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<a href="LinearResamplerAlign_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>&#160;<span class="comment">// --------------------------------------------------------------------------</span></div>
<div class="line"><a name="l00002"></a><span class="lineno">    2</span>&#160;<span class="comment">//                   OpenMS -- Open-Source Mass Spectrometry               </span></div>
<div class="line"><a name="l00003"></a><span class="lineno">    3</span>&#160;<span class="comment">// --------------------------------------------------------------------------</span></div>
<div class="line"><a name="l00004"></a><span class="lineno">    4</span>&#160;<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>&#160;<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>&#160;<span class="comment">// </span></div>
<div class="line"><a name="l00007"></a><span class="lineno">    7</span>&#160;<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>&#160;<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>&#160;<span class="comment">//    notice, this list of conditions and the following disclaimer.</span></div>
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<div class="line"><a name="l00012"></a><span class="lineno">   12</span>&#160;<span class="comment">//    documentation and/or other materials provided with the distribution.</span></div>
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<div class="line"><a name="l00017"></a><span class="lineno">   17</span>&#160;<span class="comment">// --------------------------------------------------------------------------</span></div>
<div class="line"><a name="l00018"></a><span class="lineno">   18</span>&#160;<span class="comment">// THIS SOFTWARE IS PROVIDED BY THE COPYRIGHT HOLDERS AND CONTRIBUTORS &quot;AS IS&quot;</span></div>
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<div class="line"><a name="l00029"></a><span class="lineno">   29</span>&#160;<span class="comment">// </span></div>
<div class="line"><a name="l00030"></a><span class="lineno">   30</span>&#160;<span class="comment">// --------------------------------------------------------------------------</span></div>
<div class="line"><a name="l00031"></a><span class="lineno">   31</span>&#160;<span class="comment">// $Maintainer: Hannes Roest $</span></div>
<div class="line"><a name="l00032"></a><span class="lineno">   32</span>&#160;<span class="comment">// $Authors: Hannes Roest $</span></div>
<div class="line"><a name="l00033"></a><span class="lineno">   33</span>&#160;<span class="comment">// --------------------------------------------------------------------------</span></div>
<div class="line"><a name="l00034"></a><span class="lineno">   34</span>&#160;</div>
<div class="line"><a name="l00035"></a><span class="lineno">   35</span>&#160;<span class="preprocessor">#ifndef OPENMS_FILTERING_TRANSFORMERS_LINEARRESAMPLERALIGN_H</span></div>
<div class="line"><a name="l00036"></a><span class="lineno">   36</span>&#160;<span class="preprocessor"></span><span class="preprocessor">#define OPENMS_FILTERING_TRANSFORMERS_LINEARRESAMPLERALIGN_H</span></div>
<div class="line"><a name="l00037"></a><span class="lineno">   37</span>&#160;<span class="preprocessor"></span></div>
<div class="line"><a name="l00038"></a><span class="lineno">   38</span>&#160;<span class="preprocessor">#include &lt;<a class="code" href="LinearResampler_8h.html">OpenMS/FILTERING/TRANSFORMERS/LinearResampler.h</a>&gt;</span></div>
<div class="line"><a name="l00039"></a><span class="lineno">   39</span>&#160;</div>
