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<a href="MassTrace_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: Erhan Kenar $</span></div>
<div class="line"><a name="l00032"></a><span class="lineno"> 32</span> <span class="comment">// $Authors: Erhan Kenar, Holger Franken $</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> </div>
<div class="line"><a name="l00035"></a><span class="lineno"> 35</span> <span class="preprocessor">#ifndef OPENMS_KERNEL_MASSTRACE_H</span></div>
<div class="line"><a name="l00036"></a><span class="lineno"> 36</span> <span class="preprocessor"></span><span class="preprocessor">#define OPENMS_KERNEL_MASSTRACE_H</span></div>
<div class="line"><a name="l00037"></a><span class="lineno"> 37</span> <span class="preprocessor"></span></div>
<div class="line"><a name="l00038"></a><span class="lineno"> 38</span> <span class="preprocessor">#include <<a class="code" href="Peak2D_8h.html">OpenMS/KERNEL/Peak2D.h</a>></span></div>
<div class="line"><a name="l00039"></a><span class="lineno"> 39</span> <span class="preprocessor">#include <<a class="code" href="FeatureMap_8h.html">OpenMS/KERNEL/FeatureMap.h</a>></span></div>
<div class="line"><a name="l00040"></a><span class="lineno"> 40</span> </div>
<div class="line"><a name="l00041"></a><span class="lineno"> 41</span> </div>
<div class="line"><a name="l00042"></a><span class="lineno"> 42</span> <span class="preprocessor">#include <vector></span></div>
<div class="line"><a name="l00043"></a><span class="lineno"> 43</span> <span class="preprocessor">#include <list></span></div>
<div class="line"><a name="l00044"></a><span class="lineno"> 44</span> <span class="preprocessor">#include <map></span></div>
<div class="line"><a name="l00045"></a><span class="lineno"> 45</span> </div>
<div class="line"><a name="l00046"></a><span class="lineno"> 46</span> </div>
<div class="line"><a name="l00047"></a><span class="lineno"> 47</span> <span class="keyword">namespace </span>OpenMS</div>
<div class="line"><a name="l00048"></a><span class="lineno"> 48</span> {</div>
<div class="line"><a name="l00049"></a><span class="lineno"><a class="line" href="namespaceOpenMS.html#a013338b7bdbb5c3b4c78666656070e23"> 49</a></span>  <span class="keyword">typedef</span> <a class="code" href="classOpenMS_1_1Peak2D.html">Peak2D</a> <a class="code" href="namespaceOpenMS.html#a013338b7bdbb5c3b4c78666656070e23">PeakType</a>;</div>
<div class="line"><a name="l00050"></a><span class="lineno"> 50</span> </div>
<div class="line"><a name="l00059"></a><span class="lineno"><a class="line" href="classOpenMS_1_1MassTrace.html"> 59</a></span>  <span class="keyword">class </span>OPENMS_DLLAPI <a class="code" href="classOpenMS_1_1MassTrace.html">MassTrace</a></div>
<div class="line"><a name="l00060"></a><span class="lineno"> 60</span>  {</div>
<div class="line"><a name="l00061"></a><span class="lineno"> 61</span> <span class="keyword">public</span>:</div>
<div class="line"><a name="l00064"></a><span class="lineno"> 64</span>  <a class="code" href="classOpenMS_1_1MassTrace.html">MassTrace</a>();</div>
<div class="line"><a name="l00066"></a><span class="lineno"> 66</span> </div>
<div class="line"><a name="l00068"></a><span class="lineno"> 68</span>  <a class="code" href="classOpenMS_1_1MassTrace.html">MassTrace</a>(<span class="keyword">const</span> std::list<PeakType> &, <span class="keyword">const</span> <a class="code" href="classdouble.html">DoubleReal</a> & scan_time = 1.0);</div>
<div class="line"><a name="l00069"></a><span class="lineno"> 69</span> </div>
<div class="line"><a name="l00071"></a><span class="lineno"> 71</span>  <a class="code" href="classOpenMS_1_1MassTrace.html">MassTrace</a>(<span class="keyword">const</span> std::vector<PeakType> &, <span class="keyword">const</span> <a class="code" href="classdouble.html">DoubleReal</a> & scan_time = 1.0);</div>
<div class="line"><a name="l00072"></a><span class="lineno"> 72</span> </div>
<div class="line"><a name="l00074"></a><span class="lineno"> 74</span>  ~<a class="code" href="classOpenMS_1_1MassTrace.html">MassTrace</a>();</div>
<div class="line"><a name="l00075"></a><span class="lineno"> 75</span> </div>
<div class="line"><a name="l00077"></a><span class="lineno"> 77</span>  <a class="code" href="classOpenMS_1_1MassTrace.html">MassTrace</a>(<span class="keyword">const</span> <a class="code" href="classOpenMS_1_1MassTrace.html">MassTrace</a> &);</div>
<div class="line"><a name="l00078"></a><span class="lineno"> 78</span> </div>
<div class="line"><a name="l00080"></a><span class="lineno"> 80</span>  <a class="code" href="classOpenMS_1_1MassTrace.html">MassTrace</a> & operator=(<span class="keyword">const</span> <a class="code" href="classOpenMS_1_1MassTrace.html">MassTrace</a> &);</div>
<div class="line"><a name="l00081"></a><span class="lineno"> 81</span> </div>
<div class="line"><a name="l00083"></a><span class="lineno"> 83</span>  <a class="code" href="classOpenMS_1_1Peak2D.html">PeakType</a> & operator[](<span class="keyword">const</span> <a class="code" href="group__Concept.html#gaf9ecec2d692138fab9167164a457cbd4">Size</a> & mt_idx);</div>
<div class="line"><a name="l00084"></a><span class="lineno"> 84</span>  <span class="keyword">const</span> <a class="code" href="classOpenMS_1_1Peak2D.html">PeakType</a> & operator[](<span class="keyword">const</span> <a class="code" href="group__Concept.html#gaf9ecec2d692138fab9167164a457cbd4">Size</a> & mt_idx) <span class="keyword">const</span>;</div>
<div class="line"><a name="l00085"></a><span class="lineno"> 85</span> </div>
<div class="line"><a name="l00086"></a><span class="lineno"> 86</span> </div>
<div class="line"><a name="l00090"></a><span class="lineno"><a class="line" href="classOpenMS_1_1MassTrace.html#aaf518901ad9aa3ecbed03102883e74f3"> 90</a></span>  <span class="keyword">typedef</span> std::vector<PeakType>::iterator <a class="code" href="classOpenMS_1_1MassTrace.html#aaf518901ad9aa3ecbed03102883e74f3">iterator</a>;</div>
<div class="line"><a name="l00091"></a><span class="lineno"><a class="line" href="classOpenMS_1_1MassTrace.html#a632736f0481cb841459eb78d604d4406"> 91</a></span>  <span class="keyword">typedef</span> std::vector<PeakType>::const_iterator <a class="code" href="classOpenMS_1_1MassTrace.html#a632736f0481cb841459eb78d604d4406">const_iterator</a>;</div>
<div class="line"><a name="l00092"></a><span class="lineno"><a class="line" href="classOpenMS_1_1MassTrace.html#a7550dcd04d1ec539eed203b61a78361d"> 92</a></span>  <span class="keyword">typedef</span> std::vector<PeakType>::reverse_iterator <a class="code" href="classOpenMS_1_1MassTrace.html#a7550dcd04d1ec539eed203b61a78361d">reverse_iterator</a>;</div>
<div class="line"><a name="l00093"></a><span class="lineno"><a class="line" href="classOpenMS_1_1MassTrace.html#a24113ab39b105637cbc2233ba202ce7a"> 93</a></span>  <span class="keyword">typedef</span> std::vector<PeakType>::const_reverse_iterator <a class="code" href="classOpenMS_1_1MassTrace.html#a24113ab39b105637cbc2233ba202ce7a">const_reverse_iterator</a>;</div>
<div class="line"><a name="l00094"></a><span class="lineno"> 94</span> </div>
