File: FeatureFinderAlgorithmPickedHelperStructs_8h_source.html

package info (click to toggle)
openms 1.11.1-5
  • links: PTS, VCS
  • area: main
  • in suites: jessie, jessie-kfreebsd
  • size: 436,688 kB
  • ctags: 150,907
  • sloc: cpp: 387,126; xml: 71,547; python: 7,764; ansic: 2,626; php: 2,499; sql: 737; ruby: 342; sh: 325; makefile: 128
file content (357 lines) | stat: -rw-r--r-- 76,647 bytes parent folder | download 
1
2
3
4
5
6
7
8
9
10
11
12
13
14
15
16
17
18
19
20
21
22
23
24
25
26
27
28
29
30
31
32
33
34
35
36
37
38
39
40
41
42
43
44
45
46
47
48
49
50
51
52
53
54
55
56
57
58
59
60
61
62
63
64
65
66
67
68
69
70
71
72
73
74
75
76
77
78
79
80
81
82
83
84
85
86
87
88
89
90
91
92
93
94
95
96
97
98
99
100
101
102
103
104
105
106
107
108
109
110
111
112
113
114
115
116
117
118
119
120
121
122
123
124
125
126
127
128
129
130
131
132
133
134
135
136
137
138
139
140
141
142
143
144
145
146
147
148
149
150
151
152
153
154
155
156
157
158
159
160
161
162
163
164
165
166
167
168
169
170
171
172
173
174
175
176
177
178
179
180
181
182
183
184
185
186
187
188
189
190
191
192
193
194
195
196
197
198
199
200
201
202
203
204
205
206
207
208
209
210
211
212
213
214
215
216
217
218
219
220
221
222
223
224
225
226
227
228
229
230
231
232
233
234
235
236
237
238
239
240
241
242
243
244
245
246
247
248
249
250
251
252
253
254
255
256
257
258
259
260
261
262
263
264
265
266
267
268
269
270
271
272
273
274
275
276
277
278
279
280
281
282
283
284
285
286
287
288
289
290
291
292
293
294
295
296
297
298
299
300
301
302
303
304
305
306
307
308
309
310
311
312
313
314
315
316
317
318
319
320
321
322
323
324
325
326
327
328
329
330
331
332
333
334
335
336
337
338
339
340
341
342
343
344
345
346
347
348
349
350
351
352
353
354
355
356
357
 
<HTML>
<HEAD>
<TITLE>FeatureFinderAlgorithmPickedHelperStructs.h Source File</TITLE>
<LINK HREF="doxygen.css" REL="stylesheet" TYPE="text/css">
<LINK HREF="style_ini.css" REL="stylesheet" TYPE="text/css">
</HEAD>
<BODY BGCOLOR="#FFFFFF">
<A href="index.html">Home</A> &nbsp;&middot;
<A href="classes.html">Classes</A> &nbsp;&middot;
<A href="annotated.html">Annotated Classes</A> &nbsp;&middot;
<A href="modules.html">Modules</A> &nbsp;&middot;
<A href="functions_func.html">Members</A> &nbsp;&middot;
<A href="namespaces.html">Namespaces</A> &nbsp;&middot;
<A href="pages.html">Related Pages</A>
<HR style="height:1px; border:none; border-top:1px solid #c0c0c0;">
<!-- Generated by Doxygen 1.8.5 -->
<div id="nav-path" class="navpath">
  <ul>
<li class="navelem"><a class="el" href="dir_e770f0cf77e550adde3f44739ef529fe.html">include</a></li><li class="navelem"><a class="el" href="dir_6a63c4937d4da007e55fff5dcf71e0f8.html">OpenMS</a></li><li class="navelem"><a class="el" href="dir_9f700962877a340cb515a8f4e78fa50c.html">TRANSFORMATIONS</a></li><li class="navelem"><a class="el" href="dir_37e9c1b52d0b253b62f883ccdf65930c.html">FEATUREFINDER</a></li>  </ul>
</div>
</div><!-- top -->
<div class="header">
  <div class="headertitle">
<div class="title">FeatureFinderAlgorithmPickedHelperStructs.h</div>  </div>
</div><!--header-->
<div class="contents">
<a href="FeatureFinderAlgorithmPickedHelperStructs_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>
<div class="line"><a name="l00010"></a><span class="lineno">   10</span>&#160;<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>&#160;<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>&#160;<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>&#160;<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>&#160;<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>&#160;<span class="comment">//    without specific prior written permission.</span></div>