<div class="line"><a name="l00040"></a><span class="lineno">   40</span>&#160;<span class="keyword">namespace </span>OpenMS</div>
<div class="line"><a name="l00041"></a><span class="lineno">   41</span>&#160;{</div>
<div class="line"><a name="l00042"></a><span class="lineno">   42</span>&#160;</div>
<div class="line"><a name="l00058"></a><span class="lineno"><a class="line" href="classOpenMS_1_1LinearResamplerAlign.html">   58</a></span>&#160;  <span class="keyword">class </span><a class="code" href="classOpenMS_1_1LinearResamplerAlign.html">LinearResamplerAlign</a></div>
<div class="line"><a name="l00059"></a><span class="lineno">   59</span>&#160;    : <span class="keyword">public</span> <a class="code" href="classOpenMS_1_1LinearResampler.html">LinearResampler</a></div>
<div class="line"><a name="l00060"></a><span class="lineno">   60</span>&#160;</div>
<div class="line"><a name="l00061"></a><span class="lineno">   61</span>&#160;  {</div>
<div class="line"><a name="l00062"></a><span class="lineno">   62</span>&#160;</div>
<div class="line"><a name="l00063"></a><span class="lineno">   63</span>&#160;<span class="keyword">public</span>:</div>
<div class="line"><a name="l00064"></a><span class="lineno">   64</span>&#160;</div>
<div class="line"><a name="l00068"></a><span class="lineno">   68</span>&#160;  <span class="keyword">template</span> &lt;<span class="keyword">template</span> &lt;<span class="keyword">typename</span>&gt; <span class="keyword">class </span>SpecT, <span class="keyword">typename</span> <a class="code" href="classOpenMS_1_1Peak2D.html">PeakType</a>&gt;</div>
<div class="line"><a name="l00069"></a><span class="lineno"><a class="line" href="classOpenMS_1_1LinearResamplerAlign.html#ac0856b2b1e7528e72df9b2b64c367b72">   69</a></span>&#160;  <span class="keywordtype">void</span> <a class="code" href="classOpenMS_1_1LinearResamplerAlign.html#ac0856b2b1e7528e72df9b2b64c367b72">raster</a>(SpecT&lt;PeakType&gt;&amp; spectrum)</div>
<div class="line"><a name="l00070"></a><span class="lineno">   70</span>&#160;  {</div>
<div class="line"><a name="l00071"></a><span class="lineno">   71</span>&#160;    <span class="comment">//return if nothing to do</span></div>
<div class="line"><a name="l00072"></a><span class="lineno">   72</span>&#160;    <span class="keywordflow">if</span> (spectrum.empty()) <span class="keywordflow">return</span>;</div>
<div class="line"><a name="l00073"></a><span class="lineno">   73</span>&#160;    </div>
<div class="line"><a name="l00074"></a><span class="lineno">   74</span>&#160;    <span class="keyword">typename</span> SpecT&lt;PeakType&gt;::iterator first = spectrum.begin();</div>
<div class="line"><a name="l00075"></a><span class="lineno">   75</span>&#160;    <span class="keyword">typename</span> SpecT&lt;PeakType&gt;::iterator last = spectrum.end();</div>
<div class="line"><a name="l00076"></a><span class="lineno">   76</span>&#160;    </div>
<div class="line"><a name="l00077"></a><span class="lineno">   77</span>&#160;    <span class="keywordtype">double</span> end_pos = (last-1)-&gt;getMZ();</div>
<div class="line"><a name="l00078"></a><span class="lineno">   78</span>&#160;    <span class="keywordtype">double</span> start_pos = first-&gt;getMZ();</div>
<div class="line"><a name="l00079"></a><span class="lineno">   79</span>&#160;    <span class="keywordtype">int</span> number_resampled_points = (int)(ceil((end_pos -start_pos) / <a class="code" href="classOpenMS_1_1LinearResampler.html#a60fac7ec2169fb31ba90ee55df9e2a23">spacing_</a> + 1));</div>