<div class="line"><a name="l00095"></a><span class="lineno"><a class="line" href="classOpenMS_1_1MassTrace.html#ad69bd11391be1a1dba5c8202259664f8"> 95</a></span>  <a class="code" href="classOpenMS_1_1MassTrace.html#aaf518901ad9aa3ecbed03102883e74f3">iterator</a> <a class="code" href="classOpenMS_1_1MassTrace.html#ad69bd11391be1a1dba5c8202259664f8">begin</a>()</div>
<div class="line"><a name="l00096"></a><span class="lineno"> 96</span>  {</div>
<div class="line"><a name="l00097"></a><span class="lineno"> 97</span>  <span class="keywordflow">return</span> trace_peaks_.begin();</div>
<div class="line"><a name="l00098"></a><span class="lineno"> 98</span>  }</div>
<div class="line"><a name="l00099"></a><span class="lineno"> 99</span> </div>
<div class="line"><a name="l00100"></a><span class="lineno"><a class="line" href="classOpenMS_1_1MassTrace.html#acad38d52497a975bfb6f2f6acd76631f"> 100</a></span>  <a class="code" href="classOpenMS_1_1MassTrace.html#aaf518901ad9aa3ecbed03102883e74f3">iterator</a> <a class="code" href="classOpenMS_1_1MassTrace.html#acad38d52497a975bfb6f2f6acd76631f">end</a>()</div>
<div class="line"><a name="l00101"></a><span class="lineno"> 101</span>  {</div>
<div class="line"><a name="l00102"></a><span class="lineno"> 102</span>  <span class="keywordflow">return</span> trace_peaks_.end();</div>
<div class="line"><a name="l00103"></a><span class="lineno"> 103</span>  }</div>
<div class="line"><a name="l00104"></a><span class="lineno"> 104</span> </div>
<div class="line"><a name="l00105"></a><span class="lineno"><a class="line" href="classOpenMS_1_1MassTrace.html#aa4b02d4f1a8500fb07a551069060709f"> 105</a></span>  <a class="code" href="classOpenMS_1_1MassTrace.html#a632736f0481cb841459eb78d604d4406">const_iterator</a> <a class="code" href="classOpenMS_1_1MassTrace.html#aa4b02d4f1a8500fb07a551069060709f">begin</a>()<span class="keyword"> const</span></div>
<div class="line"><a name="l00106"></a><span class="lineno"> 106</span> <span class="keyword"> </span>{</div>
<div class="line"><a name="l00107"></a><span class="lineno"> 107</span>  <span class="keywordflow">return</span> trace_peaks_.begin();</div>
<div class="line"><a name="l00108"></a><span class="lineno"> 108</span>  }</div>
<div class="line"><a name="l00109"></a><span class="lineno"> 109</span> </div>
<div class="line"><a name="l00110"></a><span class="lineno"><a class="line" href="classOpenMS_1_1MassTrace.html#a350132543d80a1c1e5be844e6d2878ea"> 110</a></span>  <a class="code" href="classOpenMS_1_1MassTrace.html#a632736f0481cb841459eb78d604d4406">const_iterator</a> <a class="code" href="classOpenMS_1_1MassTrace.html#a350132543d80a1c1e5be844e6d2878ea">end</a>()<span class="keyword"> const</span></div>
<div class="line"><a name="l00111"></a><span class="lineno"> 111</span> <span class="keyword"> </span>{</div>
<div class="line"><a name="l00112"></a><span class="lineno"> 112</span>  <span class="keywordflow">return</span> trace_peaks_.end();</div>
<div class="line"><a name="l00113"></a><span class="lineno"> 113</span>  }</div>
<div class="line"><a name="l00114"></a><span class="lineno"> 114</span> </div>
<div class="line"><a name="l00115"></a><span class="lineno"><a class="line" href="classOpenMS_1_1MassTrace.html#acea44ed500a54b2bb93e16b86e81afa8"> 115</a></span>  <a class="code" href="classOpenMS_1_1MassTrace.html#a7550dcd04d1ec539eed203b61a78361d">reverse_iterator</a> <a class="code" href="classOpenMS_1_1MassTrace.html#acea44ed500a54b2bb93e16b86e81afa8">rbegin</a>()</div>
<div class="line"><a name="l00116"></a><span class="lineno"> 116</span>  {</div>
<div class="line"><a name="l00117"></a><span class="lineno"> 117</span>  <span class="keywordflow">return</span> trace_peaks_.rbegin();</div>
<div class="line"><a name="l00118"></a><span class="lineno"> 118</span>  }</div>
<div class="line"><a name="l00119"></a><span class="lineno"> 119</span> </div>
<div class="line"><a name="l00120"></a><span class="lineno"><a class="line" href="classOpenMS_1_1MassTrace.html#a68c599ddcbfddc65170de524ac165e44"> 120</a></span>  <a class="code" href="classOpenMS_1_1MassTrace.html#a7550dcd04d1ec539eed203b61a78361d">reverse_iterator</a> <a class="code" href="classOpenMS_1_1MassTrace.html#a68c599ddcbfddc65170de524ac165e44">rend</a>()</div>
<div class="line"><a name="l00121"></a><span class="lineno"> 121</span>  {</div>
<div class="line"><a name="l00122"></a><span class="lineno"> 122</span>  <span class="keywordflow">return</span> trace_peaks_.rend();</div>
<div class="line"><a name="l00123"></a><span class="lineno"> 123</span>  }</div>
<div class="line"><a name="l00124"></a><span class="lineno"> 124</span> </div>
<div class="line"><a name="l00125"></a><span class="lineno"><a class="line" href="classOpenMS_1_1MassTrace.html#a04886aa70c34d66738e78bf70c675e66"> 125</a></span>  <a class="code" href="classOpenMS_1_1MassTrace.html#a24113ab39b105637cbc2233ba202ce7a">const_reverse_iterator</a> <a class="code" href="classOpenMS_1_1MassTrace.html#a04886aa70c34d66738e78bf70c675e66">rbegin</a>()<span class="keyword"> const</span></div>
<div class="line"><a name="l00126"></a><span class="lineno"> 126</span> <span class="keyword"> </span>{</div>
<div class="line"><a name="l00127"></a><span class="lineno"> 127</span>  <span class="keywordflow">return</span> trace_peaks_.rbegin();</div>
<div class="line"><a name="l00128"></a><span class="lineno"> 128</span>  }</div>
<div class="line"><a name="l00129"></a><span class="lineno"> 129</span> </div>
<div class="line"><a name="l00130"></a><span class="lineno"><a class="line" href="classOpenMS_1_1MassTrace.html#ab3c414470d5cea2986cfab7a90146cb6"> 130</a></span>  <a class="code" href="classOpenMS_1_1MassTrace.html#a24113ab39b105637cbc2233ba202ce7a">const_reverse_iterator</a> <a class="code" href="classOpenMS_1_1MassTrace.html#ab3c414470d5cea2986cfab7a90146cb6">rend</a>()<span class="keyword"> const</span></div>
<div class="line"><a name="l00131"></a><span class="lineno"> 131</span> <span class="keyword"> </span>{</div>
<div class="line"><a name="l00132"></a><span class="lineno"> 132</span>  <span class="keywordflow">return</span> trace_peaks_.rend();</div>
<div class="line"><a name="l00133"></a><span class="lineno"> 133</span>  }</div>
<div class="line"><a name="l00134"></a><span class="lineno"> 134</span> </div>
<div class="line"><a name="l00138"></a><span class="lineno"> 138</span>  <a class="code" href="group__Concept.html#gaf9ecec2d692138fab9167164a457cbd4">Size</a> getSize()<span class="keyword"> const</span></div>
<div class="line"><a name="l00140"></a><span class="lineno"> 140</span> <span class="keyword"> </span>{</div>
<div class="line"><a name="l00141"></a><span class="lineno"> 141</span>  <span class="keywordflow">return</span> trace_peaks_.size();</div>
<div class="line"><a name="l00142"></a><span class="lineno"> 142</span>  }</div>
<div class="line"><a name="l00143"></a><span class="lineno"> 143</span> </div>
<div class="line"><a name="l00145"></a><span class="lineno"><a class="line" href="classOpenMS_1_1MassTrace.html#ad20a4bfb76715a74114026c1225ab017"> 145</a></span>  <a class="code" href="classOpenMS_1_1String.html">String</a> <a class="code" href="classOpenMS_1_1MassTrace.html#ad20a4bfb76715a74114026c1225ab017">getLabel</a>()<span class="keyword"> const</span></div>
