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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_5f4b1c13d07405f47ee611fa1c92df17.html">CHEMISTRY</a></li><li class="navelem"><a class="el" href="dir_b0236496b069f9a5bb167765bff837cf.html">MASSDECOMPOSITION</a></li><li class="navelem"><a class="el" href="dir_e5ce06617876553ec904e1435a0fb40c.html">IMS</a></li> </ul>
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<a href="IMSAlphabet_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>
<div class="line"><a name="l00002"></a><span class="lineno"> 2</span> <span class="comment">// OpenMS -- Open-Source Mass Spectrometry</span></div>
<div class="line"><a name="l00003"></a><span class="lineno"> 3</span> <span class="comment">// --------------------------------------------------------------------------</span></div>
<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>
<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>
<div class="line"><a name="l00006"></a><span class="lineno"> 6</span> <span class="comment">//</span></div>
<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>
<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>
<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>
<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>
<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>
<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>
<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>
<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>
<div class="line"><a name="l00015"></a><span class="lineno"> 15</span> <span class="comment">// without specific prior written permission.</span></div>
<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>
<div class="line"><a name="l00017"></a><span class="lineno"> 17</span> <span class="comment">// --------------------------------------------------------------------------</span></div>
<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>
<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>
<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>
<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>
<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>
<div class="line"><a name="l00023"></a><span class="lineno"> 23</span> <span class="comment">// EXEMPLARY, OR CONSEQUENTIAL DAMAGES (INCLUDING, BUT NOT LIMITED TO,</span></div>
<div class="line"><a name="l00024"></a><span class="lineno"> 24</span> <span class="comment">// PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES; LOSS OF USE, DATA, OR PROFITS;</span></div>
<div class="line"><a name="l00025"></a><span class="lineno"> 25</span> <span class="comment">// OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND ON ANY THEORY OF LIABILITY,</span></div>
<div class="line"><a name="l00026"></a><span class="lineno"> 26</span> <span class="comment">// WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT (INCLUDING NEGLIGENCE OR</span></div>
<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>
<div class="line"><a name="l00028"></a><span class="lineno"> 28</span> <span class="comment">// ADVISED OF THE POSSIBILITY OF SUCH DAMAGE.</span></div>
<div class="line"><a name="l00029"></a><span class="lineno"> 29</span> <span class="comment">//</span></div>
<div class="line"><a name="l00030"></a><span class="lineno"> 30</span> <span class="comment">// --------------------------------------------------------------------------</span></div>
<div class="line"><a name="l00031"></a><span class="lineno"> 31</span> <span class="comment">// $Maintainer: Stephan Aiche $</span></div>
<div class="line"><a name="l00032"></a><span class="lineno"> 32</span> <span class="comment">// $Authors: Anton Pervukhin <Anton.Pervukhin@CeBiTec.Uni-Bielefeld.DE> $</span></div>
<div class="line"><a name="l00033"></a><span class="lineno"> 33</span> <span class="comment">// --------------------------------------------------------------------------</span></div>
<div class="line"><a name="l00034"></a><span class="lineno"> 34</span> <span class="comment">//</span></div>
<div class="line"><a name="l00035"></a><span class="lineno"> 35</span> </div>
<div class="line"><a name="l00036"></a><span class="lineno"> 36</span> <span class="preprocessor">#ifndef OPENMS_CHEMISTRY_MASSDECOMPOSITION_IMS_IMSALPHABET_H</span></div>
<div class="line"><a name="l00037"></a><span class="lineno"> 37</span> <span class="preprocessor"></span><span class="preprocessor">#define OPENMS_CHEMISTRY_MASSDECOMPOSITION_IMS_IMSALPHABET_H</span></div>
<div class="line"><a name="l00038"></a><span class="lineno"> 38</span> <span class="preprocessor"></span></div>
<div class="line"><a name="l00039"></a><span class="lineno"> 39</span> <span class="preprocessor">#include <vector></span></div>
<div class="line"><a name="l00040"></a><span class="lineno"> 40</span> <span class="preprocessor">#include <string></span></div>