<div class="line"><a name="l00080"></a><span class="lineno">   80</span>&#160;</div>
<div class="line"><a name="l00081"></a><span class="lineno">   81</span>&#160;    <span class="keyword">typename</span> std::vector&lt;PeakType&gt; resampled_peak_container;</div>
<div class="line"><a name="l00082"></a><span class="lineno">   82</span>&#160;    resampled_peak_container.resize(number_resampled_points);</div>
<div class="line"><a name="l00083"></a><span class="lineno">   83</span>&#160;</div>
<div class="line"><a name="l00084"></a><span class="lineno">   84</span>&#160;    <span class="comment">// generate the resampled peaks at positions origin+i*spacing_</span></div>
<div class="line"><a name="l00085"></a><span class="lineno">   85</span>&#160;    <span class="keyword">typename</span> std::vector&lt;PeakType&gt;::iterator it = resampled_peak_container.begin();</div>
<div class="line"><a name="l00086"></a><span class="lineno">   86</span>&#160;    <span class="keywordflow">for</span> (<span class="keywordtype">int</span> i=0; i &lt; number_resampled_points; ++i)</div>
<div class="line"><a name="l00087"></a><span class="lineno">   87</span>&#160;    {</div>
<div class="line"><a name="l00088"></a><span class="lineno">   88</span>&#160;      it-&gt;setMZ( start_pos + i*<a class="code" href="classOpenMS_1_1LinearResampler.html#a60fac7ec2169fb31ba90ee55df9e2a23">spacing_</a>);</div>
<div class="line"><a name="l00089"></a><span class="lineno">   89</span>&#160;      ++it;</div>
<div class="line"><a name="l00090"></a><span class="lineno">   90</span>&#160;    }</div>
<div class="line"><a name="l00091"></a><span class="lineno">   91</span>&#160;</div>
<div class="line"><a name="l00092"></a><span class="lineno">   92</span>&#160;    <a class="code" href="classOpenMS_1_1LinearResamplerAlign.html#ac0856b2b1e7528e72df9b2b64c367b72">raster</a>(spectrum.begin(), spectrum.end(), resampled_peak_container.begin(), resampled_peak_container.end());</div>
<div class="line"><a name="l00093"></a><span class="lineno">   93</span>&#160;    </div>
<div class="line"><a name="l00094"></a><span class="lineno">   94</span>&#160;    resampled_peak_container.swap(spectrum);</div>
<div class="line"><a name="l00095"></a><span class="lineno">   95</span>&#160;  }</div>
<div class="line"><a name="l00096"></a><span class="lineno">   96</span>&#160;</div>
<div class="line"><a name="l00100"></a><span class="lineno">  100</span>&#160;  <span class="keyword">template</span> &lt;<span class="keyword">template</span> &lt;<span class="keyword">typename</span>&gt; <span class="keyword">class </span>SpecT, <span class="keyword">typename</span> <a class="code" href="classOpenMS_1_1Peak2D.html">PeakType</a>&gt;</div>
<div class="line"><a name="l00101"></a><span class="lineno"><a class="line" href="classOpenMS_1_1LinearResamplerAlign.html#af797844f93322867447bc34e956ac93a">  101</a></span>&#160;  <span class="keywordtype">void</span> <a class="code" href="classOpenMS_1_1LinearResamplerAlign.html#af797844f93322867447bc34e956ac93a">raster_align</a>(SpecT&lt;PeakType&gt;&amp; spectrum, <span class="keywordtype">double</span> start_pos, <span class="keywordtype">double</span> end_pos)</div>
<div class="line"><a name="l00102"></a><span class="lineno">  102</span>&#160;  {</div>
<div class="line"><a name="l00103"></a><span class="lineno">  103</span>&#160;    <span class="comment">//return if nothing to do</span></div>
<div class="line"><a name="l00104"></a><span class="lineno">  104</span>&#160;    <span class="keywordflow">if</span> (spectrum.empty()) <span class="keywordflow">return</span>;</div>
