00086</a> <span class="keyword">static</span> <span class="keywordtype">double</span> <a class="code" href="namespaceOpenBabel.shtml#aeb3b137500bda8573ee1aa5757011a66" title="The Tanimoto coefficient, which may be regarded as the proportion of the "on-bits" which are shared...">Tanimoto</a>(<span class="keyword">const</span> std::vector<unsigned int>& vec1, <span class="keyword">const</span> <span class="keywordtype">unsigned</span> <span class="keywordtype">int</span>* p2)
<a name="l00087"></a>00087 {
<a name="l00089"></a>00089 <span class="keywordtype">int</span> andbits=0, orbits=0;
<a name="l00090"></a>00090 <span class="keywordtype">unsigned</span> <span class="keywordtype">int</span> i;
<a name="l00091"></a>00091 <span class="keywordflow">for</span> (i=0;i<vec1.size();++i)
<a name="l00092"></a>00092 {
<a name="l00093"></a>00093 <span class="keywordtype">int</span> andfp = vec1[i] & p2[i];
<a name="l00094"></a>00094 <span class="keywordtype">int</span> orfp = vec1[i] | p2[i];
<a name="l00095"></a>00095 <span class="comment">// Count bits</span>
<a name="l00096"></a>00096 <span class="comment">/* GCC 3.4 supports a "population count" builtin, which on many targets is</span>
<a name="l00097"></a>00097 <span class="comment"> implemented with a single instruction. There is a fallback definition</span>
<a name="l00098"></a>00098 <span class="comment"> in libgcc in case a target does not have one, which should be just as</span>
<a name="l00099"></a>00099 <span class="comment"> good as the static function below. */</span>
<a name="l00100"></a>00100 <span class="preprocessor">#if __GNUC__ > 3 || (__GNUC__ == 3 && __GNUC_MINOR__ >= 4)</span>
<a name="l00101"></a>00101 <span class="preprocessor"></span> andbits += __builtin_popcount(andfp);
<a name="l00102"></a>00102 orbits += __builtin_popcount(orfp);
<a name="l00103"></a>00103 <span class="preprocessor">#else</span>
<a name="l00104"></a>00104 <span class="preprocessor"></span> <span class="keywordflow">for</span>(;andfp;andfp=andfp<<1)
<a name="l00105"></a>00105 <span class="keywordflow">if</span>(andfp<0) ++andbits;
<a name="l00106"></a>00106 <span class="keywordflow">for</span>(;orfp;orfp=orfp<<1)
<a name="l00107"></a>00107 <span class="keywordflow">if</span>(orfp<0) ++orbits;
<a name="l00108"></a>00108 <span class="preprocessor">#endif</span>
<a name="l00109"></a>00109 <span class="preprocessor"></span> }
<a name="l00110"></a>00110 <span class="keywordflow">return</span>((<span class="keywordtype">double</span>)andbits/(<span class="keywordtype">double</span>)orbits);
<a name="l00111"></a>00111 };
<a name="l00112"></a>00112
<a name="l00113"></a><a class="code" href="classOpenBabel_1_1OBFingerprint.shtml#ad9ecfee3be06f4c37ef48506100f6f0c">00113</a> <span class="keyword">static</span> <span class="keywordtype">unsigned</span> <span class="keywordtype">int</span> <a class="code" href="classOpenBabel_1_1OBFingerprint.shtml#ad9ecfee3be06f4c37ef48506100f6f0c">Getbitsperint</a>(){ <span class="keywordflow">return</span> bitsperint; }
<a name="l00114"></a>00114
<a name="l00115"></a>00115 <span class="keyword">private</span>:
<a name="l00117"></a>00117 <span class="keyword">struct </span>bit_or
<a name="l00118"></a>00118 {
<a name="l00119"></a>00119 <span class="keywordtype">unsigned</span> <span class="keywordtype">int</span> operator()(<span class="keyword">const</span> <span class="keywordtype">unsigned</span> <span class="keywordtype">int</span> a, <span class="keyword">const</span> <span class="keywordtype">unsigned</span> <span class="keywordtype">int</span> b)
<a name="l00120"></a>00120 {
<a name="l00121"></a>00121 <span class="keywordflow">return</span> a | b;
