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<li class="navelem"><a class="el" href="dir_e770f0cf77e550adde3f44739ef529fe.html">include</a></li><li class="navelem"><a class="el" href="dir_6a63c4937d4da007e55fff5dcf71e0f8.html">OpenMS</a></li><li class="navelem"><a class="el" href="dir_c97e59dcfbe99554cb41e1ea312f2f72.html">DATASTRUCTURES</a></li> </ul>
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<div class="title">IsotopeCluster.h</div> </div>
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<a href="IsotopeCluster_8h.html">Go to the documentation of this file.</a><div class="fragment"><div class="line"><a name="l00001"></a><span class="lineno"> 1</span> <span class="comment">// --------------------------------------------------------------------------</span></div>
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<div class="line"><a name="l00002"></a><span class="lineno"> 2</span> <span class="comment">// OpenMS -- Open-Source Mass Spectrometry</span></div>
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<div class="line"><a name="l00003"></a><span class="lineno"> 3</span> <span class="comment">// --------------------------------------------------------------------------</span></div>
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<div class="line"><a name="l00004"></a><span class="lineno"> 4</span> <span class="comment">// Copyright The OpenMS Team -- Eberhard Karls University Tuebingen,</span></div>
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<div class="line"><a name="l00005"></a><span class="lineno"> 5</span> <span class="comment">// ETH Zurich, and Freie Universitaet Berlin 2002-2013.</span></div>
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<div class="line"><a name="l00006"></a><span class="lineno"> 6</span> <span class="comment">//</span></div>
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<div class="line"><a name="l00007"></a><span class="lineno"> 7</span> <span class="comment">// This software is released under a three-clause BSD license:</span></div>
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<div class="line"><a name="l00008"></a><span class="lineno"> 8</span> <span class="comment">// * Redistributions of source code must retain the above copyright</span></div>
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<div class="line"><a name="l00009"></a><span class="lineno"> 9</span> <span class="comment">// notice, this list of conditions and the following disclaimer.</span></div>
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<div class="line"><a name="l00010"></a><span class="lineno"> 10</span> <span class="comment">// * Redistributions in binary form must reproduce the above copyright</span></div>
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<div class="line"><a name="l00011"></a><span class="lineno"> 11</span> <span class="comment">// notice, this list of conditions and the following disclaimer in the</span></div>
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<div class="line"><a name="l00012"></a><span class="lineno"> 12</span> <span class="comment">// documentation and/or other materials provided with the distribution.</span></div>
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<div class="line"><a name="l00013"></a><span class="lineno"> 13</span> <span class="comment">// * Neither the name of any author or any participating institution</span></div>
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<div class="line"><a name="l00014"></a><span class="lineno"> 14</span> <span class="comment">// may be used to endorse or promote products derived from this software</span></div>
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<div class="line"><a name="l00015"></a><span class="lineno"> 15</span> <span class="comment">// without specific prior written permission.</span></div>
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<div class="line"><a name="l00016"></a><span class="lineno"> 16</span> <span class="comment">// For a full list of authors, refer to the file AUTHORS.</span></div>
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<div class="line"><a name="l00017"></a><span class="lineno"> 17</span> <span class="comment">// --------------------------------------------------------------------------</span></div>
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<div class="line"><a name="l00018"></a><span class="lineno"> 18</span> <span class="comment">// THIS SOFTWARE IS PROVIDED BY THE COPYRIGHT HOLDERS AND CONTRIBUTORS "AS IS"</span></div>
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<div class="line"><a name="l00019"></a><span class="lineno"> 19</span> <span class="comment">// AND ANY EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT LIMITED TO, THE</span></div>
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<div class="line"><a name="l00020"></a><span class="lineno"> 20</span> <span class="comment">// IMPLIED WARRANTIES OF MERCHANTABILITY AND FITNESS FOR A PARTICULAR PURPOSE</span></div>