<div class="line"><a name="l00041"></a><span class="lineno"> 41</span> <span class="preprocessor">#include <ostream></span></div>
<div class="line"><a name="l00042"></a><span class="lineno"> 42</span> </div>
<div class="line"><a name="l00043"></a><span class="lineno"> 43</span> <span class="preprocessor">#include <<a class="code" href="Exception_8h.html">OpenMS/CONCEPT/Exception.h</a>></span></div>
<div class="line"><a name="l00044"></a><span class="lineno"> 44</span> </div>
<div class="line"><a name="l00045"></a><span class="lineno"> 45</span> <span class="preprocessor">#include <<a class="code" href="IMSElement_8h.html">OpenMS/CHEMISTRY/MASSDECOMPOSITION/IMS/IMSElement.h</a>></span></div>
<div class="line"><a name="l00046"></a><span class="lineno"> 46</span> <span class="preprocessor">#include <<a class="code" href="IMSAlphabetParser_8h.html">OpenMS/CHEMISTRY/MASSDECOMPOSITION/IMS/IMSAlphabetParser.h</a>></span></div>
<div class="line"><a name="l00047"></a><span class="lineno"> 47</span> </div>
<div class="line"><a name="l00048"></a><span class="lineno"> 48</span> <span class="keyword">namespace </span>OpenMS</div>
<div class="line"><a name="l00049"></a><span class="lineno"> 49</span> {</div>
<div class="line"><a name="l00050"></a><span class="lineno"> 50</span> </div>
<div class="line"><a name="l00051"></a><span class="lineno"><a class="line" href="namespaceOpenMS_1_1ims.html"> 51</a></span>  <span class="keyword">namespace </span>ims</div>
<div class="line"><a name="l00052"></a><span class="lineno"> 52</span>  {</div>
<div class="line"><a name="l00053"></a><span class="lineno"> 53</span> </div>
<div class="line"><a name="l00082"></a><span class="lineno"><a class="line" href="classOpenMS_1_1ims_1_1IMSAlphabet.html"> 82</a></span>  <span class="keyword">class </span>OPENMS_DLLAPI <a class="code" href="classOpenMS_1_1ims_1_1IMSAlphabet.html">IMSAlphabet</a></div>
<div class="line"><a name="l00083"></a><span class="lineno"> 83</span>  {</div>
<div class="line"><a name="l00084"></a><span class="lineno"> 84</span> </div>
<div class="line"><a name="l00085"></a><span class="lineno"> 85</span> <span class="keyword">public</span>:</div>
<div class="line"><a name="l00086"></a><span class="lineno"><a class="line" href="classOpenMS_1_1ims_1_1IMSAlphabet.html#ab0eea25a3d4f5da62abcf1582e7c74d0"> 86</a></span>  <span class="keyword">typedef</span> <a class="code" href="classOpenMS_1_1ims_1_1IMSElement.html">IMSElement</a> <a class="code" href="classOpenMS_1_1ims_1_1IMSAlphabet.html#ab0eea25a3d4f5da62abcf1582e7c74d0">element_type</a>;</div>
<div class="line"><a name="l00087"></a><span class="lineno"><a class="line" href="classOpenMS_1_1ims_1_1IMSAlphabet.html#a07e4ea5dd23ad656c06adac656ef5792"> 87</a></span>  <span class="keyword">typedef</span> <a class="code" href="classdouble.html">element_type::mass_type</a> <a class="code" href="classOpenMS_1_1ims_1_1IMSAlphabet.html#a07e4ea5dd23ad656c06adac656ef5792">mass_type</a>;</div>
<div class="line"><a name="l00088"></a><span class="lineno"><a class="line" href="classOpenMS_1_1ims_1_1IMSAlphabet.html#aca1857fb53bfd2cbedfa2b2463738537"> 88</a></span>  <span class="keyword">typedef</span> <a class="code" href="classOpenMS_1_1ims_1_1IMSElement.html#a7b55979d7c1329d2bb62cd54d3d59b15">element_type::name_type</a> <a class="code" href="classOpenMS_1_1ims_1_1IMSAlphabet.html#aca1857fb53bfd2cbedfa2b2463738537">name_type</a>;</div>
<div class="line"><a name="l00089"></a><span class="lineno"><a class="line" href="classOpenMS_1_1ims_1_1IMSAlphabet.html#a68e537b49614c26d25e6cb7154aeb2b1"> 89</a></span>  <span class="keyword">typedef</span> std::vector<element_type> <a class="code" href="classOpenMS_1_1ims_1_1IMSAlphabet.html#a68e537b49614c26d25e6cb7154aeb2b1">container</a>;</div>
<div class="line"><a name="l00090"></a><span class="lineno"><a class="line" href="classOpenMS_1_1ims_1_1IMSAlphabet.html#a146209cf05855db592adfc4027db83ba"> 90</a></span>  <span class="keyword">typedef</span> container::size_type <a class="code" href="classOpenMS_1_1ims_1_1IMSAlphabet.html#a146209cf05855db592adfc4027db83ba">size_type</a>;</div>
<div class="line"><a name="l00091"></a><span class="lineno"><a class="line" href="classOpenMS_1_1ims_1_1IMSAlphabet.html#a6a249762345935fe6306d205a6cd4af2"> 91</a></span>  <span class="keyword">typedef</span> container::iterator <a class="code" href="classOpenMS_1_1ims_1_1IMSAlphabet.html#a6a249762345935fe6306d205a6cd4af2">iterator</a>;</div>
<div class="line"><a name="l00092"></a><span class="lineno"><a class="line" href="classOpenMS_1_1ims_1_1IMSAlphabet.html#ad1d3e059cebb52f3445c84734b44f930"> 92</a></span>  <span class="keyword">typedef</span> container::const_iterator <a class="code" href="classOpenMS_1_1ims_1_1IMSAlphabet.html#ad1d3e059cebb52f3445c84734b44f930">const_iterator</a>;</div>