<div class="line"><a name="l00146"></a><span class="lineno"> 146</span> <span class="keyword"> </span>{</div>
<div class="line"><a name="l00147"></a><span class="lineno"> 147</span>  <span class="keywordflow">return</span> label_;</div>
<div class="line"><a name="l00148"></a><span class="lineno"> 148</span>  }</div>
<div class="line"><a name="l00149"></a><span class="lineno"> 149</span> </div>
<div class="line"><a name="l00151"></a><span class="lineno"><a class="line" href="classOpenMS_1_1MassTrace.html#a2026eb8716d1b717960eb10db4384d67"> 151</a></span>  <span class="keywordtype">void</span> <a class="code" href="classOpenMS_1_1MassTrace.html#a2026eb8716d1b717960eb10db4384d67">setLabel</a>(<span class="keyword">const</span> <a class="code" href="classOpenMS_1_1String.html">String</a> & label)</div>
<div class="line"><a name="l00152"></a><span class="lineno"> 152</span>  {</div>
<div class="line"><a name="l00153"></a><span class="lineno"> 153</span>  label_ = label;</div>
<div class="line"><a name="l00154"></a><span class="lineno"> 154</span>  }</div>
<div class="line"><a name="l00155"></a><span class="lineno"> 155</span> </div>
<div class="line"><a name="l00157"></a><span class="lineno"><a class="line" href="classOpenMS_1_1MassTrace.html#a51e428dc5e8eea33a80534fc6fc6faeb"> 157</a></span>  <a class="code" href="classdouble.html">DoubleReal</a> <a class="code" href="classOpenMS_1_1MassTrace.html#a51e428dc5e8eea33a80534fc6fc6faeb">getCentroidMZ</a>()</div>
<div class="line"><a name="l00158"></a><span class="lineno"> 158</span>  {</div>
<div class="line"><a name="l00159"></a><span class="lineno"> 159</span>  <span class="keywordflow">return</span> centroid_mz_;</div>
<div class="line"><a name="l00160"></a><span class="lineno"> 160</span>  }</div>
<div class="line"><a name="l00161"></a><span class="lineno"> 161</span> </div>
<div class="line"><a name="l00162"></a><span class="lineno"><a class="line" href="classOpenMS_1_1MassTrace.html#a77966f940183c35f191fde541e3580e6"> 162</a></span>  <a class="code" href="classdouble.html">DoubleReal</a> <a class="code" href="classOpenMS_1_1MassTrace.html#a77966f940183c35f191fde541e3580e6">getCentroidMZ</a>()<span class="keyword"> const</span></div>
<div class="line"><a name="l00163"></a><span class="lineno"> 163</span> <span class="keyword"> </span>{</div>
<div class="line"><a name="l00164"></a><span class="lineno"> 164</span>  <span class="keywordflow">return</span> centroid_mz_;</div>
<div class="line"><a name="l00165"></a><span class="lineno"> 165</span>  }</div>
<div class="line"><a name="l00166"></a><span class="lineno"> 166</span> </div>
<div class="line"><a name="l00168"></a><span class="lineno"><a class="line" href="classOpenMS_1_1MassTrace.html#af9acc309e872fcfe98669d7f312a9fdb"> 168</a></span>  <a class="code" href="classdouble.html">DoubleReal</a> <a class="code" href="classOpenMS_1_1MassTrace.html#af9acc309e872fcfe98669d7f312a9fdb">getCentroidRT</a>()</div>
<div class="line"><a name="l00169"></a><span class="lineno"> 169</span>  {</div>
<div class="line"><a name="l00170"></a><span class="lineno"> 170</span>  <span class="keywordflow">return</span> centroid_rt_;</div>
<div class="line"><a name="l00171"></a><span class="lineno"> 171</span>  }</div>
<div class="line"><a name="l00172"></a><span class="lineno"> 172</span> </div>
<div class="line"><a name="l00173"></a><span class="lineno"><a class="line" href="classOpenMS_1_1MassTrace.html#ae6176f14e715a70a05e6a2b610f74ea1"> 173</a></span>  <a class="code" href="classdouble.html">DoubleReal</a> <a class="code" href="classOpenMS_1_1MassTrace.html#ae6176f14e715a70a05e6a2b610f74ea1">getCentroidRT</a>()<span class="keyword"> const</span></div>
<div class="line"><a name="l00174"></a><span class="lineno"> 174</span> <span class="keyword"> </span>{</div>
<div class="line"><a name="l00175"></a><span class="lineno"> 175</span>  <span class="keywordflow">return</span> centroid_rt_;</div>
<div class="line"><a name="l00176"></a><span class="lineno"> 176</span>  }</div>
<div class="line"><a name="l00177"></a><span class="lineno"> 177</span> </div>
<div class="line"><a name="l00178"></a><span class="lineno"><a class="line" href="classOpenMS_1_1MassTrace.html#ab413a3bd46353e8b0dab69c446afdb17"> 178</a></span>  <a class="code" href="classdouble.html">DoubleReal</a> <a class="code" href="classOpenMS_1_1MassTrace.html#ab413a3bd46353e8b0dab69c446afdb17">getCentroidSD</a>()</div>
<div class="line"><a name="l00179"></a><span class="lineno"> 179</span>  {</div>
<div class="line"><a name="l00180"></a><span class="lineno"> 180</span>  <span class="keywordflow">return</span> centroid_sd_;</div>
<div class="line"><a name="l00181"></a><span class="lineno"> 181</span>  }</div>
<div class="line"><a name="l00182"></a><span class="lineno"> 182</span> </div>
<div class="line"><a name="l00183"></a><span class="lineno"><a class="line" href="classOpenMS_1_1MassTrace.html#aeb6a2ac31f441511f0c0e4fe2188583b"> 183</a></span>  <a class="code" href="classdouble.html">DoubleReal</a> <a class="code" href="classOpenMS_1_1MassTrace.html#aeb6a2ac31f441511f0c0e4fe2188583b">getCentroidSD</a>()<span class="keyword"> const</span></div>
<div class="line"><a name="l00184"></a><span class="lineno"> 184</span> <span class="keyword"> </span>{</div>
<div class="line"><a name="l00185"></a><span class="lineno"> 185</span>  <span class="keywordflow">return</span> centroid_sd_;</div>
<div class="line"><a name="l00186"></a><span class="lineno"> 186</span>  }</div>
<div class="line"><a name="l00187"></a><span class="lineno"> 187</span> </div>
<div class="line"><a name="l00188"></a><span class="lineno"><a class="line" href="classOpenMS_1_1MassTrace.html#a5be259c6596eb12bb1ccfe0c5fb1dd5e"> 188</a></span>  <span class="keywordtype">void</span> <a class="code" href="classOpenMS_1_1MassTrace.html#a5be259c6596eb12bb1ccfe0c5fb1dd5e">setCentroidSD</a>(<span class="keyword">const</span> <a class="code" href="classdouble.html">DoubleReal</a> & tmp_sd)</div>
<div class="line"><a name="l00189"></a><span class="lineno"> 189</span>  {</div>
<div class="line"><a name="l00190"></a><span class="lineno"> 190</span>  centroid_sd_ = tmp_sd;</div>
<div class="line"><a name="l00191"></a><span class="lineno"> 191</span>  }</div>
<div class="line"><a name="l00192"></a><span class="lineno"> 192</span> </div>
<div class="line"><a name="l00193"></a><span class="lineno"><a class="line" href="classOpenMS_1_1MassTrace.html#adf5d803c157e52f8215e0920eb2474b1"> 193</a></span>  <a class="code" href="classdouble.html">DoubleReal</a> <a class="code" href="classOpenMS_1_1MassTrace.html#adf5d803c157e52f8215e0920eb2474b1">getFWHM</a>()</div>
<div class="line"><a name="l00194"></a><span class="lineno"> 194</span>  {</div>
<div class="line"><a name="l00195"></a><span class="lineno"> 195</span>  <span class="keywordflow">return</span> fwhm_;</div>
<div class="line"><a name="l00196"></a><span class="lineno"> 196</span>  }</div>
<div class="line"><a name="l00197"></a><span class="lineno"> 197</span> </div>