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<div class="line"><a name="l00021"></a><span class="lineno"> 21</span> <span class="comment">// ARE DISCLAIMED. IN NO EVENT SHALL ANY OF THE AUTHORS OR THE CONTRIBUTING</span></div>
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<div class="line"><a name="l00022"></a><span class="lineno"> 22</span> <span class="comment">// INSTITUTIONS BE LIABLE FOR ANY DIRECT, INDIRECT, INCIDENTAL, SPECIAL,</span></div>
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<div class="line"><a name="l00027"></a><span class="lineno"> 27</span> <span class="comment">// OTHERWISE) ARISING IN ANY WAY OUT OF THE USE OF THIS SOFTWARE, EVEN IF</span></div>
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<div class="line"><a name="l00028"></a><span class="lineno"> 28</span> <span class="comment">// ADVISED OF THE POSSIBILITY OF SUCH DAMAGE.</span></div>
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<div class="line"><a name="l00029"></a><span class="lineno"> 29</span> <span class="comment">//</span></div>
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<div class="line"><a name="l00030"></a><span class="lineno"> 30</span> <span class="comment">// --------------------------------------------------------------------------</span></div>
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<div class="line"><a name="l00031"></a><span class="lineno"> 31</span> <span class="comment">// $Maintainer: Stephan Aiche$</span></div>
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<div class="line"><a name="l00032"></a><span class="lineno"> 32</span> <span class="comment">// $Authors: Marc Sturm $</span></div>
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<div class="line"><a name="l00033"></a><span class="lineno"> 33</span> <span class="comment">// --------------------------------------------------------------------------</span></div>
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<div class="line"><a name="l00034"></a><span class="lineno"> 34</span> </div>
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<div class="line"><a name="l00035"></a><span class="lineno"> 35</span> <span class="preprocessor">#ifndef OPENMS_DATASTRUCTURES_ISOTOPECLUSTER_H</span></div>
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<div class="line"><a name="l00036"></a><span class="lineno"> 36</span> <span class="preprocessor"></span><span class="preprocessor">#define OPENMS_DATASTRUCTURES_ISOTOPECLUSTER_H</span></div>
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<div class="line"><a name="l00037"></a><span class="lineno"> 37</span> <span class="preprocessor"></span></div>
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<div class="line"><a name="l00038"></a><span class="lineno"> 38</span> <span class="preprocessor">#include <<a class="code" href="Types_8h.html">OpenMS/CONCEPT/Types.h</a>></span></div>
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<div class="line"><a name="l00039"></a><span class="lineno"> 39</span> <span class="preprocessor">#include <vector></span></div>
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<div class="line"><a name="l00040"></a><span class="lineno"> 40</span> <span class="preprocessor">#include <set></span></div>
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<div class="line"><a name="l00041"></a><span class="lineno"> 41</span> </div>
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<div class="line"><a name="l00042"></a><span class="lineno"> 42</span> <span class="keyword">namespace </span>OpenMS</div>
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<div class="line"><a name="l00043"></a><span class="lineno"> 43</span> {</div>
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<div class="line"><a name="l00045"></a><span class="lineno"><a class="line" href="structOpenMS_1_1IsotopeCluster.html"> 45</a></span>  <span class="keyword">struct </span>OPENMS_DLLAPI <a class="code" href="structOpenMS_1_1IsotopeCluster.html">IsotopeCluster</a></div>
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<div class="line"><a name="l00046"></a><span class="lineno"> 46</span>  {</div>
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<div class="line"><a name="l00048"></a><span class="lineno"><a class="line" href="structOpenMS_1_1IsotopeCluster.html#a0cab124671a3ada269f0553e1c8934da"> 48</a></span>  <span class="keyword">typedef</span> std::pair<Size, Size> <a class="code" href="structOpenMS_1_1IsotopeCluster.html#a0cab124671a3ada269f0553e1c8934da">IndexPair</a>;</div>
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<div class="line"><a name="l00050"></a><span class="lineno"><a class="line" href="structOpenMS_1_1IsotopeCluster.html#aed4049efd4228c847ab300ac4c466eca"> 50</a></span>  <span class="keyword">typedef</span> std::set<IndexPair> <a class="code" href="structOpenMS_1_1IsotopeCluster.html#aed4049efd4228c847ab300ac4c466eca">IndexSet</a>;</div>
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<div class="line"><a name="l00051"></a><span class="lineno"> 51</span> </div>