<div class="line"><a name="l00093"></a><span class="lineno"><a class="line" href="classOpenMS_1_1ims_1_1IMSAlphabet.html#a990e2bbf2140e8e6068af299bf088a8d"> 93</a></span>  <span class="keyword">typedef</span> std::vector<name_type> <a class="code" href="classOpenMS_1_1ims_1_1IMSAlphabet.html#a990e2bbf2140e8e6068af299bf088a8d">name_container</a>;</div>
<div class="line"><a name="l00094"></a><span class="lineno"><a class="line" href="classOpenMS_1_1ims_1_1IMSAlphabet.html#a991fdbd9be7bb6dad50c645ce54b586f"> 94</a></span>  <span class="keyword">typedef</span> name_container::iterator <a class="code" href="classOpenMS_1_1ims_1_1IMSAlphabet.html#a991fdbd9be7bb6dad50c645ce54b586f">name_iterator</a>;</div>
<div class="line"><a name="l00095"></a><span class="lineno"><a class="line" href="classOpenMS_1_1ims_1_1IMSAlphabet.html#ae2babb6b0c11d500565907ac85a3b4b2"> 95</a></span>  <span class="keyword">typedef</span> name_container::const_iterator <a class="code" href="classOpenMS_1_1ims_1_1IMSAlphabet.html#ae2babb6b0c11d500565907ac85a3b4b2">const_name_iterator</a>;</div>
<div class="line"><a name="l00096"></a><span class="lineno"><a class="line" href="classOpenMS_1_1ims_1_1IMSAlphabet.html#a672ef607c84029040df05768631feebd"> 96</a></span>  <span class="keyword">typedef</span> std::vector<mass_type> <a class="code" href="classOpenMS_1_1ims_1_1IMSAlphabet.html#a672ef607c84029040df05768631feebd">mass_container</a>;</div>
<div class="line"><a name="l00097"></a><span class="lineno"><a class="line" href="classOpenMS_1_1ims_1_1IMSAlphabet.html#adbc5cb29c3e88b8c2682e70751bcfba7"> 97</a></span>  <span class="keyword">typedef</span> mass_container::iterator <a class="code" href="classOpenMS_1_1ims_1_1IMSAlphabet.html#adbc5cb29c3e88b8c2682e70751bcfba7">mass_iterator</a>;</div>
<div class="line"><a name="l00098"></a><span class="lineno"><a class="line" href="classOpenMS_1_1ims_1_1IMSAlphabet.html#ac736391c3f2bfeffb32662333ec985bc"> 98</a></span>  <span class="keyword">typedef</span> mass_container::const_iterator <a class="code" href="classOpenMS_1_1ims_1_1IMSAlphabet.html#ac736391c3f2bfeffb32662333ec985bc">const_mass_iterator</a>;</div>
<div class="line"><a name="l00099"></a><span class="lineno"><a class="line" href="classOpenMS_1_1ims_1_1IMSAlphabet.html#abf612361a5bba166905dd4a5892f2c30"> 99</a></span>  <span class="keyword">typedef</span> std::vector<mass_type> <a class="code" href="classOpenMS_1_1ims_1_1IMSAlphabet.html#abf612361a5bba166905dd4a5892f2c30">masses_type</a>;</div>
<div class="line"><a name="l00100"></a><span class="lineno"> 100</span> </div>
<div class="line"><a name="l00104"></a><span class="lineno"><a class="line" href="classOpenMS_1_1ims_1_1IMSAlphabet.html#a3730a308f09e8b2f8d6e959fb2a39691"> 104</a></span>  <a class="code" href="classOpenMS_1_1ims_1_1IMSAlphabet.html#a3730a308f09e8b2f8d6e959fb2a39691">IMSAlphabet</a>() {}</div>
<div class="line"><a name="l00105"></a><span class="lineno"> 105</span> </div>
<div class="line"><a name="l00106"></a><span class="lineno"> 106</span> </div>
<div class="line"><a name="l00112"></a><span class="lineno"><a class="line" href="classOpenMS_1_1ims_1_1IMSAlphabet.html#ae41ab4ceb4be2f49395921fbaab1ccbf"> 112</a></span>  <span class="keyword">explicit</span> <a class="code" href="classOpenMS_1_1ims_1_1IMSAlphabet.html#ae41ab4ceb4be2f49395921fbaab1ccbf">IMSAlphabet</a>(<span class="keyword">const</span> <a class="code" href="classOpenMS_1_1ims_1_1IMSAlphabet.html#a68e537b49614c26d25e6cb7154aeb2b1">container</a> & elements) :</div>
<div class="line"><a name="l00113"></a><span class="lineno"> 113</span>  elements_(elements)</div>
<div class="line"><a name="l00114"></a><span class="lineno"> 114</span>  {}</div>
<div class="line"><a name="l00115"></a><span class="lineno"> 115</span> </div>
<div class="line"><a name="l00116"></a><span class="lineno"> 116</span> </div>
<div class="line"><a name="l00122"></a><span class="lineno"><a class="line" href="classOpenMS_1_1ims_1_1IMSAlphabet.html#a5216e7112cf290e148443d343b0d5745"> 122</a></span>  <a class="code" href="classOpenMS_1_1ims_1_1IMSAlphabet.html#a5216e7112cf290e148443d343b0d5745">IMSAlphabet</a>(<span class="keyword">const</span> <a class="code" href="classOpenMS_1_1ims_1_1IMSAlphabet.html">IMSAlphabet</a> & alphabet) :</div>
<div class="line"><a name="l00123"></a><span class="lineno"> 123</span>  elements_(alphabet.elements_)</div>
<div class="line"><a name="l00124"></a><span class="lineno"> 124</span>  {}</div>
<div class="line"><a name="l00125"></a><span class="lineno"> 125</span> </div>
<div class="line"><a name="l00131"></a><span class="lineno"><a class="line" href="classOpenMS_1_1ims_1_1IMSAlphabet.html#a503ab01f6c0142145d3434f6924714e7"> 131</a></span>  <a class="code" href="classOpenMS_1_1ims_1_1IMSAlphabet.html#a146209cf05855db592adfc4027db83ba">size_type</a> <a class="code" href="classOpenMS_1_1ims_1_1IMSAlphabet.html#a503ab01f6c0142145d3434f6924714e7">size</a>()<span class="keyword"> const</span></div>