<div class="line"><a name="l00198"></a><span class="lineno"><a class="line" href="classOpenMS_1_1MassTrace.html#af78548d2419bdbe09b16dfcb1296c047"> 198</a></span>  <a class="code" href="classdouble.html">DoubleReal</a> <a class="code" href="classOpenMS_1_1MassTrace.html#af78548d2419bdbe09b16dfcb1296c047">getFWHM</a>()<span class="keyword"> const</span></div>
<div class="line"><a name="l00199"></a><span class="lineno"> 199</span> <span class="keyword"> </span>{</div>
<div class="line"><a name="l00200"></a><span class="lineno"> 200</span>  <span class="keywordflow">return</span> fwhm_;</div>
<div class="line"><a name="l00201"></a><span class="lineno"> 201</span>  }</div>
<div class="line"><a name="l00202"></a><span class="lineno"> 202</span> </div>
<div class="line"><a name="l00203"></a><span class="lineno"><a class="line" href="classOpenMS_1_1MassTrace.html#a2a4b6544a7691c481070a5dd5f821442"> 203</a></span>  <a class="code" href="classdouble.html">DoubleReal</a> <a class="code" href="classOpenMS_1_1MassTrace.html#a2a4b6544a7691c481070a5dd5f821442">getTraceLength</a>()</div>
<div class="line"><a name="l00204"></a><span class="lineno"> 204</span>  {</div>
<div class="line"><a name="l00205"></a><span class="lineno"> 205</span>  <a class="code" href="classdouble.html">DoubleReal</a> length(0.0);</div>
<div class="line"><a name="l00206"></a><span class="lineno"> 206</span> </div>
<div class="line"><a name="l00207"></a><span class="lineno"> 207</span>  <span class="keywordflow">if</span> (trace_peaks_.size() > 1)</div>
<div class="line"><a name="l00208"></a><span class="lineno"> 208</span>  {</div>
<div class="line"><a name="l00209"></a><span class="lineno"> 209</span>  length = std::fabs(trace_peaks_.rbegin()->getRT() - trace_peaks_.begin()->getRT());</div>
<div class="line"><a name="l00210"></a><span class="lineno"> 210</span>  }</div>
<div class="line"><a name="l00211"></a><span class="lineno"> 211</span> </div>
<div class="line"><a name="l00212"></a><span class="lineno"> 212</span>  <span class="keywordflow">return</span> length;</div>
<div class="line"><a name="l00213"></a><span class="lineno"> 213</span>  }</div>
<div class="line"><a name="l00214"></a><span class="lineno"> 214</span> </div>
<div class="line"><a name="l00215"></a><span class="lineno"><a class="line" href="classOpenMS_1_1MassTrace.html#a6bb7ce0f879406fe563e712200eef881"> 215</a></span>  <a class="code" href="classdouble.html">DoubleReal</a> <a class="code" href="classOpenMS_1_1MassTrace.html#a6bb7ce0f879406fe563e712200eef881">getTraceLength</a>()<span class="keyword"> const</span></div>
<div class="line"><a name="l00216"></a><span class="lineno"> 216</span> <span class="keyword"> </span>{</div>
<div class="line"><a name="l00217"></a><span class="lineno"> 217</span>  <a class="code" href="classdouble.html">DoubleReal</a> length(0.0);</div>
<div class="line"><a name="l00218"></a><span class="lineno"> 218</span> </div>
<div class="line"><a name="l00219"></a><span class="lineno"> 219</span>  <span class="keywordflow">if</span> (trace_peaks_.size() > 1)</div>
<div class="line"><a name="l00220"></a><span class="lineno"> 220</span>  {</div>
<div class="line"><a name="l00221"></a><span class="lineno"> 221</span>  length = std::fabs(trace_peaks_.rbegin()->getRT() - trace_peaks_.begin()->getRT());</div>
<div class="line"><a name="l00222"></a><span class="lineno"> 222</span>  }</div>
<div class="line"><a name="l00223"></a><span class="lineno"> 223</span> </div>
<div class="line"><a name="l00224"></a><span class="lineno"> 224</span>  <span class="keywordflow">return</span> length;</div>
<div class="line"><a name="l00225"></a><span class="lineno"> 225</span>  }</div>
<div class="line"><a name="l00226"></a><span class="lineno"> 226</span> </div>
<div class="line"><a name="l00227"></a><span class="lineno"><a class="line" href="classOpenMS_1_1MassTrace.html#ae8e11d93aa12179f660ba28a2bb39cc1"> 227</a></span>  std::pair<Size, Size> <a class="code" href="classOpenMS_1_1MassTrace.html#ae8e11d93aa12179f660ba28a2bb39cc1">getFWHMborders</a>()</div>
<div class="line"><a name="l00228"></a><span class="lineno"> 228</span>  {</div>
<div class="line"><a name="l00229"></a><span class="lineno"> 229</span>  <span class="keywordflow">return</span> std::make_pair(fwhm_start_idx_, fwhm_end_idx_);</div>
<div class="line"><a name="l00230"></a><span class="lineno"> 230</span>  }</div>
<div class="line"><a name="l00231"></a><span class="lineno"> 231</span> </div>
<div class="line"><a name="l00232"></a><span class="lineno"><a class="line" href="classOpenMS_1_1MassTrace.html#a98f13173f168e67da5eedd02ee38a0a5"> 232</a></span>  std::pair<Size, Size> <a class="code" href="classOpenMS_1_1MassTrace.html#a98f13173f168e67da5eedd02ee38a0a5">getFWHMborders</a>()<span class="keyword"> const</span></div>
<div class="line"><a name="l00233"></a><span class="lineno"> 233</span> <span class="keyword"> </span>{</div>
<div class="line"><a name="l00234"></a><span class="lineno"> 234</span>  <span class="keywordflow">return</span> std::make_pair(fwhm_start_idx_, fwhm_end_idx_);</div>
<div class="line"><a name="l00235"></a><span class="lineno"> 235</span>  }</div>
<div class="line"><a name="l00236"></a><span class="lineno"> 236</span> </div>
<div class="line"><a name="l00238"></a><span class="lineno"><a class="line" href="classOpenMS_1_1MassTrace.html#a22f7cdbc63c3ba9f49b5f66fcbfa1d14"> 238</a></span>  std::vector<DoubleReal> <a class="code" href="classOpenMS_1_1MassTrace.html#a22f7cdbc63c3ba9f49b5f66fcbfa1d14">getSmoothedIntensities</a>()</div>
<div class="line"><a name="l00239"></a><span class="lineno"> 239</span>  {</div>
<div class="line"><a name="l00240"></a><span class="lineno"> 240</span>  <span class="keywordflow">return</span> smoothed_intensities_;</div>
<div class="line"><a name="l00241"></a><span class="lineno"> 241</span>  }</div>
<div class="line"><a name="l00242"></a><span class="lineno"> 242</span> </div>
<div class="line"><a name="l00243"></a><span class="lineno"><a class="line" href="classOpenMS_1_1MassTrace.html#a196915535b393a6fb1d2f3a795678fc3"> 243</a></span>  std::vector<DoubleReal> <a class="code" href="classOpenMS_1_1MassTrace.html#a196915535b393a6fb1d2f3a795678fc3">getSmoothedIntensities</a>()<span class="keyword"> const</span></div>
<div class="line"><a name="l00244"></a><span class="lineno"> 244</span> <span class="keyword"> </span>{</div>
<div class="line"><a name="l00245"></a><span class="lineno"> 245</span>  <span class="keywordflow">return</span> smoothed_intensities_;</div>
<div class="line"><a name="l00246"></a><span class="lineno"> 246</span>  }</div>
<div class="line"><a name="l00247"></a><span class="lineno"> 247</span> </div>
<div class="line"><a name="l00249"></a><span class="lineno"><a class="line" href="classOpenMS_1_1MassTrace.html#abe46c495d57a1cc720226a55724058cf"> 249</a></span>  <span class="keywordtype">void</span> <a class="code" href="classOpenMS_1_1MassTrace.html#abe46c495d57a1cc720226a55724058cf">setSmoothedIntensities</a>(<span class="keyword">const</span> std::vector<DoubleReal> & db_vec)</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>  <span class="keywordflow">if</span> (trace_peaks_.size() != db_vec.size())</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>  <span class="keywordflow">throw</span> <a class="code" href="classOpenMS_1_1Exception_1_1InvalidValue.html">Exception::InvalidValue</a>(__FILE__, __LINE__, __PRETTY_FUNCTION__, <span class="stringliteral">"Number of smoothed intensities deviates from mass trace size! Aborting..."</span>, <a class="code" href="classOpenMS_1_1String.html">String</a>(db_vec.size()));</div>