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<div class="line"><a name="l00053"></a><span class="lineno"><a class="line" href="structOpenMS_1_1IsotopeCluster_1_1ChargedIndexSet.html"> 53</a></span>  <span class="keyword">struct </span><a class="code" href="structOpenMS_1_1IsotopeCluster_1_1ChargedIndexSet.html">ChargedIndexSet</a> :</div>
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<div class="line"><a name="l00054"></a><span class="lineno"> 54</span>  <span class="keyword">public</span> <a class="code" href="structOpenMS_1_1IsotopeCluster.html#aed4049efd4228c847ab300ac4c466eca">IndexSet</a></div>
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<div class="line"><a name="l00055"></a><span class="lineno"> 55</span>  {</div>
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<div class="line"><a name="l00056"></a><span class="lineno"><a class="line" href="structOpenMS_1_1IsotopeCluster_1_1ChargedIndexSet.html#ab1aafa4407848848e4db97056404501b"> 56</a></span>  <a class="code" href="structOpenMS_1_1IsotopeCluster_1_1ChargedIndexSet.html#ab1aafa4407848848e4db97056404501b">ChargedIndexSet</a>() :</div>
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<div class="line"><a name="l00057"></a><span class="lineno"> 57</span>  charge(0)</div>
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<div class="line"><a name="l00058"></a><span class="lineno"> 58</span>  {</div>
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<div class="line"><a name="l00059"></a><span class="lineno"> 59</span>  }</div>
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<div class="line"><a name="l00060"></a><span class="lineno"> 60</span> </div>
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<div class="line"><a name="l00062"></a><span class="lineno"><a class="line" href="structOpenMS_1_1IsotopeCluster_1_1ChargedIndexSet.html#a8253a7962ca1c79b71e6af96589b7720"> 62</a></span>  <a class="code" href="group__Concept.html#ga7cc214a236ad3bb6ad435bdcf5262a3f">Int</a> <a class="code" href="structOpenMS_1_1IsotopeCluster_1_1ChargedIndexSet.html#a8253a7962ca1c79b71e6af96589b7720">charge</a>;</div>
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<div class="line"><a name="l00063"></a><span class="lineno"> 63</span>  };</div>
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<div class="line"><a name="l00064"></a><span class="lineno"> 64</span> </div>
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<div class="line"><a name="l00065"></a><span class="lineno"><a class="line" href="structOpenMS_1_1IsotopeCluster.html#a004d2a18e4dc394f2ede2d7fd88c8f23"> 65</a></span>  <a class="code" href="structOpenMS_1_1IsotopeCluster.html#a004d2a18e4dc394f2ede2d7fd88c8f23">IsotopeCluster</a>() :</div>
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<div class="line"><a name="l00066"></a><span class="lineno"> 66</span>  peaks(),</div>
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<div class="line"><a name="l00067"></a><span class="lineno"> 67</span>  scans()</div>
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<div class="line"><a name="l00068"></a><span class="lineno"> 68</span>  {</div>
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<div class="line"><a name="l00069"></a><span class="lineno"> 69</span>  }</div>
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<div class="line"><a name="l00070"></a><span class="lineno"> 70</span> </div>
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<div class="line"><a name="l00072"></a><span class="lineno"><a class="line" href="structOpenMS_1_1IsotopeCluster.html#ad4c8689a4cd1334e0eccdadcb0cc5a54"> 72</a></span>  <a class="code" href="structOpenMS_1_1IsotopeCluster_1_1ChargedIndexSet.html">ChargedIndexSet</a> <a class="code" href="structOpenMS_1_1IsotopeCluster.html#ad4c8689a4cd1334e0eccdadcb0cc5a54">peaks</a>;</div>
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<div class="line"><a name="l00073"></a><span class="lineno"> 73</span> </div>
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<div class="line"><a name="l00075"></a><span class="lineno"><a class="line" href="structOpenMS_1_1IsotopeCluster.html#a47b3744693f84a7d94f7181676f36758"> 75</a></span>  std::vector<Size> <a class="code" href="structOpenMS_1_1IsotopeCluster.html#a47b3744693f84a7d94f7181676f36758">scans</a>;</div>
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<div class="line"><a name="l00076"></a><span class="lineno"> 76</span>  };</div>
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<div class="line"><a name="l00077"></a><span class="lineno"> 77</span> </div>
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<div class="line"><a name="l00078"></a><span class="lineno"> 78</span> } <span class="comment">// namespace OPENMS</span></div>
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<div class="line"><a name="l00079"></a><span class="lineno"> 79</span> </div>
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<div class="line"><a name="l00080"></a><span class="lineno"> 80</span> <span class="preprocessor">#endif // OPENMS_DATASTRUCTURES_ISOTOPECLUSTER_H</span></div>