<div class="line"><a name="l00132"></a><span class="lineno"> 132</span> <span class="keyword"> </span>{</div>
<div class="line"><a name="l00133"></a><span class="lineno"> 133</span>  <span class="keywordflow">return</span> elements_.size();</div>
<div class="line"><a name="l00134"></a><span class="lineno"> 134</span>  }</div>
<div class="line"><a name="l00135"></a><span class="lineno"> 135</span> </div>
<div class="line"><a name="l00143"></a><span class="lineno"><a class="line" href="classOpenMS_1_1ims_1_1IMSAlphabet.html#a4abfdd0e5f4f491010e25adaa27ffa9e"> 143</a></span>  <span class="keyword">const</span> <a class="code" href="classOpenMS_1_1ims_1_1IMSElement.html">element_type</a> & <a class="code" href="classOpenMS_1_1ims_1_1IMSAlphabet.html#a4abfdd0e5f4f491010e25adaa27ffa9e">getElement</a>(<a class="code" href="classOpenMS_1_1ims_1_1IMSAlphabet.html#a146209cf05855db592adfc4027db83ba">size_type</a> index)<span class="keyword"> const</span></div>
<div class="line"><a name="l00144"></a><span class="lineno"> 144</span> <span class="keyword"> </span>{</div>
<div class="line"><a name="l00145"></a><span class="lineno"> 145</span>  <span class="keywordflow">return</span> elements_[index];</div>
<div class="line"><a name="l00146"></a><span class="lineno"> 146</span>  }</div>
<div class="line"><a name="l00147"></a><span class="lineno"> 147</span> </div>
<div class="line"><a name="l00158"></a><span class="lineno"> 158</span>  <span class="keywordtype">void</span> setElement(<span class="keyword">const</span> name_type & name, mass_type mass, <span class="keywordtype">bool</span> forced = <span class="keyword">false</span>);</div>
<div class="line"><a name="l00159"></a><span class="lineno"> 159</span> </div>
<div class="line"><a name="l00166"></a><span class="lineno"> 166</span>  <span class="keywordtype">bool</span> erase(<span class="keyword">const</span> name_type & name);</div>
<div class="line"><a name="l00167"></a><span class="lineno"> 167</span> </div>
<div class="line"><a name="l00176"></a><span class="lineno"> 176</span>  <span class="keyword">const</span> element_type & getElement(<span class="keyword">const</span> name_type & name) <span class="keyword">const</span>;</div>
<div class="line"><a name="l00177"></a><span class="lineno"> 177</span> </div>
<div class="line"><a name="l00184"></a><span class="lineno"> 184</span>  <span class="keyword">const</span> name_type & getName(size_type index) <span class="keyword">const</span>;</div>
<div class="line"><a name="l00185"></a><span class="lineno"> 185</span> </div>
<div class="line"><a name="l00195"></a><span class="lineno"> 195</span>  mass_type getMass(<span class="keyword">const</span> name_type & name) <span class="keyword">const</span>;</div>
<div class="line"><a name="l00196"></a><span class="lineno"> 196</span> </div>
<div class="line"><a name="l00204"></a><span class="lineno"> 204</span>  mass_type getMass(size_type index) <span class="keyword">const</span>;</div>
<div class="line"><a name="l00205"></a><span class="lineno"> 205</span> </div>
<div class="line"><a name="l00212"></a><span class="lineno"> 212</span>  masses_type getMasses(size_type isotope_index = 0) <span class="keyword">const</span>;</div>
<div class="line"><a name="l00213"></a><span class="lineno"> 213</span> </div>
<div class="line"><a name="l00219"></a><span class="lineno"> 219</span>  masses_type getAverageMasses() <span class="keyword">const</span>;</div>
<div class="line"><a name="l00220"></a><span class="lineno"> 220</span> </div>
<div class="line"><a name="l00228"></a><span class="lineno"> 228</span>  <span class="keywordtype">bool</span> hasName(<span class="keyword">const</span> name_type & name) <span class="keyword">const</span>;</div>
<div class="line"><a name="l00229"></a><span class="lineno"> 229</span> </div>
<div class="line"><a name="l00239"></a><span class="lineno"><a class="line" href="classOpenMS_1_1ims_1_1IMSAlphabet.html#aab0b59ba1cb54dc42d4a7b8757015074"> 239</a></span>  <span class="keywordtype">void</span> <a class="code" href="classOpenMS_1_1ims_1_1IMSAlphabet.html#aab0b59ba1cb54dc42d4a7b8757015074">push_back</a>(<span class="keyword">const</span> <a class="code" href="classOpenMS_1_1ims_1_1IMSAlphabet.html#aca1857fb53bfd2cbedfa2b2463738537">name_type</a> & name, <a class="code" href="classdouble.html">mass_type</a> value)</div>
<div class="line"><a name="l00240"></a><span class="lineno"> 240</span>  {</div>
<div class="line"><a name="l00241"></a><span class="lineno"> 241</span>  push_back(<a class="code" href="classOpenMS_1_1ims_1_1IMSElement.html">element_type</a>(name, value));</div>
<div class="line"><a name="l00242"></a><span class="lineno"> 242</span>  }</div>
<div class="line"><a name="l00243"></a><span class="lineno"> 243</span> </div>