<div class="line"><a name="l00254"></a><span class="lineno"> 254</span>  }</div>
<div class="line"><a name="l00255"></a><span class="lineno"> 255</span> </div>
<div class="line"><a name="l00256"></a><span class="lineno"> 256</span>  smoothed_intensities_ = db_vec;</div>
<div class="line"><a name="l00257"></a><span class="lineno"> 257</span>  }</div>
<div class="line"><a name="l00258"></a><span class="lineno"> 258</span> </div>
<div class="line"><a name="l00260"></a><span class="lineno"><a class="line" href="classOpenMS_1_1MassTrace.html#aab0a9eaf0888051e1fa1c7bd9f54d3db"> 260</a></span>  <a class="code" href="classdouble.html">DoubleReal</a> <a class="code" href="classOpenMS_1_1MassTrace.html#aab0a9eaf0888051e1fa1c7bd9f54d3db">getScanTime</a>()</div>
<div class="line"><a name="l00261"></a><span class="lineno"> 261</span>  {</div>
<div class="line"><a name="l00262"></a><span class="lineno"> 262</span>  <span class="keywordflow">return</span> scan_time_;</div>
<div class="line"><a name="l00263"></a><span class="lineno"> 263</span>  }</div>
<div class="line"><a name="l00264"></a><span class="lineno"> 264</span> </div>
<div class="line"><a name="l00267"></a><span class="lineno"> 267</span>  <a class="code" href="classdouble.html">DoubleReal</a> computeSmoothedPeakArea();</div>
<div class="line"><a name="l00269"></a><span class="lineno"> 269</span> </div>
<div class="line"><a name="l00270"></a><span class="lineno"> 270</span>  <a class="code" href="classdouble.html">DoubleReal</a> computePeakArea();</div>
<div class="line"><a name="l00271"></a><span class="lineno"> 271</span>  <a class="code" href="classdouble.html">DoubleReal</a> computePeakArea() <span class="keyword">const</span>;</div>
<div class="line"><a name="l00272"></a><span class="lineno"> 272</span> </div>
<div class="line"><a name="l00273"></a><span class="lineno"> 273</span> </div>
<div class="line"><a name="l00275"></a><span class="lineno"> 275</span>  <a class="code" href="group__Concept.html#gaf9ecec2d692138fab9167164a457cbd4">Size</a> findMaxByIntPeak(<span class="keywordtype">bool</span>) <span class="keyword">const</span>;</div>
<div class="line"><a name="l00276"></a><span class="lineno"> 276</span> </div>
<div class="line"><a name="l00278"></a><span class="lineno"> 278</span>  <a class="code" href="classdouble.html">DoubleReal</a> estimateFWHM(<span class="keywordtype">bool</span>);</div>
<div class="line"><a name="l00279"></a><span class="lineno"> 279</span> </div>
<div class="line"><a name="l00281"></a><span class="lineno"> 281</span>  <a class="code" href="classdouble.html">DoubleReal</a> computeFwhmAreaSmooth();</div>
<div class="line"><a name="l00282"></a><span class="lineno"> 282</span>  <a class="code" href="classdouble.html">DoubleReal</a> computeFwhmArea();</div>
<div class="line"><a name="l00283"></a><span class="lineno"> 283</span>  <a class="code" href="classdouble.html">DoubleReal</a> computeFwhmAreaSmoothRobust();</div>
<div class="line"><a name="l00284"></a><span class="lineno"> 284</span>  <a class="code" href="classdouble.html">DoubleReal</a> computeFwhmAreaRobust();</div>
<div class="line"><a name="l00285"></a><span class="lineno"> 285</span> </div>
<div class="line"><a name="l00286"></a><span class="lineno"> 286</span>  <a class="code" href="classdouble.html">DoubleReal</a> getIntensity(<span class="keywordtype">bool</span>);</div>
<div class="line"><a name="l00287"></a><span class="lineno"> 287</span>  <a class="code" href="classdouble.html">DoubleReal</a> getMaxIntensity(<span class="keywordtype">bool</span>);</div>
<div class="line"><a name="l00288"></a><span class="lineno"> 288</span>  <a class="code" href="classdouble.html">DoubleReal</a> getMaxIntensity(<span class="keywordtype">bool</span>) <span class="keyword">const</span>;</div>
<div class="line"><a name="l00289"></a><span class="lineno"> 289</span> </div>
<div class="line"><a name="l00291"></a><span class="lineno"> 291</span>  <a class="code" href="classOpenMS_1_1ConvexHull2D.html">ConvexHull2D</a> getConvexhull() <span class="keyword">const</span>;</div>
<div class="line"><a name="l00292"></a><span class="lineno"> 292</span> </div>
<div class="line"><a name="l00293"></a><span class="lineno"> 293</span> </div>
<div class="line"><a name="l00297"></a><span class="lineno"> 297</span>  <span class="keywordtype">void</span> updateSmoothedMaxRT();</div>
<div class="line"><a name="l00298"></a><span class="lineno"> 298</span> </div>
<div class="line"><a name="l00300"></a><span class="lineno"> 300</span>  <span class="keywordtype">void</span> updateWeightedMeanRT();</div>
<div class="line"><a name="l00301"></a><span class="lineno"> 301</span> </div>
<div class="line"><a name="l00302"></a><span class="lineno"> 302</span>  <span class="keywordtype">void</span> updateSmoothedWeightedMeanRT();</div>
<div class="line"><a name="l00303"></a><span class="lineno"> 303</span> </div>
<div class="line"><a name="l00305"></a><span class="lineno"> 305</span>  <span class="keywordtype">void</span> updateMedianRT();</div>
<div class="line"><a name="l00306"></a><span class="lineno"> 306</span> </div>
<div class="line"><a name="l00308"></a><span class="lineno"> 308</span>  <span class="keywordtype">void</span> updateMedianMZ();</div>
<div class="line"><a name="l00309"></a><span class="lineno"> 309</span> </div>
<div class="line"><a name="l00311"></a><span class="lineno"> 311</span>  <span class="keywordtype">void</span> updateMeanMZ();</div>
<div class="line"><a name="l00312"></a><span class="lineno"> 312</span> </div>
<div class="line"><a name="l00314"></a><span class="lineno"> 314</span>  <span class="keywordtype">void</span> updateWeightedMeanMZ();</div>
<div class="line"><a name="l00315"></a><span class="lineno"> 315</span> </div>
<div class="line"><a name="l00316"></a><span class="lineno"> 316</span>  <span class="keywordtype">void</span> updateWeightedMZsd();</div>
<div class="line"><a name="l00317"></a><span class="lineno"> 317</span> </div>
<div class="line"><a name="l00318"></a><span class="lineno"> 318</span> <span class="keyword">private</span>:</div>
<div class="line"><a name="l00320"></a><span class="lineno"><a class="line" href="classOpenMS_1_1MassTrace.html#ae97dfb84fce813336d8b4e6d9ec2f7d4"> 320</a></span>  std::vector<PeakType> <a class="code" href="classOpenMS_1_1MassTrace.html#ae97dfb84fce813336d8b4e6d9ec2f7d4">trace_peaks_</a>;</div>
<div class="line"><a name="l00321"></a><span class="lineno"> 321</span> </div>
<div class="line"><a name="l00323"></a><span class="lineno"><a class="line" href="classOpenMS_1_1MassTrace.html#a30efa24ed2517476c44d0e1e2e661527"> 323</a></span>  <a class="code" href="classdouble.html">DoubleReal</a> <a class="code" href="classOpenMS_1_1MassTrace.html#a30efa24ed2517476c44d0e1e2e661527">centroid_mz_</a>;</div>
<div class="line"><a name="l00324"></a><span class="lineno"> 324</span> </div>