<div class="line"><a name="l00016"></a><span class="lineno">   16</span>&#160;<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>&#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>
<div class="line"><a name="l00019"></a><span class="lineno">   19</span>&#160;<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>&#160;<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>&#160;<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>&#160;<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>&#160;<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>&#160;<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>&#160;<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>&#160;<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>&#160;<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>&#160;<span class="comment">// ADVISED OF THE POSSIBILITY OF SUCH DAMAGE.</span></div>
<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: Stephan Aiche $</span></div>
<div class="line"><a name="l00032"></a><span class="lineno">   32</span>&#160;<span class="comment">// $Authors: Marc Sturm, Stephan Aiche $</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_TRANSFORMATIONS_FEATUREFINDER_FEATUREFINDERALGORITHMPICKEDHELPERSTRUCTS_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_TRANSFORMATIONS_FEATUREFINDER_FEATUREFINDERALGORITHMPICKEDHELPERSTRUCTS_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="Types_8h.html">OpenMS/CONCEPT/Types.h</a>&gt;</span></div>
<div class="line"><a name="l00039"></a><span class="lineno">   39</span>&#160;<span class="preprocessor">#include &lt;<a class="code" href="Exception_8h.html">OpenMS/CONCEPT/Exception.h</a>&gt;</span></div>
<div class="line"><a name="l00040"></a><span class="lineno">   40</span>&#160;</div>
<div class="line"><a name="l00041"></a><span class="lineno">   41</span>&#160;<span class="preprocessor">#include &lt;<a class="code" href="String_8h.html">OpenMS/DATASTRUCTURES/String.h</a>&gt;</span></div>
<div class="line"><a name="l00042"></a><span class="lineno">   42</span>&#160;<span class="preprocessor">#include &lt;<a class="code" href="StringList_8h.html">OpenMS/DATASTRUCTURES/StringList.h</a>&gt;</span></div>
<div class="line"><a name="l00043"></a><span class="lineno">   43</span>&#160;<span class="preprocessor">#include &lt;<a class="code" href="ConvexHull2D_8h.html">OpenMS/DATASTRUCTURES/ConvexHull2D.h</a>&gt;</span></div>
<div class="line"><a name="l00044"></a><span class="lineno">   44</span>&#160;</div>
<div class="line"><a name="l00045"></a><span class="lineno">   45</span>&#160;<span class="preprocessor">#include &lt;vector&gt;</span></div>
<div class="line"><a name="l00046"></a><span class="lineno">   46</span>&#160;</div>
<div class="line"><a name="l00047"></a><span class="lineno">   47</span>&#160;<span class="keyword">namespace </span>OpenMS</div>
<div class="line"><a name="l00048"></a><span class="lineno">   48</span>&#160;{</div>
<div class="line"><a name="l00049"></a><span class="lineno">   49</span>&#160;</div>
<div class="line"><a name="l00056"></a><span class="lineno"><a class="line" href="structOpenMS_1_1FeatureFinderAlgorithmPickedHelperStructs.html">   56</a></span>&#160;  <span class="keyword">struct </span>OPENMS_DLLAPI <a class="code" href="structOpenMS_1_1FeatureFinderAlgorithmPickedHelperStructs.html">FeatureFinderAlgorithmPickedHelperStructs</a></div>