<a name="l00122"></a>00122 }
<a name="l00123"></a>00123 };
<a name="l00124"></a>00124
<a name="l00125"></a>00125
<a name="l00126"></a>00126 <span class="keyword">public</span>:
<a name="l00129"></a><a class="code" href="classOpenBabel_1_1OBFingerprint.shtml#a3f95fb7efe843a55b087edd16fbe4012">00129</a> <span class="keyword">static</span> <a class="code" href="classOpenBabel_1_1OBFingerprint.shtml" title="The base class for fingerprints.">OBFingerprint</a>* <a class="code" href="classOpenBabel_1_1OBFingerprint.shtml#a3f95fb7efe843a55b087edd16fbe4012" title="For backward compatibility; a synonym of OBFingerprint::FindType.">FindFingerprint</a>(<span class="keyword">const</span> <span class="keywordtype">char</span>* ID){ <span class="keywordflow">return</span> FindType(ID);}
<a name="l00130"></a>00130
<a name="l00131"></a>00131 <span class="keyword">private</span>:
<a name="l00132"></a>00132 <span class="keyword">static</span> <span class="keyword">const</span> <span class="keywordtype">unsigned</span> <span class="keywordtype">int</span> bitsperint;<span class="comment">// = 8 * sizeof(unsigned int);</span>
<a name="l00133"></a>00133 };
<a name="l00134"></a>00134
<a name="l00135"></a>00135 <span class="comment">//Fast search routines</span>
<a name="l00138"></a><a class="code" href="structOpenBabel_1_1FptIndexHeader.shtml">00138</a> <span class="comment"></span><span class="keyword">struct </span>OBFPRT <a class="code" href="structOpenBabel_1_1FptIndexHeader.shtml" title="Header for fastsearch index file.">FptIndexHeader</a>
<a name="l00139"></a>00139 {
<a name="l00140"></a><a class="code" href="structOpenBabel_1_1FptIndexHeader.shtml#ace6a28b9a2f58cb13b09af8fb5c739ba">00140</a> <span class="keywordtype">unsigned</span> <span class="keywordtype">int</span> <a class="code" href="structOpenBabel_1_1FptIndexHeader.shtml#ace6a28b9a2f58cb13b09af8fb5c739ba" title="offset to data: sizeof(FptIndexHeader)">headerlength</a>;
<a name="l00141"></a><a class="code" href="structOpenBabel_1_1FptIndexHeader.shtml#ad186ad63c9d2b800747b680984bb37eb">00141</a> <span class="keywordtype">unsigned</span> <span class="keywordtype">int</span> <a class="code" href="structOpenBabel_1_1FptIndexHeader.shtml#ad186ad63c9d2b800747b680984bb37eb" title="number of fingerprints">nEntries</a>;
<a name="l00142"></a><a class="code" href="structOpenBabel_1_1FptIndexHeader.shtml#af562bd9c6faf08f0dab334b23d5788ee">00142</a> <span class="keywordtype">unsigned</span> <span class="keywordtype">int</span> <a class="code" href="structOpenBabel_1_1FptIndexHeader.shtml#af562bd9c6faf08f0dab334b23d5788ee" title="number 32bit words per fingerprint">words</a>;
<a name="l00143"></a><a class="code" href="structOpenBabel_1_1FptIndexHeader.shtml#afa1b09f7991580662a10548fd55700ee">00143</a> <span class="keywordtype">char</span> fpid[16];
<a name="l00144"></a><a class="code" href="structOpenBabel_1_1FptIndexHeader.shtml#a5c36621530d43d4607e35153277a1058">00144</a> <span class="keywordtype">char</span> datafilename[256];
<a name="l00145"></a>00145 };
<a name="l00146"></a>00146
<a name="l00149"></a><a class="code" href="structOpenBabel_1_1FptIndex.shtml">00149</a> <span class="keyword">struct </span>OBFPRT <a class="code" href="structOpenBabel_1_1FptIndex.shtml" title="Structure of fastsearch index files.">FptIndex</a>
<a name="l00150"></a>00150 {
<a name="l00151"></a><a class="code" href="structOpenBabel_1_1FptIndex.shtml#a6d5979c64e7513c829f24e421d253ae5">00151</a> <a class="code" href="structOpenBabel_1_1FptIndexHeader.shtml" title="Header for fastsearch index file.">FptIndexHeader</a> <a class="code" href="structOpenBabel_1_1FptIndex.shtml#a6d5979c64e7513c829f24e421d253ae5">header</a>;