<div class="line"><a name="l00326"></a><span class="lineno"><a class="line" href="classOpenMS_1_1MassTrace.html#ae9e4be8718b7106fd4f3bfdd9da911fe"> 326</a></span>  <a class="code" href="classdouble.html">DoubleReal</a> <a class="code" href="classOpenMS_1_1MassTrace.html#ae9e4be8718b7106fd4f3bfdd9da911fe">centroid_sd_</a>;</div>
<div class="line"><a name="l00327"></a><span class="lineno"> 327</span> </div>
<div class="line"><a name="l00329"></a><span class="lineno"><a class="line" href="classOpenMS_1_1MassTrace.html#a3a10e33b3d66486f13675337764fdea8"> 329</a></span>  <a class="code" href="classdouble.html">DoubleReal</a> <a class="code" href="classOpenMS_1_1MassTrace.html#a3a10e33b3d66486f13675337764fdea8">centroid_rt_</a>;</div>
<div class="line"><a name="l00330"></a><span class="lineno"> 330</span> </div>
<div class="line"><a name="l00332"></a><span class="lineno"><a class="line" href="classOpenMS_1_1MassTrace.html#a870d5b61f5e96897738e586452e51d55"> 332</a></span>  <a class="code" href="classOpenMS_1_1String.html">String</a> <a class="code" href="classOpenMS_1_1MassTrace.html#a870d5b61f5e96897738e586452e51d55">label_</a>;</div>
<div class="line"><a name="l00333"></a><span class="lineno"> 333</span> </div>
<div class="line"><a name="l00335"></a><span class="lineno"><a class="line" href="classOpenMS_1_1MassTrace.html#a8d691bc94466f87bd7af7feee52ee7c2"> 335</a></span>  std::vector<DoubleReal> <a class="code" href="classOpenMS_1_1MassTrace.html#a8d691bc94466f87bd7af7feee52ee7c2">smoothed_intensities_</a>;</div>
<div class="line"><a name="l00336"></a><span class="lineno"> 336</span> </div>
<div class="line"><a name="l00337"></a><span class="lineno"><a class="line" href="classOpenMS_1_1MassTrace.html#a8a4bbe60a66755ef8975ff62b750d1aa"> 337</a></span>  <a class="code" href="classdouble.html">DoubleReal</a> <a class="code" href="classOpenMS_1_1MassTrace.html#a8a4bbe60a66755ef8975ff62b750d1aa">fwhm_</a>;</div>
<div class="line"><a name="l00338"></a><span class="lineno"> 338</span> </div>
<div class="line"><a name="l00340"></a><span class="lineno"><a class="line" href="classOpenMS_1_1MassTrace.html#a32774f12cfeebda550a3eae98af2a4d1"> 340</a></span>  <a class="code" href="classdouble.html">DoubleReal</a> <a class="code" href="classOpenMS_1_1MassTrace.html#a32774f12cfeebda550a3eae98af2a4d1">scan_time_</a>;</div>
<div class="line"><a name="l00341"></a><span class="lineno"> 341</span> </div>
<div class="line"><a name="l00342"></a><span class="lineno"><a class="line" href="classOpenMS_1_1MassTrace.html#ab6622c26fdc29366b6c6f05986eb345c"> 342</a></span>  <a class="code" href="group__Concept.html#gaf9ecec2d692138fab9167164a457cbd4">Size</a> <a class="code" href="classOpenMS_1_1MassTrace.html#ab6622c26fdc29366b6c6f05986eb345c">fwhm_start_idx_</a>;</div>
<div class="line"><a name="l00343"></a><span class="lineno"><a class="line" href="classOpenMS_1_1MassTrace.html#afabf36a79527639f7d68d9b996f681d9"> 343</a></span>  <a class="code" href="group__Concept.html#gaf9ecec2d692138fab9167164a457cbd4">Size</a> <a class="code" href="classOpenMS_1_1MassTrace.html#afabf36a79527639f7d68d9b996f681d9">fwhm_end_idx_</a>;</div>
<div class="line"><a name="l00344"></a><span class="lineno"> 344</span> </div>
<div class="line"><a name="l00345"></a><span class="lineno"> 345</span> </div>
<div class="line"><a name="l00347"></a><span class="lineno"> 347</span>  <span class="comment">// Size fwhm_num_scans_;</span></div>
<div class="line"><a name="l00348"></a><span class="lineno"> 348</span>  };</div>
<div class="line"><a name="l00349"></a><span class="lineno"> 349</span> </div>
<div class="line"><a name="l00350"></a><span class="lineno"> 350</span> }</div>
<div class="line"><a name="l00351"></a><span class="lineno"> 351</span> </div>
<div class="line"><a name="l00352"></a><span class="lineno"> 352</span> <span class="preprocessor">#endif // OPENMS_KERNEL_MASSTRACE_H</span></div>
<div class="ttc" id="classOpenMS_1_1MassTrace_html_adf5d803c157e52f8215e0920eb2474b1"><div class="ttname"><a href="classOpenMS_1_1MassTrace.html#adf5d803c157e52f8215e0920eb2474b1">OpenMS::MassTrace::getFWHM</a></div><div class="ttdeci">DoubleReal getFWHM()</div><div class="ttdef"><b>Definition:</b> MassTrace.h:193</div></div>
<div class="ttc" id="classOpenMS_1_1MassTrace_html_a3a10e33b3d66486f13675337764fdea8"><div class="ttname"><a href="classOpenMS_1_1MassTrace.html#a3a10e33b3d66486f13675337764fdea8">OpenMS::MassTrace::centroid_rt_</a></div><div class="ttdeci">DoubleReal centroid_rt_</div><div class="ttdoc">Centroid RT. </div><div class="ttdef"><b>Definition:</b> MassTrace.h:329</div></div>
<div class="ttc" id="classOpenMS_1_1MassTrace_html_acad38d52497a975bfb6f2f6acd76631f"><div class="ttname"><a href="classOpenMS_1_1MassTrace.html#acad38d52497a975bfb6f2f6acd76631f">OpenMS::MassTrace::end</a></div><div class="ttdeci">iterator end()</div><div class="ttdef"><b>Definition:</b> MassTrace.h:100</div></div>
<div class="ttc" id="classOpenMS_1_1String_html"><div class="ttname"><a href="classOpenMS_1_1String.html">OpenMS::String</a></div><div class="ttdoc">A more convenient string class. </div><div class="ttdef"><b>Definition:</b> String.h:56</div></div>
<div class="ttc" id="classOpenMS_1_1MassTrace_html_a30efa24ed2517476c44d0e1e2e661527"><div class="ttname"><a href="classOpenMS_1_1MassTrace.html#a30efa24ed2517476c44d0e1e2e661527">OpenMS::MassTrace::centroid_mz_</a></div><div class="ttdeci">DoubleReal centroid_mz_</div><div class="ttdoc">Centroid m/z. </div><div class="ttdef"><b>Definition:</b> MassTrace.h:323</div></div>
<div class="ttc" id="classOpenMS_1_1Peak2D_html"><div class="ttname"><a href="classOpenMS_1_1Peak2D.html">OpenMS::Peak2D</a></div><div class="ttdoc">A 2-dimensional raw data point or peak. </div><div class="ttdef"><b>Definition:</b> Peak2D.h:55</div></div>
<div class="ttc" id="classOpenMS_1_1MassTrace_html_a32774f12cfeebda550a3eae98af2a4d1"><div class="ttname"><a href="classOpenMS_1_1MassTrace.html#a32774f12cfeebda550a3eae98af2a4d1">OpenMS::MassTrace::scan_time_</a></div><div class="ttdeci">DoubleReal scan_time_</div><div class="ttdoc">Scan time (time difference between two consecutive scans) </div><div class="ttdef"><b>Definition:</b> MassTrace.h:340</div></div>
<div class="ttc" id="classOpenMS_1_1MassTrace_html_af78548d2419bdbe09b16dfcb1296c047"><div class="ttname"><a href="classOpenMS_1_1MassTrace.html#af78548d2419bdbe09b16dfcb1296c047">OpenMS::MassTrace::getFWHM</a></div><div class="ttdeci">DoubleReal getFWHM() const </div><div class="ttdef"><b>Definition:</b> MassTrace.h:198</div></div>
<div class="ttc" id="classOpenMS_1_1MassTrace_html_a5be259c6596eb12bb1ccfe0c5fb1dd5e"><div class="ttname"><a href="classOpenMS_1_1MassTrace.html#a5be259c6596eb12bb1ccfe0c5fb1dd5e">OpenMS::MassTrace::setCentroidSD</a></div><div class="ttdeci">void setCentroidSD(const DoubleReal &tmp_sd)</div><div class="ttdef"><b>Definition:</b> MassTrace.h:188</div></div>
<div class="ttc" id="classOpenMS_1_1MassTrace_html_a6bb7ce0f879406fe563e712200eef881"><div class="ttname"><a href="classOpenMS_1_1MassTrace.html#a6bb7ce0f879406fe563e712200eef881">OpenMS::MassTrace::getTraceLength</a></div><div class="ttdeci">DoubleReal getTraceLength() const </div><div class="ttdef"><b>Definition:</b> MassTrace.h:215</div></div>