<div class="line"><a name="l00249"></a><span class="lineno"><a class="line" href="classOpenMS_1_1ims_1_1IMSAlphabet.html#a43e8877209698ebc3b7f21b1a4e997af"> 249</a></span>  <span class="keywordtype">void</span> <a class="code" href="classOpenMS_1_1ims_1_1IMSAlphabet.html#a43e8877209698ebc3b7f21b1a4e997af">push_back</a>(<span class="keyword">const</span> <a class="code" href="classOpenMS_1_1ims_1_1IMSElement.html">element_type</a> & element)</div>
<div class="line"><a name="l00250"></a><span class="lineno"> 250</span>  {</div>
<div class="line"><a name="l00251"></a><span class="lineno"> 251</span>  elements_.push_back(element);</div>
<div class="line"><a name="l00252"></a><span class="lineno"> 252</span>  }</div>
<div class="line"><a name="l00253"></a><span class="lineno"> 253</span> </div>
<div class="line"><a name="l00257"></a><span class="lineno"><a class="line" href="classOpenMS_1_1ims_1_1IMSAlphabet.html#ac8bb3912a3ce86b15842e79d0b421204"> 257</a></span>  <span class="keywordtype">void</span> <a class="code" href="classOpenMS_1_1ims_1_1IMSAlphabet.html#ac8bb3912a3ce86b15842e79d0b421204">clear</a>()</div>
<div class="line"><a name="l00258"></a><span class="lineno"> 258</span>  {</div>
<div class="line"><a name="l00259"></a><span class="lineno"> 259</span>  elements_.clear();</div>
<div class="line"><a name="l00260"></a><span class="lineno"> 260</span>  }</div>
<div class="line"><a name="l00261"></a><span class="lineno"> 261</span> </div>
<div class="line"><a name="l00267"></a><span class="lineno"> 267</span>  <span class="keyword">virtual</span> <span class="keywordtype">void</span> sortByNames();</div>
<div class="line"><a name="l00268"></a><span class="lineno"> 268</span> </div>
<div class="line"><a name="l00269"></a><span class="lineno"> 269</span> </div>
<div class="line"><a name="l00275"></a><span class="lineno"> 275</span>  <span class="keyword">virtual</span> <span class="keywordtype">void</span> sortByValues();</div>
<div class="line"><a name="l00276"></a><span class="lineno"> 276</span> </div>
<div class="line"><a name="l00277"></a><span class="lineno"> 277</span> </div>
<div class="line"><a name="l00287"></a><span class="lineno"> 287</span>  <span class="keyword">virtual</span> <span class="keywordtype">void</span> load(<span class="keyword">const</span> std::string & fname);</div>
<div class="line"><a name="l00288"></a><span class="lineno"> 288</span> </div>
<div class="line"><a name="l00289"></a><span class="lineno"> 289</span> </div>
<div class="line"><a name="l00301"></a><span class="lineno"> 301</span>  <span class="keyword">virtual</span> <span class="keywordtype">void</span> load(<span class="keyword">const</span> std::string & fname, <a class="code" href="classOpenMS_1_1ims_1_1IMSAlphabetParser.html">IMSAlphabetParser<></a> * parser);</div>
<div class="line"><a name="l00302"></a><span class="lineno"> 302</span> </div>
<div class="line"><a name="l00303"></a><span class="lineno"> 303</span> </div>
<div class="line"><a name="l00307"></a><span class="lineno"><a class="line" href="classOpenMS_1_1ims_1_1IMSAlphabet.html#ad005e84cea98aa022e3fb744709103b3"> 307</a></span>  <span class="keyword">virtual</span> <a class="code" href="classOpenMS_1_1ims_1_1IMSAlphabet.html#ad005e84cea98aa022e3fb744709103b3">~IMSAlphabet</a>() {}</div>
<div class="line"><a name="l00308"></a><span class="lineno"> 308</span> </div>
<div class="line"><a name="l00309"></a><span class="lineno"> 309</span> <span class="keyword">private</span>:</div>
<div class="line"><a name="l00313"></a><span class="lineno"><a class="line" href="classOpenMS_1_1ims_1_1IMSAlphabet.html#a32a8fb5d088a5327deb3d3e712ee9c3e"> 313</a></span>  <a class="code" href="classOpenMS_1_1ims_1_1IMSAlphabet.html#a68e537b49614c26d25e6cb7154aeb2b1">container</a> <a class="code" href="classOpenMS_1_1ims_1_1IMSAlphabet.html#a32a8fb5d088a5327deb3d3e712ee9c3e">elements_</a>;</div>
<div class="line"><a name="l00314"></a><span class="lineno"> 314</span> </div>
<div class="line"><a name="l00318"></a><span class="lineno"><a class="line" href="classOpenMS_1_1ims_1_1IMSAlphabet_1_1MassSortingCriteria__.html"> 318</a></span>  <span class="keyword">class </span>OPENMS_DLLAPI <a class="code" href="classOpenMS_1_1ims_1_1IMSAlphabet_1_1MassSortingCriteria__.html">MassSortingCriteria_</a></div>
<div class="line"><a name="l00319"></a><span class="lineno"> 319</span>  {</div>
<div class="line"><a name="l00320"></a><span class="lineno"> 320</span> <span class="keyword">public</span>:</div>
<div class="line"><a name="l00321"></a><span class="lineno"><a class="line" href="classOpenMS_1_1ims_1_1IMSAlphabet_1_1MassSortingCriteria__.html#a3e739492316b65e115f78f839db4c0e5"> 321</a></span>  <span class="keywordtype">bool</span> <a class="code" href="classOpenMS_1_1ims_1_1IMSAlphabet_1_1MassSortingCriteria__.html#a3e739492316b65e115f78f839db4c0e5">operator()</a>(<span class="keyword">const</span> <a class="code" href="classOpenMS_1_1ims_1_1IMSElement.html">element_type</a> & el1,</div>