<div class="line"><a name="l00105"></a><span class="lineno">  105</span>&#160;    <span class="keywordflow">if</span> (end_pos &lt; start_pos)</div>
<div class="line"><a name="l00106"></a><span class="lineno">  106</span>&#160;    {</div>
<div class="line"><a name="l00107"></a><span class="lineno">  107</span>&#160;      SpecT&lt;PeakType&gt; empty;</div>
<div class="line"><a name="l00108"></a><span class="lineno">  108</span>&#160;      empty.swap(spectrum);</div>
<div class="line"><a name="l00109"></a><span class="lineno">  109</span>&#160;      <span class="keywordflow">return</span>;</div>
<div class="line"><a name="l00110"></a><span class="lineno">  110</span>&#160;    }</div>
<div class="line"><a name="l00111"></a><span class="lineno">  111</span>&#160;    </div>
<div class="line"><a name="l00112"></a><span class="lineno">  112</span>&#160;    <span class="keyword">typename</span> SpecT&lt;PeakType&gt;::iterator first = spectrum.begin();</div>
<div class="line"><a name="l00113"></a><span class="lineno">  113</span>&#160;    <span class="keyword">typename</span> SpecT&lt;PeakType&gt;::iterator last = spectrum.end();</div>
<div class="line"><a name="l00114"></a><span class="lineno">  114</span>&#160;</div>
<div class="line"><a name="l00115"></a><span class="lineno">  115</span>&#160;    <span class="comment">// get the iterators just before / after the two points start_pos / end_pos</span></div>
<div class="line"><a name="l00116"></a><span class="lineno">  116</span>&#160;    <span class="keywordflow">while</span> (first != spectrum.end() &amp;&amp; (first)-&gt;getMZ() &lt; start_pos) {++first;}</div>
<div class="line"><a name="l00117"></a><span class="lineno">  117</span>&#160;    <span class="keywordflow">while</span> (last != first &amp;&amp; (last-1)-&gt;getMZ() &gt; end_pos) {--last;}</div>
<div class="line"><a name="l00118"></a><span class="lineno">  118</span>&#160;</div>
<div class="line"><a name="l00119"></a><span class="lineno">  119</span>&#160;    <span class="keywordtype">int</span> number_resampled_points = (int)(ceil((end_pos -start_pos) / <a class="code" href="classOpenMS_1_1LinearResampler.html#a60fac7ec2169fb31ba90ee55df9e2a23">spacing_</a> + 1));</div>
<div class="line"><a name="l00120"></a><span class="lineno">  120</span>&#160;</div>
<div class="line"><a name="l00121"></a><span class="lineno">  121</span>&#160;    <span class="keyword">typename</span> std::vector&lt;PeakType&gt; resampled_peak_container;</div>
<div class="line"><a name="l00122"></a><span class="lineno">  122</span>&#160;    resampled_peak_container.resize(number_resampled_points);</div>
<div class="line"><a name="l00123"></a><span class="lineno">  123</span>&#160;</div>
<div class="line"><a name="l00124"></a><span class="lineno">  124</span>&#160;    <span class="comment">// generate the resampled peaks at positions origin+i*spacing_</span></div>
<div class="line"><a name="l00125"></a><span class="lineno">  125</span>&#160;    <span class="keyword">typename</span> std::vector&lt;PeakType&gt;::iterator it = resampled_peak_container.begin();</div>
<div class="line"><a name="l00126"></a><span class="lineno">  126</span>&#160;    <span class="keywordflow">for</span> (<span class="keywordtype">int</span> i=0; i &lt; number_resampled_points; ++i)</div>
<div class="line"><a name="l00127"></a><span class="lineno">  127</span>&#160;    {</div>
<div class="line"><a name="l00128"></a><span class="lineno">  128</span>&#160;        it-&gt;setMZ( start_pos + i*<a class="code" href="classOpenMS_1_1LinearResampler.html#a60fac7ec2169fb31ba90ee55df9e2a23">spacing_</a>);</div>