<div class="ttc" id="classOpenMS_1_1MassTrace_html_ab413a3bd46353e8b0dab69c446afdb17"><div class="ttname"><a href="classOpenMS_1_1MassTrace.html#ab413a3bd46353e8b0dab69c446afdb17">OpenMS::MassTrace::getCentroidSD</a></div><div class="ttdeci">DoubleReal getCentroidSD()</div><div class="ttdef"><b>Definition:</b> MassTrace.h:178</div></div>
<div class="ttc" id="namespaceOpenMS_html_a013338b7bdbb5c3b4c78666656070e23"><div class="ttname"><a href="namespaceOpenMS.html#a013338b7bdbb5c3b4c78666656070e23">OpenMS::PeakType</a></div><div class="ttdeci">Peak2D PeakType</div><div class="ttdef"><b>Definition:</b> MassTrace.h:49</div></div>
<div class="ttc" id="classdouble_html"><div class="ttname"><a href="classdouble.html">double</a></div></div>
<div class="ttc" id="classOpenMS_1_1MassTrace_html_a8a4bbe60a66755ef8975ff62b750d1aa"><div class="ttname"><a href="classOpenMS_1_1MassTrace.html#a8a4bbe60a66755ef8975ff62b750d1aa">OpenMS::MassTrace::fwhm_</a></div><div class="ttdeci">DoubleReal fwhm_</div><div class="ttdef"><b>Definition:</b> MassTrace.h:337</div></div>
<div class="ttc" id="Peak2D_8h_html"><div class="ttname"><a href="Peak2D_8h.html">Peak2D.h</a></div></div>
<div class="ttc" id="classOpenMS_1_1MassTrace_html_acea44ed500a54b2bb93e16b86e81afa8"><div class="ttname"><a href="classOpenMS_1_1MassTrace.html#acea44ed500a54b2bb93e16b86e81afa8">OpenMS::MassTrace::rbegin</a></div><div class="ttdeci">reverse_iterator rbegin()</div><div class="ttdef"><b>Definition:</b> MassTrace.h:115</div></div>
<div class="ttc" id="classOpenMS_1_1ConvexHull2D_html"><div class="ttname"><a href="classOpenMS_1_1ConvexHull2D.html">OpenMS::ConvexHull2D</a></div><div class="ttdoc">A 2-dimensional hull representation in [counter]clockwise direction - depending on axis labelling...</div><div class="ttdef"><b>Definition:</b> ConvexHull2D.h:75</div></div>
<div class="ttc" id="classOpenMS_1_1MassTrace_html_a632736f0481cb841459eb78d604d4406"><div class="ttname"><a href="classOpenMS_1_1MassTrace.html#a632736f0481cb841459eb78d604d4406">OpenMS::MassTrace::const_iterator</a></div><div class="ttdeci">std::vector< PeakType >::const_iterator const_iterator</div><div class="ttdef"><b>Definition:</b> MassTrace.h:91</div></div>
<div class="ttc" id="classOpenMS_1_1MassTrace_html_ae6176f14e715a70a05e6a2b610f74ea1"><div class="ttname"><a href="classOpenMS_1_1MassTrace.html#ae6176f14e715a70a05e6a2b610f74ea1">OpenMS::MassTrace::getCentroidRT</a></div><div class="ttdeci">DoubleReal getCentroidRT() const </div><div class="ttdef"><b>Definition:</b> MassTrace.h:173</div></div>
<div class="ttc" id="classOpenMS_1_1MassTrace_html_a04886aa70c34d66738e78bf70c675e66"><div class="ttname"><a href="classOpenMS_1_1MassTrace.html#a04886aa70c34d66738e78bf70c675e66">OpenMS::MassTrace::rbegin</a></div><div class="ttdeci">const_reverse_iterator rbegin() const </div><div class="ttdef"><b>Definition:</b> MassTrace.h:125</div></div>
<div class="ttc" id="classOpenMS_1_1MassTrace_html_aeb6a2ac31f441511f0c0e4fe2188583b"><div class="ttname"><a href="classOpenMS_1_1MassTrace.html#aeb6a2ac31f441511f0c0e4fe2188583b">OpenMS::MassTrace::getCentroidSD</a></div><div class="ttdeci">DoubleReal getCentroidSD() const </div><div class="ttdef"><b>Definition:</b> MassTrace.h:183</div></div>
<div class="ttc" id="classOpenMS_1_1MassTrace_html_a22f7cdbc63c3ba9f49b5f66fcbfa1d14"><div class="ttname"><a href="classOpenMS_1_1MassTrace.html#a22f7cdbc63c3ba9f49b5f66fcbfa1d14">OpenMS::MassTrace::getSmoothedIntensities</a></div><div class="ttdeci">std::vector< DoubleReal > getSmoothedIntensities()</div><div class="ttdoc">Gets smoothed intensities (empty if no smoothing was explicitly done beforehand!). </div><div class="ttdef"><b>Definition:</b> MassTrace.h:238</div></div>
<div class="ttc" id="classOpenMS_1_1MassTrace_html_a196915535b393a6fb1d2f3a795678fc3"><div class="ttname"><a href="classOpenMS_1_1MassTrace.html#a196915535b393a6fb1d2f3a795678fc3">OpenMS::MassTrace::getSmoothedIntensities</a></div><div class="ttdeci">std::vector< DoubleReal > getSmoothedIntensities() const </div><div class="ttdef"><b>Definition:</b> MassTrace.h:243</div></div>
<div class="ttc" id="classOpenMS_1_1MassTrace_html_a77966f940183c35f191fde541e3580e6"><div class="ttname"><a href="classOpenMS_1_1MassTrace.html#a77966f940183c35f191fde541e3580e6">OpenMS::MassTrace::getCentroidMZ</a></div><div class="ttdeci">DoubleReal getCentroidMZ() const </div><div class="ttdef"><b>Definition:</b> MassTrace.h:162</div></div>
<div class="ttc" id="classOpenMS_1_1MassTrace_html_aaf518901ad9aa3ecbed03102883e74f3"><div class="ttname"><a href="classOpenMS_1_1MassTrace.html#aaf518901ad9aa3ecbed03102883e74f3">OpenMS::MassTrace::iterator</a></div><div class="ttdeci">std::vector< PeakType >::iterator iterator</div><div class="ttdef"><b>Definition:</b> MassTrace.h:90</div></div>
<div class="ttc" id="classOpenMS_1_1MassTrace_html_ae9e4be8718b7106fd4f3bfdd9da911fe"><div class="ttname"><a href="classOpenMS_1_1MassTrace.html#ae9e4be8718b7106fd4f3bfdd9da911fe">OpenMS::MassTrace::centroid_sd_</a></div><div class="ttdeci">DoubleReal centroid_sd_</div><div class="ttdoc">intensity-weighted STD </div><div class="ttdef"><b>Definition:</b> MassTrace.h:326</div></div>
<div class="ttc" id="classOpenMS_1_1MassTrace_html_aab0a9eaf0888051e1fa1c7bd9f54d3db"><div class="ttname"><a href="classOpenMS_1_1MassTrace.html#aab0a9eaf0888051e1fa1c7bd9f54d3db">OpenMS::MassTrace::getScanTime</a></div><div class="ttdeci">DoubleReal getScanTime()</div><div class="ttdoc">Get scan time of mass trace. </div><div class="ttdef"><b>Definition:</b> MassTrace.h:260</div></div>
<div class="ttc" id="classOpenMS_1_1MassTrace_html_abe46c495d57a1cc720226a55724058cf"><div class="ttname"><a href="classOpenMS_1_1MassTrace.html#abe46c495d57a1cc720226a55724058cf">OpenMS::MassTrace::setSmoothedIntensities</a></div><div class="ttdeci">void setSmoothedIntensities(const std::vector< DoubleReal > &db_vec)</div><div class="ttdoc">Set smoothed intensities (smoothing is done externally, e.g. by LowessSmoothing). ...</div><div class="ttdef"><b>Definition:</b> MassTrace.h:249</div></div>
<div class="ttc" id="classOpenMS_1_1MassTrace_html_a7550dcd04d1ec539eed203b61a78361d"><div class="ttname"><a href="classOpenMS_1_1MassTrace.html#a7550dcd04d1ec539eed203b61a78361d">OpenMS::MassTrace::reverse_iterator</a></div><div class="ttdeci">std::vector< PeakType >::reverse_iterator reverse_iterator</div><div class="ttdef"><b>Definition:</b> MassTrace.h:92</div></div>
<div class="ttc" id="classOpenMS_1_1MassTrace_html_a2a4b6544a7691c481070a5dd5f821442"><div class="ttname"><a href="classOpenMS_1_1MassTrace.html#a2a4b6544a7691c481070a5dd5f821442">OpenMS::MassTrace::getTraceLength</a></div><div class="ttdeci">DoubleReal getTraceLength()</div><div class="ttdef"><b>Definition:</b> MassTrace.h:203</div></div>
<div class="ttc" id="classOpenMS_1_1MassTrace_html_aa4b02d4f1a8500fb07a551069060709f"><div class="ttname"><a href="classOpenMS_1_1MassTrace.html#aa4b02d4f1a8500fb07a551069060709f">OpenMS::MassTrace::begin</a></div><div class="ttdeci">const_iterator begin() const </div><div class="ttdef"><b>Definition:</b> MassTrace.h:105</div></div>