<div class="line"><a name="l00322"></a><span class="lineno"> 322</span>  <span class="keyword">const</span> <a class="code" href="classOpenMS_1_1ims_1_1IMSElement.html">element_type</a> & el2)<span class="keyword"> const</span></div>
<div class="line"><a name="l00323"></a><span class="lineno"> 323</span> <span class="keyword"> </span>{</div>
<div class="line"><a name="l00324"></a><span class="lineno"> 324</span>  <span class="keywordflow">return</span> el1.<a class="code" href="classOpenMS_1_1ims_1_1IMSElement.html#a18d034a9108085fffb08d9c248ec6bbe">getMass</a>() < el2.<a class="code" href="classOpenMS_1_1ims_1_1IMSElement.html#a18d034a9108085fffb08d9c248ec6bbe">getMass</a>();</div>
<div class="line"><a name="l00325"></a><span class="lineno"> 325</span>  }</div>
<div class="line"><a name="l00326"></a><span class="lineno"> 326</span> </div>
<div class="line"><a name="l00327"></a><span class="lineno"> 327</span>  };</div>
<div class="line"><a name="l00328"></a><span class="lineno"> 328</span> </div>
<div class="line"><a name="l00329"></a><span class="lineno"> 329</span>  };</div>
<div class="line"><a name="l00330"></a><span class="lineno"> 330</span> </div>
<div class="line"><a name="l00337"></a><span class="lineno"> 337</span>  OPENMS_DLLAPI std::ostream & <a class="code" href="namespaceOpenMS_1_1ims.html#a98ad29ea6eda375e52432d546bdd9a48">operator<<</a>(std::ostream & os, <span class="keyword">const</span> IMSAlphabet & alphabet);</div>
<div class="line"><a name="l00338"></a><span class="lineno"> 338</span> </div>
<div class="line"><a name="l00339"></a><span class="lineno"> 339</span>  } <span class="comment">// namespace ims</span></div>
<div class="line"><a name="l00340"></a><span class="lineno"> 340</span> </div>
<div class="line"><a name="l00341"></a><span class="lineno"> 341</span> } <span class="comment">// namespace OpenMS</span></div>
<div class="line"><a name="l00342"></a><span class="lineno"> 342</span> </div>
<div class="line"><a name="l00343"></a><span class="lineno"> 343</span> <span class="preprocessor">#endif // OPENMS_CHEMISTRY_MASSDECOMPOSITION_IMS_ALPHABET_H</span></div>
<div class="ttc" id="classOpenMS_1_1ims_1_1IMSAlphabet_html_a4abfdd0e5f4f491010e25adaa27ffa9e"><div class="ttname"><a href="classOpenMS_1_1ims_1_1IMSAlphabet.html#a4abfdd0e5f4f491010e25adaa27ffa9e">OpenMS::ims::IMSAlphabet::getElement</a></div><div class="ttdeci">const element_type & getElement(size_type index) const </div><div class="ttdef"><b>Definition:</b> IMSAlphabet.h:143</div></div>
<div class="ttc" id="classOpenMS_1_1ims_1_1IMSAlphabet_html_a990e2bbf2140e8e6068af299bf088a8d"><div class="ttname"><a href="classOpenMS_1_1ims_1_1IMSAlphabet.html#a990e2bbf2140e8e6068af299bf088a8d">OpenMS::ims::IMSAlphabet::name_container</a></div><div class="ttdeci">std::vector< name_type > name_container</div><div class="ttdef"><b>Definition:</b> IMSAlphabet.h:93</div></div>
<div class="ttc" id="classOpenMS_1_1ims_1_1IMSAlphabet_1_1MassSortingCriteria___html_a3e739492316b65e115f78f839db4c0e5"><div class="ttname"><a href="classOpenMS_1_1ims_1_1IMSAlphabet_1_1MassSortingCriteria__.html#a3e739492316b65e115f78f839db4c0e5">OpenMS::ims::IMSAlphabet::MassSortingCriteria_::operator()</a></div><div class="ttdeci">bool operator()(const element_type &el1, const element_type &el2) const </div><div class="ttdef"><b>Definition:</b> IMSAlphabet.h:321</div></div>
<div class="ttc" id="classOpenMS_1_1ims_1_1IMSElement_html_a18d034a9108085fffb08d9c248ec6bbe"><div class="ttname"><a href="classOpenMS_1_1ims_1_1IMSElement.html#a18d034a9108085fffb08d9c248ec6bbe">OpenMS::ims::IMSElement::getMass</a></div><div class="ttdeci">mass_type getMass(size_type index=0) const </div><div class="ttdef"><b>Definition:</b> IMSElement.h:175</div></div>
<div class="ttc" id="classOpenMS_1_1ims_1_1IMSAlphabet_html_ac8bb3912a3ce86b15842e79d0b421204"><div class="ttname"><a href="classOpenMS_1_1ims_1_1IMSAlphabet.html#ac8bb3912a3ce86b15842e79d0b421204">OpenMS::ims::IMSAlphabet::clear</a></div><div class="ttdeci">void clear()</div><div class="ttdef"><b>Definition:</b> IMSAlphabet.h:257</div></div>
<div class="ttc" id="classdouble_html"><div class="ttname"><a href="classdouble.html">double</a></div></div>
<div class="ttc" id="IMSElement_8h_html"><div class="ttname"><a href="IMSElement_8h.html">IMSElement.h</a></div></div>
<div class="ttc" id="classOpenMS_1_1ims_1_1IMSAlphabet_html_a146209cf05855db592adfc4027db83ba"><div class="ttname"><a href="classOpenMS_1_1ims_1_1IMSAlphabet.html#a146209cf05855db592adfc4027db83ba">OpenMS::ims::IMSAlphabet::size_type</a></div><div class="ttdeci">container::size_type size_type</div><div class="ttdef"><b>Definition:</b> IMSAlphabet.h:90</div></div>