<div class="line"><a name="l00129"></a><span class="lineno">  129</span>&#160;        ++it;</div>
<div class="line"><a name="l00130"></a><span class="lineno">  130</span>&#160;    }</div>
<div class="line"><a name="l00131"></a><span class="lineno">  131</span>&#160;</div>
<div class="line"><a name="l00132"></a><span class="lineno">  132</span>&#160;    <a class="code" href="classOpenMS_1_1LinearResamplerAlign.html#ac0856b2b1e7528e72df9b2b64c367b72">raster</a>(first, last, resampled_peak_container.begin(), resampled_peak_container.end());</div>
<div class="line"><a name="l00133"></a><span class="lineno">  133</span>&#160;    </div>
<div class="line"><a name="l00134"></a><span class="lineno">  134</span>&#160;    resampled_peak_container.swap(spectrum);</div>
<div class="line"><a name="l00135"></a><span class="lineno">  135</span>&#160;  }</div>
<div class="line"><a name="l00136"></a><span class="lineno">  136</span>&#160;</div>
<div class="line"><a name="l00140"></a><span class="lineno">  140</span>&#160;  <span class="keyword">template</span> &lt; <span class="keyword">typename</span> PeakTypeIterator, <span class="keyword">typename</span> ConstPeakTypeIterator&gt;</div>
<div class="line"><a name="l00141"></a><span class="lineno"><a class="line" href="classOpenMS_1_1LinearResamplerAlign.html#aa2d5d79fc3312309c83e0ebb7d38801a">  141</a></span>&#160;  <span class="keywordtype">void</span> <a class="code" href="classOpenMS_1_1LinearResamplerAlign.html#aa2d5d79fc3312309c83e0ebb7d38801a">raster</a>(ConstPeakTypeIterator raw_it, ConstPeakTypeIterator raw_end, PeakTypeIterator resample_it, PeakTypeIterator resample_end)</div>
<div class="line"><a name="l00142"></a><span class="lineno">  142</span>&#160;  {</div>
<div class="line"><a name="l00143"></a><span class="lineno">  143</span>&#160;    PeakTypeIterator resample_start = resample_it;</div>
<div class="line"><a name="l00144"></a><span class="lineno">  144</span>&#160;</div>
<div class="line"><a name="l00145"></a><span class="lineno">  145</span>&#160;    <span class="comment">// need to get the raw iterator between two resampled iterators of the raw data</span></div>
<div class="line"><a name="l00146"></a><span class="lineno">  146</span>&#160;    <span class="keywordflow">while</span>(raw_it != raw_end &amp;&amp; raw_it-&gt;getMZ() &lt; resample_it-&gt;getMZ())</div>
<div class="line"><a name="l00147"></a><span class="lineno">  147</span>&#160;    {</div>
<div class="line"><a name="l00148"></a><span class="lineno">  148</span>&#160;      resample_it-&gt;setIntensity( resample_it-&gt;getIntensity() + raw_it-&gt;getIntensity() );</div>
<div class="line"><a name="l00149"></a><span class="lineno">  149</span>&#160;      raw_it++;</div>
<div class="line"><a name="l00150"></a><span class="lineno">  150</span>&#160;    } </div>
<div class="line"><a name="l00151"></a><span class="lineno">  151</span>&#160;</div>
<div class="line"><a name="l00152"></a><span class="lineno">  152</span>&#160;    <span class="keywordflow">while</span>(raw_it != raw_end)</div>
<div class="line"><a name="l00153"></a><span class="lineno">  153</span>&#160;    {</div>
<div class="line"><a name="l00154"></a><span class="lineno">  154</span>&#160;      <span class="comment">//advance the resample iterator until our raw point is between two resampled iterators </span></div>
<div class="line"><a name="l00155"></a><span class="lineno">  155</span>&#160;      <span class="keywordflow">while</span>(resample_it != resample_end &amp;&amp; resample_it-&gt;getMZ() &lt; raw_it-&gt;getMZ()) {resample_it++;} </div>