<div class="ttc" id="classOpenMS_1_1MassTrace_html_ad69bd11391be1a1dba5c8202259664f8"><div class="ttname"><a href="classOpenMS_1_1MassTrace.html#ad69bd11391be1a1dba5c8202259664f8">OpenMS::MassTrace::begin</a></div><div class="ttdeci">iterator begin()</div><div class="ttdef"><b>Definition:</b> MassTrace.h:95</div></div>
<div class="ttc" id="classOpenMS_1_1MassTrace_html_afabf36a79527639f7d68d9b996f681d9"><div class="ttname"><a href="classOpenMS_1_1MassTrace.html#afabf36a79527639f7d68d9b996f681d9">OpenMS::MassTrace::fwhm_end_idx_</a></div><div class="ttdeci">Size fwhm_end_idx_</div><div class="ttdef"><b>Definition:</b> MassTrace.h:343</div></div>
<div class="ttc" id="classOpenMS_1_1MassTrace_html_ae97dfb84fce813336d8b4e6d9ec2f7d4"><div class="ttname"><a href="classOpenMS_1_1MassTrace.html#ae97dfb84fce813336d8b4e6d9ec2f7d4">OpenMS::MassTrace::trace_peaks_</a></div><div class="ttdeci">std::vector< PeakType > trace_peaks_</div><div class="ttdoc">Actual MassTrace container for doing centroid calculation, peak width estimation etc. </div><div class="ttdef"><b>Definition:</b> MassTrace.h:320</div></div>
<div class="ttc" id="classOpenMS_1_1MassTrace_html_a24113ab39b105637cbc2233ba202ce7a"><div class="ttname"><a href="classOpenMS_1_1MassTrace.html#a24113ab39b105637cbc2233ba202ce7a">OpenMS::MassTrace::const_reverse_iterator</a></div><div class="ttdeci">std::vector< PeakType >::const_reverse_iterator const_reverse_iterator</div><div class="ttdef"><b>Definition:</b> MassTrace.h:93</div></div>
<div class="ttc" id="classOpenMS_1_1Exception_1_1InvalidValue_html"><div class="ttname"><a href="classOpenMS_1_1Exception_1_1InvalidValue.html">OpenMS::Exception::InvalidValue</a></div><div class="ttdoc">Invalid value exception. </div><div class="ttdef"><b>Definition:</b> Exception.h:336</div></div>
<div class="ttc" id="classOpenMS_1_1MassTrace_html_a51e428dc5e8eea33a80534fc6fc6faeb"><div class="ttname"><a href="classOpenMS_1_1MassTrace.html#a51e428dc5e8eea33a80534fc6fc6faeb">OpenMS::MassTrace::getCentroidMZ</a></div><div class="ttdeci">DoubleReal getCentroidMZ()</div><div class="ttdoc">Returns the centroid m/z. </div><div class="ttdef"><b>Definition:</b> MassTrace.h:157</div></div>
<div class="ttc" id="classOpenMS_1_1MassTrace_html_ab3c414470d5cea2986cfab7a90146cb6"><div class="ttname"><a href="classOpenMS_1_1MassTrace.html#ab3c414470d5cea2986cfab7a90146cb6">OpenMS::MassTrace::rend</a></div><div class="ttdeci">const_reverse_iterator rend() const </div><div class="ttdef"><b>Definition:</b> MassTrace.h:130</div></div>
<div class="ttc" id="classOpenMS_1_1MassTrace_html_a68c599ddcbfddc65170de524ac165e44"><div class="ttname"><a href="classOpenMS_1_1MassTrace.html#a68c599ddcbfddc65170de524ac165e44">OpenMS::MassTrace::rend</a></div><div class="ttdeci">reverse_iterator rend()</div><div class="ttdef"><b>Definition:</b> MassTrace.h:120</div></div>
<div class="ttc" id="classOpenMS_1_1MassTrace_html_ab6622c26fdc29366b6c6f05986eb345c"><div class="ttname"><a href="classOpenMS_1_1MassTrace.html#ab6622c26fdc29366b6c6f05986eb345c">OpenMS::MassTrace::fwhm_start_idx_</a></div><div class="ttdeci">Size fwhm_start_idx_</div><div class="ttdef"><b>Definition:</b> MassTrace.h:342</div></div>
<div class="ttc" id="group__Concept_html_gaf9ecec2d692138fab9167164a457cbd4"><div class="ttname"><a href="group__Concept.html#gaf9ecec2d692138fab9167164a457cbd4">OpenMS::Size</a></div><div class="ttdeci">size_t Size</div><div class="ttdoc">Size type e.g. used as variable which can hold result of size() </div><div class="ttdef"><b>Definition:</b> Types.h:144</div></div>
<div class="ttc" id="classOpenMS_1_1MassTrace_html_a2026eb8716d1b717960eb10db4384d67"><div class="ttname"><a href="classOpenMS_1_1MassTrace.html#a2026eb8716d1b717960eb10db4384d67">OpenMS::MassTrace::setLabel</a></div><div class="ttdeci">void setLabel(const String &label)</div><div class="ttdoc">Sets label of mass trace. </div><div class="ttdef"><b>Definition:</b> MassTrace.h:151</div></div>
<div class="ttc" id="classOpenMS_1_1MassTrace_html_ae8e11d93aa12179f660ba28a2bb39cc1"><div class="ttname"><a href="classOpenMS_1_1MassTrace.html#ae8e11d93aa12179f660ba28a2bb39cc1">OpenMS::MassTrace::getFWHMborders</a></div><div class="ttdeci">std::pair< Size, Size > getFWHMborders()</div><div class="ttdef"><b>Definition:</b> MassTrace.h:227</div></div>
<div class="ttc" id="classOpenMS_1_1MassTrace_html_ad20a4bfb76715a74114026c1225ab017"><div class="ttname"><a href="classOpenMS_1_1MassTrace.html#ad20a4bfb76715a74114026c1225ab017">OpenMS::MassTrace::getLabel</a></div><div class="ttdeci">String getLabel() const </div><div class="ttdoc">Gets label of mass trace. </div><div class="ttdef"><b>Definition:</b> MassTrace.h:145</div></div>
<div class="ttc" id="classOpenMS_1_1MassTrace_html_a98f13173f168e67da5eedd02ee38a0a5"><div class="ttname"><a href="classOpenMS_1_1MassTrace.html#a98f13173f168e67da5eedd02ee38a0a5">OpenMS::MassTrace::getFWHMborders</a></div><div class="ttdeci">std::pair< Size, Size > getFWHMborders() const </div><div class="ttdef"><b>Definition:</b> MassTrace.h:232</div></div>
<div class="ttc" id="classOpenMS_1_1MassTrace_html_a870d5b61f5e96897738e586452e51d55"><div class="ttname"><a href="classOpenMS_1_1MassTrace.html#a870d5b61f5e96897738e586452e51d55">OpenMS::MassTrace::label_</a></div><div class="ttdeci">String label_</div><div class="ttdoc">Trace label. </div><div class="ttdef"><b>Definition:</b> MassTrace.h:332</div></div>
<div class="ttc" id="classOpenMS_1_1MassTrace_html_af9acc309e872fcfe98669d7f312a9fdb"><div class="ttname"><a href="classOpenMS_1_1MassTrace.html#af9acc309e872fcfe98669d7f312a9fdb">OpenMS::MassTrace::getCentroidRT</a></div><div class="ttdeci">DoubleReal getCentroidRT()</div><div class="ttdoc">Returns the centroid RT. </div><div class="ttdef"><b>Definition:</b> MassTrace.h:168</div></div>
<div class="ttc" id="classOpenMS_1_1MassTrace_html_a8d691bc94466f87bd7af7feee52ee7c2"><div class="ttname"><a href="classOpenMS_1_1MassTrace.html#a8d691bc94466f87bd7af7feee52ee7c2">OpenMS::MassTrace::smoothed_intensities_</a></div><div class="ttdeci">std::vector< DoubleReal > smoothed_intensities_</div><div class="ttdoc">Container for smoothed intensities. Smoothing must be done externally. </div><div class="ttdef"><b>Definition:</b> MassTrace.h:335</div></div>
<div class="ttc" id="classOpenMS_1_1MassTrace_html"><div class="ttname"><a href="classOpenMS_1_1MassTrace.html">OpenMS::MassTrace</a></div><div class="ttdoc">A container type that gathers peaks similar in m/z and moving along retention time. </div><div class="ttdef"><b>Definition:</b> MassTrace.h:59</div></div>
<div class="ttc" id="FeatureMap_8h_html"><div class="ttname"><a href="FeatureMap_8h.html">FeatureMap.h</a></div></div>
<div class="ttc" id="classOpenMS_1_1MassTrace_html_a350132543d80a1c1e5be844e6d2878ea"><div class="ttname"><a href="classOpenMS_1_1MassTrace.html#a350132543d80a1c1e5be844e6d2878ea">OpenMS::MassTrace::end</a></div><div class="ttdeci">const_iterator end() const </div><div class="ttdef"><b>Definition:</b> MassTrace.h:110</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 11:19:16 using doxygen 1.8.5</font></TD>
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