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<div class="ttc" id="Types_8h_html"><div class="ttname"><a href="Types_8h.html">Types.h</a></div></div>
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<div class="ttc" id="structOpenMS_1_1IsotopeCluster_html_a0cab124671a3ada269f0553e1c8934da"><div class="ttname"><a href="structOpenMS_1_1IsotopeCluster.html#a0cab124671a3ada269f0553e1c8934da">OpenMS::IsotopeCluster::IndexPair</a></div><div class="ttdeci">std::pair< Size, Size > IndexPair</div><div class="ttdoc">An index e.g. in an MSExperiment. </div><div class="ttdef"><b>Definition:</b> IsotopeCluster.h:48</div></div>
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<div class="ttc" id="structOpenMS_1_1IsotopeCluster_html_ad4c8689a4cd1334e0eccdadcb0cc5a54"><div class="ttname"><a href="structOpenMS_1_1IsotopeCluster.html#ad4c8689a4cd1334e0eccdadcb0cc5a54">OpenMS::IsotopeCluster::peaks</a></div><div class="ttdeci">ChargedIndexSet peaks</div><div class="ttdoc">peaks in this cluster </div><div class="ttdef"><b>Definition:</b> IsotopeCluster.h:72</div></div>
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<div class="ttc" id="structOpenMS_1_1IsotopeCluster_html_a004d2a18e4dc394f2ede2d7fd88c8f23"><div class="ttname"><a href="structOpenMS_1_1IsotopeCluster.html#a004d2a18e4dc394f2ede2d7fd88c8f23">OpenMS::IsotopeCluster::IsotopeCluster</a></div><div class="ttdeci">IsotopeCluster()</div><div class="ttdef"><b>Definition:</b> IsotopeCluster.h:65</div></div>
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<div class="ttc" id="structOpenMS_1_1IsotopeCluster_1_1ChargedIndexSet_html_ab1aafa4407848848e4db97056404501b"><div class="ttname"><a href="structOpenMS_1_1IsotopeCluster_1_1ChargedIndexSet.html#ab1aafa4407848848e4db97056404501b">OpenMS::IsotopeCluster::ChargedIndexSet::ChargedIndexSet</a></div><div class="ttdeci">ChargedIndexSet()</div><div class="ttdef"><b>Definition:</b> IsotopeCluster.h:56</div></div>
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<div class="ttc" id="structOpenMS_1_1IsotopeCluster_html_a47b3744693f84a7d94f7181676f36758"><div class="ttname"><a href="structOpenMS_1_1IsotopeCluster.html#a47b3744693f84a7d94f7181676f36758">OpenMS::IsotopeCluster::scans</a></div><div class="ttdeci">std::vector< Size > scans</div><div class="ttdoc">the scans of this cluster </div><div class="ttdef"><b>Definition:</b> IsotopeCluster.h:75</div></div>
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<div class="ttc" id="structOpenMS_1_1IsotopeCluster_1_1ChargedIndexSet_html"><div class="ttname"><a href="structOpenMS_1_1IsotopeCluster_1_1ChargedIndexSet.html">OpenMS::IsotopeCluster::ChargedIndexSet</a></div><div class="ttdoc">index set with associated charge estimate </div><div class="ttdef"><b>Definition:</b> IsotopeCluster.h:53</div></div>
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<div class="ttc" id="structOpenMS_1_1IsotopeCluster_html"><div class="ttname"><a href="structOpenMS_1_1IsotopeCluster.html">OpenMS::IsotopeCluster</a></div><div class="ttdoc">Stores information about an isotopic cluster (i.e. potential peptide charge variants) ...</div><div class="ttdef"><b>Definition:</b> IsotopeCluster.h:45</div></div>
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<div class="ttc" id="structOpenMS_1_1IsotopeCluster_1_1ChargedIndexSet_html_a8253a7962ca1c79b71e6af96589b7720"><div class="ttname"><a href="structOpenMS_1_1IsotopeCluster_1_1ChargedIndexSet.html#a8253a7962ca1c79b71e6af96589b7720">OpenMS::IsotopeCluster::ChargedIndexSet::charge</a></div><div class="ttdeci">Int charge</div><div class="ttdoc">charge estimate (convention: zero means &quot;no charge estimate&quot;) </div><div class="ttdef"><b>Definition:</b> IsotopeCluster.h:62</div></div>
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<div class="ttc" id="structOpenMS_1_1IsotopeCluster_html_aed4049efd4228c847ab300ac4c466eca"><div class="ttname"><a href="structOpenMS_1_1IsotopeCluster.html#aed4049efd4228c847ab300ac4c466eca">OpenMS::IsotopeCluster::IndexSet</a></div><div class="ttdeci">std::set< IndexPair > IndexSet</div><div class="ttdoc">A set of index pairs, usually referring to an MSExperiment. </div><div class="ttdef"><b>Definition:</b> IsotopeCluster.h:50</div></div>
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<div class="ttc" id="group__Concept_html_ga7cc214a236ad3bb6ad435bdcf5262a3f"><div class="ttname"><a href="group__Concept.html#ga7cc214a236ad3bb6ad435bdcf5262a3f">OpenMS::Int</a></div><div class="ttdeci">int Int</div><div class="ttdoc">Signed integer type. </div><div class="ttdef"><b>Definition:</b> Types.h:100</div></div>
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<TD><font color="#c0c0c0">OpenMS / TOPP release 1.11.1</font></TD>
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<TD align="right"><font color="#c0c0c0">Documentation generated on Thu Nov 14 2013 11:19:15 using doxygen 1.8.5</font></TD>
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