<div class="line"><a name="l00156"></a><span class="lineno">  156</span>&#160;      <span class="keywordflow">if</span> (resample_it != resample_start) {resample_it--;}</div>
<div class="line"><a name="l00157"></a><span class="lineno">  157</span>&#160;</div>
<div class="line"><a name="l00158"></a><span class="lineno">  158</span>&#160;      <span class="comment">// if we have the last datapoint we break</span></div>
<div class="line"><a name="l00159"></a><span class="lineno">  159</span>&#160;      <span class="keywordflow">if</span> ((resample_it+1) == resample_end) {<span class="keywordflow">break</span>;}</div>
<div class="line"><a name="l00160"></a><span class="lineno">  160</span>&#160;</div>
<div class="line"><a name="l00161"></a><span class="lineno">  161</span>&#160;      <span class="keywordtype">double</span> dist_left =  fabs(raw_it-&gt;getMZ() - resample_it-&gt;getMZ());</div>
<div class="line"><a name="l00162"></a><span class="lineno">  162</span>&#160;      <span class="keywordtype">double</span> dist_right = fabs(raw_it-&gt;getMZ() - (resample_it+1)-&gt;getMZ());</div>
<div class="line"><a name="l00163"></a><span class="lineno">  163</span>&#160;</div>
<div class="line"><a name="l00164"></a><span class="lineno">  164</span>&#160;      <span class="comment">// distribute the intensity of the raw point according to the distance to resample_it and resample_it+1</span></div>
<div class="line"><a name="l00165"></a><span class="lineno">  165</span>&#160;      resample_it-&gt;setIntensity(resample_it-&gt;getIntensity() + raw_it-&gt;getIntensity() * dist_right / (dist_left+dist_right));</div>
<div class="line"><a name="l00166"></a><span class="lineno">  166</span>&#160;      (resample_it+1)-&gt;setIntensity((resample_it+1)-&gt;getIntensity() + raw_it-&gt;getIntensity() * dist_left / (dist_left+dist_right));</div>
<div class="line"><a name="l00167"></a><span class="lineno">  167</span>&#160;</div>
<div class="line"><a name="l00168"></a><span class="lineno">  168</span>&#160;      raw_it++;</div>
<div class="line"><a name="l00169"></a><span class="lineno">  169</span>&#160;    }</div>
<div class="line"><a name="l00170"></a><span class="lineno">  170</span>&#160;</div>
<div class="line"><a name="l00171"></a><span class="lineno">  171</span>&#160;    <span class="comment">// add the final intensity to the right</span></div>
<div class="line"><a name="l00172"></a><span class="lineno">  172</span>&#160;    <span class="keywordflow">while</span>(raw_it != raw_end) </div>
<div class="line"><a name="l00173"></a><span class="lineno">  173</span>&#160;    {</div>
<div class="line"><a name="l00174"></a><span class="lineno">  174</span>&#160;      resample_it-&gt;setIntensity( resample_it-&gt;getIntensity() + raw_it-&gt;getIntensity() );</div>
<div class="line"><a name="l00175"></a><span class="lineno">  175</span>&#160;      raw_it++;</div>
<div class="line"><a name="l00176"></a><span class="lineno">  176</span>&#160;    } </div>
<div class="line"><a name="l00177"></a><span class="lineno">  177</span>&#160;  }</div>
<div class="line"><a name="l00178"></a><span class="lineno">  178</span>&#160;</div>
<div class="line"><a name="l00182"></a><span class="lineno">  182</span>&#160;  <span class="keyword">template</span> &lt; <span class="keyword">typename</span> PeakTypeIterator&gt;</div>
<div class="line"><a name="l00183"></a><span class="lineno"><a class="line" href="classOpenMS_1_1LinearResamplerAlign.html#a3854ad11b8910149c8010a326994bba8">  183</a></span>&#160;  <span class="keywordtype">void</span> <a class="code" href="classOpenMS_1_1LinearResamplerAlign.html#a3854ad11b8910149c8010a326994bba8">raster_interpolate</a>(PeakTypeIterator raw_it, PeakTypeIterator raw_end, PeakTypeIterator it, PeakTypeIterator resampled_end)</div>