<div class="ttc" id="classOpenMS_1_1ims_1_1IMSAlphabet_html_ad005e84cea98aa022e3fb744709103b3"><div class="ttname"><a href="classOpenMS_1_1ims_1_1IMSAlphabet.html#ad005e84cea98aa022e3fb744709103b3">OpenMS::ims::IMSAlphabet::~IMSAlphabet</a></div><div class="ttdeci">virtual ~IMSAlphabet()</div><div class="ttdef"><b>Definition:</b> IMSAlphabet.h:307</div></div>
<div class="ttc" id="classOpenMS_1_1ims_1_1IMSAlphabet_html_aca1857fb53bfd2cbedfa2b2463738537"><div class="ttname"><a href="classOpenMS_1_1ims_1_1IMSAlphabet.html#aca1857fb53bfd2cbedfa2b2463738537">OpenMS::ims::IMSAlphabet::name_type</a></div><div class="ttdeci">element_type::name_type name_type</div><div class="ttdef"><b>Definition:</b> IMSAlphabet.h:88</div></div>
<div class="ttc" id="classOpenMS_1_1ims_1_1IMSAlphabet_html_a32a8fb5d088a5327deb3d3e712ee9c3e"><div class="ttname"><a href="classOpenMS_1_1ims_1_1IMSAlphabet.html#a32a8fb5d088a5327deb3d3e712ee9c3e">OpenMS::ims::IMSAlphabet::elements_</a></div><div class="ttdeci">container elements_</div><div class="ttdef"><b>Definition:</b> IMSAlphabet.h:313</div></div>
<div class="ttc" id="classOpenMS_1_1ims_1_1IMSAlphabet_html_ac736391c3f2bfeffb32662333ec985bc"><div class="ttname"><a href="classOpenMS_1_1ims_1_1IMSAlphabet.html#ac736391c3f2bfeffb32662333ec985bc">OpenMS::ims::IMSAlphabet::const_mass_iterator</a></div><div class="ttdeci">mass_container::const_iterator const_mass_iterator</div><div class="ttdef"><b>Definition:</b> IMSAlphabet.h:98</div></div>
<div class="ttc" id="classOpenMS_1_1ims_1_1IMSAlphabet_html_aab0b59ba1cb54dc42d4a7b8757015074"><div class="ttname"><a href="classOpenMS_1_1ims_1_1IMSAlphabet.html#aab0b59ba1cb54dc42d4a7b8757015074">OpenMS::ims::IMSAlphabet::push_back</a></div><div class="ttdeci">void push_back(const name_type &name, mass_type value)</div><div class="ttdef"><b>Definition:</b> IMSAlphabet.h:239</div></div>
<div class="ttc" id="classOpenMS_1_1ims_1_1IMSElement_html"><div class="ttname"><a href="classOpenMS_1_1ims_1_1IMSElement.html">OpenMS::ims::IMSElement</a></div><div class="ttdoc">Represents a chemical atom with name and isotope distribution. </div><div class="ttdef"><b>Definition:</b> IMSElement.h:61</div></div>
<div class="ttc" id="classOpenMS_1_1ims_1_1IMSAlphabet_html_ae41ab4ceb4be2f49395921fbaab1ccbf"><div class="ttname"><a href="classOpenMS_1_1ims_1_1IMSAlphabet.html#ae41ab4ceb4be2f49395921fbaab1ccbf">OpenMS::ims::IMSAlphabet::IMSAlphabet</a></div><div class="ttdeci">IMSAlphabet(const container &elements)</div><div class="ttdef"><b>Definition:</b> IMSAlphabet.h:112</div></div>
<div class="ttc" id="IMSAlphabetParser_8h_html"><div class="ttname"><a href="IMSAlphabetParser_8h.html">IMSAlphabetParser.h</a></div></div>
<div class="ttc" id="classOpenMS_1_1ims_1_1IMSAlphabet_html_ab0eea25a3d4f5da62abcf1582e7c74d0"><div class="ttname"><a href="classOpenMS_1_1ims_1_1IMSAlphabet.html#ab0eea25a3d4f5da62abcf1582e7c74d0">OpenMS::ims::IMSAlphabet::element_type</a></div><div class="ttdeci">IMSElement element_type</div><div class="ttdef"><b>Definition:</b> IMSAlphabet.h:86</div></div>
<div class="ttc" id="classOpenMS_1_1ims_1_1IMSAlphabet_html_adbc5cb29c3e88b8c2682e70751bcfba7"><div class="ttname"><a href="classOpenMS_1_1ims_1_1IMSAlphabet.html#adbc5cb29c3e88b8c2682e70751bcfba7">OpenMS::ims::IMSAlphabet::mass_iterator</a></div><div class="ttdeci">mass_container::iterator mass_iterator</div><div class="ttdef"><b>Definition:</b> IMSAlphabet.h:97</div></div>
<div class="ttc" id="classOpenMS_1_1ims_1_1IMSAlphabet_html_a991fdbd9be7bb6dad50c645ce54b586f"><div class="ttname"><a href="classOpenMS_1_1ims_1_1IMSAlphabet.html#a991fdbd9be7bb6dad50c645ce54b586f">OpenMS::ims::IMSAlphabet::name_iterator</a></div><div class="ttdeci">name_container::iterator name_iterator</div><div class="ttdef"><b>Definition:</b> IMSAlphabet.h:94</div></div>
<div class="ttc" id="classOpenMS_1_1ims_1_1IMSAlphabet_1_1MassSortingCriteria___html"><div class="ttname"><a href="classOpenMS_1_1ims_1_1IMSAlphabet_1_1MassSortingCriteria__.html">OpenMS::ims::IMSAlphabet::MassSortingCriteria_</a></div><div class="ttdoc">Private class-functor to sort out elements in mass ascending order. </div><div class="ttdef"><b>Definition:</b> IMSAlphabet.h:318</div></div>
<div class="ttc" id="classOpenMS_1_1ims_1_1IMSAlphabet_html_a3730a308f09e8b2f8d6e959fb2a39691"><div class="ttname"><a href="classOpenMS_1_1ims_1_1IMSAlphabet.html#a3730a308f09e8b2f8d6e959fb2a39691">OpenMS::ims::IMSAlphabet::IMSAlphabet</a></div><div class="ttdeci">IMSAlphabet()</div><div class="ttdef"><b>Definition:</b> IMSAlphabet.h:104</div></div>
<div class="ttc" id="classOpenMS_1_1ims_1_1IMSAlphabet_html_abf612361a5bba166905dd4a5892f2c30"><div class="ttname"><a href="classOpenMS_1_1ims_1_1IMSAlphabet.html#abf612361a5bba166905dd4a5892f2c30">OpenMS::ims::IMSAlphabet::masses_type</a></div><div class="ttdeci">std::vector< mass_type > masses_type</div><div class="ttdef"><b>Definition:</b> IMSAlphabet.h:99</div></div>