<a name="l00152"></a><a class="code" href="structOpenBabel_1_1FptIndex.shtml#a1d071a268033064b8771f42e57e20a0d">00152</a> std::vector<unsigned int> <a class="code" href="structOpenBabel_1_1FptIndex.shtml#a1d071a268033064b8771f42e57e20a0d">fptdata</a>;
<a name="l00153"></a><a class="code" href="structOpenBabel_1_1FptIndex.shtml#a744eaebf662c3b17f14de1cf9d628278">00153</a> std::vector<unsigned int> <a class="code" href="structOpenBabel_1_1FptIndex.shtml#a744eaebf662c3b17f14de1cf9d628278">seekdata</a>;
<a name="l00154"></a>00154 <span class="keywordtype">bool</span> Read(std::istream* pIndexstream);
<a name="l00155"></a>00155 <span class="keywordtype">bool</span> ReadIndex(std::istream* pIndexstream);
<a name="l00156"></a>00156 <span class="keywordtype">bool</span> ReadHeader(std::istream* pIndexstream);
<a name="l00157"></a>00157
<a name="l00159"></a>00159 <a class="code" href="classOpenBabel_1_1OBFingerprint.shtml" title="The base class for fingerprints.">OBFingerprint</a>* CheckFP();
<a name="l00160"></a>00160 };
<a name="l00161"></a>00161
<a name="l00164"></a><a class="code" href="classOpenBabel_1_1FastSearch.shtml">00164</a> <span class="keyword">class </span>OBFPRT <a class="code" href="classOpenBabel_1_1FastSearch.shtml" title="Class to search fingerprint index files.">FastSearch</a>
<a name="l00165"></a>00165 {
<a name="l00166"></a>00166 <span class="comment">//see end of cpp file for detailed documentation</span>
<a name="l00167"></a>00167 <span class="keyword">public</span>:
<a name="l00169"></a>00169 std::string ReadIndexFile(std::string IndexFilename);
<a name="l00170"></a>00170 std::string ReadIndex(std::istream* pIndexstream);
<a name="l00171"></a>00171
<a name="l00172"></a><a class="code" href="classOpenBabel_1_1FastSearch.shtml#a2d2d75247574ce3d0f7bbc0d4283b3c2">00172</a> <span class="keyword">virtual</span> <a class="code" href="classOpenBabel_1_1FastSearch.shtml#a2d2d75247574ce3d0f7bbc0d4283b3c2">~FastSearch</a>(){};
<a name="l00173"></a>00173
<a name="l00175"></a>00175 <span class="keywordtype">bool</span> Find(<a class="code" href="classOpenBabel_1_1OBBase.shtml" title="Base Class.">OBBase</a>* pOb, std::vector<unsigned int>& SeekPositions, <span class="keywordtype">unsigned</span> <span class="keywordtype">int</span> MaxCandidates);
<a name="l00176"></a>00176
<a name="l00179"></a>00179 <span class="keywordtype">bool</span> FindMatch(<a class="code" href="classOpenBabel_1_1OBBase.shtml" title="Base Class.">OBBase</a>* pOb, std::vector<unsigned int>& SeekPositions,
<a name="l00180"></a>00180 <span class="keywordtype">unsigned</span> <span class="keywordtype">int</span> MaxCandidates);
<a name="l00181"></a>00181
<a name="l00184"></a>00184 <span class="keywordtype">bool</span> FindSimilar(<a class="code" href="classOpenBabel_1_1OBBase.shtml" title="Base Class.">OBBase</a>* pOb, std::multimap<double, unsigned int>& SeekposMap,
<a name="l00185"></a>00185 <span class="keywordtype">double</span> MinTani, <span class="keywordtype">double</span> MaxTani = 1.1 );
<a name="l00186"></a>00186
<a name="l00189"></a>00189 <span class="keywordtype">bool</span> FindSimilar(<a class="code" href="classOpenBabel_1_1OBBase.shtml" title="Base Class.">OBBase</a>* pOb, std::multimap<double, unsigned int>& SeekposMap,
<a name="l00190"></a>00190 <span class="keywordtype">int</span> nCandidates=0);
<a name="l00191"></a>00191
<a name="l00193"></a><a class="code" href="classOpenBabel_1_1FastSearch.shtml#a753d677380f29e219da02952b7ef7430">00193</a> <a class="code" href="classOpenBabel_1_1OBFingerprint.shtml" title="The base class for fingerprints.">OBFingerprint</a>* <a class="code" href="classOpenBabel_1_1FastSearch.shtml#a753d677380f29e219da02952b7ef7430">GetFingerprint</a>()<span class="keyword"> const</span>{ <span class="keywordflow">return</span> _pFP;};