<div class="line"><a name="l00184"></a><span class="lineno">  184</span>&#160;  {</div>
<div class="line"><a name="l00185"></a><span class="lineno">  185</span>&#160;    PeakTypeIterator raw_start = raw_it;</div>
<div class="line"><a name="l00186"></a><span class="lineno">  186</span>&#160;</div>
<div class="line"><a name="l00187"></a><span class="lineno">  187</span>&#160;    <span class="comment">// need to get the resampled iterator between two iterators of the raw data</span></div>
<div class="line"><a name="l00188"></a><span class="lineno">  188</span>&#160;    <span class="keywordflow">while</span>(it != resampled_end &amp;&amp; it-&gt;getMZ() &lt; raw_it-&gt;getMZ()) {it++;} </div>
<div class="line"><a name="l00189"></a><span class="lineno">  189</span>&#160;</div>
<div class="line"><a name="l00190"></a><span class="lineno">  190</span>&#160;    <span class="keywordflow">while</span>(it != resampled_end)</div>
<div class="line"><a name="l00191"></a><span class="lineno">  191</span>&#160;    {</div>
<div class="line"><a name="l00192"></a><span class="lineno">  192</span>&#160;      <span class="comment">//advance the raw_iterator until our current point we want to interpolate is between them</span></div>
<div class="line"><a name="l00193"></a><span class="lineno">  193</span>&#160;      <span class="keywordflow">while</span>(raw_it != raw_end &amp;&amp; raw_it-&gt;getMZ() &lt; it-&gt;getMZ() ) {raw_it++;} </div>
<div class="line"><a name="l00194"></a><span class="lineno">  194</span>&#160;      <span class="keywordflow">if</span> (raw_it != raw_start) {raw_it--;}</div>
<div class="line"><a name="l00195"></a><span class="lineno">  195</span>&#160;</div>
<div class="line"><a name="l00196"></a><span class="lineno">  196</span>&#160;      <span class="comment">// if we have the last datapoint we break</span></div>
<div class="line"><a name="l00197"></a><span class="lineno">  197</span>&#160;      <span class="keywordflow">if</span> ((raw_it+1) == raw_end) {<span class="keywordflow">break</span>;}</div>
<div class="line"><a name="l00198"></a><span class="lineno">  198</span>&#160;</div>
<div class="line"><a name="l00199"></a><span class="lineno">  199</span>&#160;      <span class="comment">// use a linear interpolation between raw_it and raw_it+1</span></div>
<div class="line"><a name="l00200"></a><span class="lineno">  200</span>&#160;      <span class="keywordtype">double</span> m = ((raw_it+1)-&gt;getIntensity() - raw_it-&gt;getIntensity() ) / ((raw_it+1)-&gt;getMZ() - raw_it-&gt;getMZ() );</div>
<div class="line"><a name="l00201"></a><span class="lineno">  201</span>&#160;      it-&gt;setIntensity( raw_it-&gt;getIntensity() + (it-&gt;getMZ() - raw_it-&gt;getMZ())*m );</div>
<div class="line"><a name="l00202"></a><span class="lineno">  202</span>&#160;      it++;</div>
<div class="line"><a name="l00203"></a><span class="lineno">  203</span>&#160;    }</div>
<div class="line"><a name="l00204"></a><span class="lineno">  204</span>&#160;</div>
<div class="line"><a name="l00205"></a><span class="lineno">  205</span>&#160;  }</div>
<div class="line"><a name="l00206"></a><span class="lineno">  206</span>&#160;</div>
<div class="line"><a name="l00207"></a><span class="lineno">  207</span>&#160;  };</div>
<div class="line"><a name="l00208"></a><span class="lineno">  208</span>&#160;</div>
<div class="line"><a name="l00209"></a><span class="lineno">  209</span>&#160;}</div>