<div class="ttc" id="classOpenMS_1_1ims_1_1IMSAlphabet_html_ae2babb6b0c11d500565907ac85a3b4b2"><div class="ttname"><a href="classOpenMS_1_1ims_1_1IMSAlphabet.html#ae2babb6b0c11d500565907ac85a3b4b2">OpenMS::ims::IMSAlphabet::const_name_iterator</a></div><div class="ttdeci">name_container::const_iterator const_name_iterator</div><div class="ttdef"><b>Definition:</b> IMSAlphabet.h:95</div></div>
<div class="ttc" id="classOpenMS_1_1ims_1_1IMSAlphabet_html_a672ef607c84029040df05768631feebd"><div class="ttname"><a href="classOpenMS_1_1ims_1_1IMSAlphabet.html#a672ef607c84029040df05768631feebd">OpenMS::ims::IMSAlphabet::mass_container</a></div><div class="ttdeci">std::vector< mass_type > mass_container</div><div class="ttdef"><b>Definition:</b> IMSAlphabet.h:96</div></div>
<div class="ttc" id="classOpenMS_1_1ims_1_1IMSAlphabet_html_a07e4ea5dd23ad656c06adac656ef5792"><div class="ttname"><a href="classOpenMS_1_1ims_1_1IMSAlphabet.html#a07e4ea5dd23ad656c06adac656ef5792">OpenMS::ims::IMSAlphabet::mass_type</a></div><div class="ttdeci">element_type::mass_type mass_type</div><div class="ttdef"><b>Definition:</b> IMSAlphabet.h:87</div></div>
<div class="ttc" id="classOpenMS_1_1ims_1_1IMSAlphabet_html_a6a249762345935fe6306d205a6cd4af2"><div class="ttname"><a href="classOpenMS_1_1ims_1_1IMSAlphabet.html#a6a249762345935fe6306d205a6cd4af2">OpenMS::ims::IMSAlphabet::iterator</a></div><div class="ttdeci">container::iterator iterator</div><div class="ttdef"><b>Definition:</b> IMSAlphabet.h:91</div></div>
<div class="ttc" id="classOpenMS_1_1ims_1_1IMSAlphabet_html_a5216e7112cf290e148443d343b0d5745"><div class="ttname"><a href="classOpenMS_1_1ims_1_1IMSAlphabet.html#a5216e7112cf290e148443d343b0d5745">OpenMS::ims::IMSAlphabet::IMSAlphabet</a></div><div class="ttdeci">IMSAlphabet(const IMSAlphabet &alphabet)</div><div class="ttdef"><b>Definition:</b> IMSAlphabet.h:122</div></div>
<div class="ttc" id="classOpenMS_1_1ims_1_1IMSAlphabet_html"><div class="ttname"><a href="classOpenMS_1_1ims_1_1IMSAlphabet.html">OpenMS::ims::IMSAlphabet</a></div><div class="ttdoc">Holds an indexed list of bio-chemical elements. </div><div class="ttdef"><b>Definition:</b> IMSAlphabet.h:82</div></div>
<div class="ttc" id="classOpenMS_1_1ims_1_1IMSAlphabet_html_ad1d3e059cebb52f3445c84734b44f930"><div class="ttname"><a href="classOpenMS_1_1ims_1_1IMSAlphabet.html#ad1d3e059cebb52f3445c84734b44f930">OpenMS::ims::IMSAlphabet::const_iterator</a></div><div class="ttdeci">container::const_iterator const_iterator</div><div class="ttdef"><b>Definition:</b> IMSAlphabet.h:92</div></div>
<div class="ttc" id="classOpenMS_1_1ims_1_1IMSAlphabetParser_html"><div class="ttname"><a href="classOpenMS_1_1ims_1_1IMSAlphabetParser.html">OpenMS::ims::IMSAlphabetParser<></a></div></div>
<div class="ttc" id="classOpenMS_1_1ims_1_1IMSElement_html_a7b55979d7c1329d2bb62cd54d3d59b15"><div class="ttname"><a href="classOpenMS_1_1ims_1_1IMSElement.html#a7b55979d7c1329d2bb62cd54d3d59b15">OpenMS::ims::IMSElement::name_type</a></div><div class="ttdeci">std::string name_type</div><div class="ttdoc">Type of element&#39;s name. </div><div class="ttdef"><b>Definition:</b> IMSElement.h:65</div></div>
<div class="ttc" id="classOpenMS_1_1ims_1_1IMSAlphabet_html_a68e537b49614c26d25e6cb7154aeb2b1"><div class="ttname"><a href="classOpenMS_1_1ims_1_1IMSAlphabet.html#a68e537b49614c26d25e6cb7154aeb2b1">OpenMS::ims::IMSAlphabet::container</a></div><div class="ttdeci">std::vector< element_type > container</div><div class="ttdef"><b>Definition:</b> IMSAlphabet.h:89</div></div>
<div class="ttc" id="Exception_8h_html"><div class="ttname"><a href="Exception_8h.html">Exception.h</a></div></div>
<div class="ttc" id="classOpenMS_1_1ims_1_1IMSAlphabet_html_a43e8877209698ebc3b7f21b1a4e997af"><div class="ttname"><a href="classOpenMS_1_1ims_1_1IMSAlphabet.html#a43e8877209698ebc3b7f21b1a4e997af">OpenMS::ims::IMSAlphabet::push_back</a></div><div class="ttdeci">void push_back(const element_type &element)</div><div class="ttdef"><b>Definition:</b> IMSAlphabet.h:249</div></div>
<div class="ttc" id="classOpenMS_1_1ims_1_1IMSAlphabet_html_a503ab01f6c0142145d3434f6924714e7"><div class="ttname"><a href="classOpenMS_1_1ims_1_1IMSAlphabet.html#a503ab01f6c0142145d3434f6924714e7">OpenMS::ims::IMSAlphabet::size</a></div><div class="ttdeci">size_type size() const </div><div class="ttdef"><b>Definition:</b> IMSAlphabet.h:131</div></div>
<div class="ttc" id="namespaceOpenMS_1_1ims_html_a98ad29ea6eda375e52432d546bdd9a48"><div class="ttname"><a href="namespaceOpenMS_1_1ims.html#a98ad29ea6eda375e52432d546bdd9a48">OpenMS::ims::operator<<</a></div><div class="ttdeci">std::ostream & operator<<(std::ostream &os, const IMSAlphabet &alphabet)</div></div>
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<TD><font color="#c0c0c0">OpenMS / TOPP release 1.11.1</font></TD>
<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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