<a name="l00194"></a>00194
<a name="l00196"></a><a class="code" href="classOpenBabel_1_1FastSearch.shtml#a6c00d74d4b0859279a48173737b1f8b1">00196</a> <span class="keyword">const</span> <a class="code" href="structOpenBabel_1_1FptIndexHeader.shtml" title="Header for fastsearch index file.">FptIndexHeader</a>& <a class="code" href="classOpenBabel_1_1FastSearch.shtml#a6c00d74d4b0859279a48173737b1f8b1">GetIndexHeader</a>()<span class="keyword"> const</span>{ <span class="keywordflow">return</span> _index.header;};
<a name="l00197"></a>00197
<a name="l00198"></a>00198 <span class="keyword">private</span>:
<a name="l00199"></a>00199 <a class="code" href="structOpenBabel_1_1FptIndex.shtml" title="Structure of fastsearch index files.">FptIndex</a> _index;
<a name="l00200"></a>00200 <a class="code" href="classOpenBabel_1_1OBFingerprint.shtml" title="The base class for fingerprints.">OBFingerprint</a>* _pFP;
<a name="l00201"></a>00201 };
<a name="l00202"></a>00202
<a name="l00205"></a><a class="code" href="classOpenBabel_1_1FastSearchIndexer.shtml">00205</a> <span class="keyword">class </span>OBFPRT <a class="code" href="classOpenBabel_1_1FastSearchIndexer.shtml" title="Class to prepare fingerprint index files See FastSearch class for details.">FastSearchIndexer</a>
<a name="l00206"></a>00206 {
<a name="l00207"></a>00207 <span class="comment">//see end of cpp file for detailed documentation</span>
<a name="l00208"></a>00208 <span class="keyword">public</span>:
<a name="l00210"></a>00210 <a class="code" href="classOpenBabel_1_1FastSearchIndexer.shtml" title="Class to prepare fingerprint index files See FastSearch class for details.">FastSearchIndexer</a>(std::string& datafilename, std::ostream* os, std::string& fpid,
<a name="l00211"></a>00211 <span class="keywordtype">int</span> FptBits=0, <span class="keywordtype">int</span> nmols=0);
<a name="l00212"></a>00212
<a name="l00214"></a>00214 <a class="code" href="classOpenBabel_1_1FastSearchIndexer.shtml" title="Class to prepare fingerprint index files See FastSearch class for details.">FastSearchIndexer</a>(<a class="code" href="structOpenBabel_1_1FptIndex.shtml" title="Structure of fastsearch index files.">FptIndex</a>* pindex, std::ostream* os, <span class="keywordtype">int</span> nmols=0);
<a name="l00215"></a>00215
<a name="l00216"></a>00216 ~<a class="code" href="classOpenBabel_1_1FastSearchIndexer.shtml" title="Class to prepare fingerprint index files See FastSearch class for details.">FastSearchIndexer</a>();
<a name="l00217"></a>00217
<a name="l00219"></a>00219 <span class="keywordtype">bool</span> Add(<a class="code" href="classOpenBabel_1_1OBBase.shtml" title="Base Class.">OBBase</a>* pOb, std::streampos seekpos);
<a name="l00220"></a>00220
<a name="l00221"></a>00221 <span class="keyword">private</span>:
<a name="l00222"></a>00222 std::ostream* _indexstream;
<a name="l00223"></a>00223 <a class="code" href="structOpenBabel_1_1FptIndex.shtml" title="Structure of fastsearch index files.">FptIndex</a>* _pindex;
<a name="l00224"></a>00224 <a class="code" href="classOpenBabel_1_1OBFingerprint.shtml" title="The base class for fingerprints.">OBFingerprint</a>* _pFP;
<a name="l00225"></a>00225 <span class="keywordtype">int</span> _nbits;
<a name="l00226"></a>00226 };
<a name="l00227"></a>00227
<a name="l00228"></a>00228 } <span class="comment">//namespace OpenBabel</span>
<a name="l00229"></a>00229 <span class="preprocessor">#endif</span>
<a name="l00230"></a>00230 <span class="preprocessor"></span>
</pre></div></div>
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