<div class="line"><a name="l00210"></a><span class="lineno">  210</span>&#160;</div>
<div class="line"><a name="l00211"></a><span class="lineno">  211</span>&#160;<span class="preprocessor">#endif</span></div>
<div class="ttc" id="classOpenMS_1_1LinearResamplerAlign_html_ac0856b2b1e7528e72df9b2b64c367b72"><div class="ttname"><a href="classOpenMS_1_1LinearResamplerAlign.html#ac0856b2b1e7528e72df9b2b64c367b72">OpenMS::LinearResamplerAlign::raster</a></div><div class="ttdeci">void raster(SpecT&lt; PeakType &gt; &amp;spectrum)</div><div class="ttdoc">Applies the resampling algorithm to an MSSpectrum. </div><div class="ttdef"><b>Definition:</b> LinearResamplerAlign.h:69</div></div>
<div class="ttc" id="classOpenMS_1_1LinearResampler_html"><div class="ttname"><a href="classOpenMS_1_1LinearResampler.html">OpenMS::LinearResampler</a></div><div class="ttdoc">Linear Resampling of raw data. </div><div class="ttdef"><b>Definition:</b> LinearResampler.h:61</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_1LinearResamplerAlign_html_af797844f93322867447bc34e956ac93a"><div class="ttname"><a href="classOpenMS_1_1LinearResamplerAlign.html#af797844f93322867447bc34e956ac93a">OpenMS::LinearResamplerAlign::raster_align</a></div><div class="ttdeci">void raster_align(SpecT&lt; PeakType &gt; &amp;spectrum, double start_pos, double end_pos)</div><div class="ttdoc">Applies the resampling algorithm to an MSSpectrum but it will be aligned between start_pos and end_po...</div><div class="ttdef"><b>Definition:</b> LinearResamplerAlign.h:101</div></div>
<div class="ttc" id="classOpenMS_1_1LinearResamplerAlign_html"><div class="ttname"><a href="classOpenMS_1_1LinearResamplerAlign.html">OpenMS::LinearResamplerAlign</a></div><div class="ttdoc">Linear Resampling of raw data with alignment. </div><div class="ttdef"><b>Definition:</b> LinearResamplerAlign.h:58</div></div>
<div class="ttc" id="classOpenMS_1_1LinearResamplerAlign_html_aa2d5d79fc3312309c83e0ebb7d38801a"><div class="ttname"><a href="classOpenMS_1_1LinearResamplerAlign.html#aa2d5d79fc3312309c83e0ebb7d38801a">OpenMS::LinearResamplerAlign::raster</a></div><div class="ttdeci">void raster(ConstPeakTypeIterator raw_it, ConstPeakTypeIterator raw_end, PeakTypeIterator resample_it, PeakTypeIterator resample_end)</div><div class="ttdoc">Applies the resampling algorithm to an MSSpectrum. </div><div class="ttdef"><b>Definition:</b> LinearResamplerAlign.h:141</div></div>
<div class="ttc" id="classOpenMS_1_1LinearResampler_html_a60fac7ec2169fb31ba90ee55df9e2a23"><div class="ttname"><a href="classOpenMS_1_1LinearResampler.html#a60fac7ec2169fb31ba90ee55df9e2a23">OpenMS::LinearResampler::spacing_</a></div><div class="ttdeci">double spacing_</div><div class="ttdoc">Spacing of the resampled data. </div><div class="ttdef"><b>Definition:</b> LinearResampler.h:162</div></div>
<div class="ttc" id="classOpenMS_1_1LinearResamplerAlign_html_a3854ad11b8910149c8010a326994bba8"><div class="ttname"><a href="classOpenMS_1_1LinearResamplerAlign.html#a3854ad11b8910149c8010a326994bba8">OpenMS::LinearResamplerAlign::raster_interpolate</a></div><div class="ttdeci">void raster_interpolate(PeakTypeIterator raw_it, PeakTypeIterator raw_end, PeakTypeIterator it, PeakTypeIterator resampled_end)</div><div class="ttdoc">Applies the resampling algorithm using a linear interpolation. </div><div class="ttdef"><b>Definition:</b> LinearResamplerAlign.h:183</div></div>
<div class="ttc" id="LinearResampler_8h_html"><div class="ttname"><a href="LinearResampler_8h.html">LinearResampler.h</a></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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