<div class="line"><a name="l00057"></a><span class="lineno">   57</span>&#160;  {</div>
<div class="line"><a name="l00058"></a><span class="lineno">   58</span>&#160;</div>
<div class="line"><a name="l00062"></a><span class="lineno"><a class="line" href="structOpenMS_1_1FeatureFinderAlgorithmPickedHelperStructs_1_1Seed.html">   62</a></span>&#160;    <span class="keyword">struct </span>OPENMS_DLLAPI <a class="code" href="structOpenMS_1_1FeatureFinderAlgorithmPickedHelperStructs_1_1Seed.html">Seed</a></div>
<div class="line"><a name="l00063"></a><span class="lineno">   63</span>&#160;    {</div>
<div class="line"><a name="l00065"></a><span class="lineno"><a class="line" href="structOpenMS_1_1FeatureFinderAlgorithmPickedHelperStructs_1_1Seed.html#ae90f6d024629703c9ba0dbd5eb5ef4b2">   65</a></span>&#160;      <a class="code" href="group__Concept.html#gaf9ecec2d692138fab9167164a457cbd4">Size</a> <a class="code" href="structOpenMS_1_1FeatureFinderAlgorithmPickedHelperStructs_1_1Seed.html#ae90f6d024629703c9ba0dbd5eb5ef4b2">spectrum</a>;</div>
<div class="line"><a name="l00067"></a><span class="lineno"><a class="line" href="structOpenMS_1_1FeatureFinderAlgorithmPickedHelperStructs_1_1Seed.html#af40104dc784144260a2345e53e5f0305">   67</a></span>&#160;      <a class="code" href="group__Concept.html#gaf9ecec2d692138fab9167164a457cbd4">Size</a> <a class="code" href="structOpenMS_1_1FeatureFinderAlgorithmPickedHelperStructs_1_1Seed.html#af40104dc784144260a2345e53e5f0305">peak</a>;</div>
<div class="line"><a name="l00069"></a><span class="lineno"><a class="line" href="structOpenMS_1_1FeatureFinderAlgorithmPickedHelperStructs_1_1Seed.html#a2bf8eeb17dafb3d8ed1b08810fba2440">   69</a></span>&#160;      <a class="code" href="group__Concept.html#gab685845059e8a2c92743427d9a698c70">Real</a> <a class="code" href="structOpenMS_1_1FeatureFinderAlgorithmPickedHelperStructs_1_1Seed.html#a2bf8eeb17dafb3d8ed1b08810fba2440">intensity</a>;</div>
<div class="line"><a name="l00070"></a><span class="lineno">   70</span>&#160;</div>
<div class="line"><a name="l00072"></a><span class="lineno"><a class="line" href="structOpenMS_1_1FeatureFinderAlgorithmPickedHelperStructs_1_1Seed.html#a9deb122e0f8be3e6d8ca737ad7a7264a">   72</a></span>&#160;      <span class="keywordtype">bool</span> <a class="code" href="structOpenMS_1_1FeatureFinderAlgorithmPickedHelperStructs_1_1Seed.html#a9deb122e0f8be3e6d8ca737ad7a7264a">operator&lt;</a>(<span class="keyword">const</span> <a class="code" href="structOpenMS_1_1FeatureFinderAlgorithmPickedHelperStructs_1_1Seed.html">Seed</a> &amp; rhs)<span class="keyword"> const</span></div>
<div class="line"><a name="l00073"></a><span class="lineno">   73</span>&#160;<span class="keyword">      </span>{</div>
<div class="line"><a name="l00074"></a><span class="lineno">   74</span>&#160;        <span class="keywordflow">return</span> intensity &lt; rhs.<a class="code" href="structOpenMS_1_1FeatureFinderAlgorithmPickedHelperStructs_1_1Seed.html#a2bf8eeb17dafb3d8ed1b08810fba2440">intensity</a>;</div>
<div class="line"><a name="l00075"></a><span class="lineno">   75</span>&#160;      }</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;    };</div>
<div class="line"><a name="l00078"></a><span class="lineno">   78</span>&#160;</div>
<div class="line"><a name="l00082"></a><span class="lineno">   82</span>&#160;    <span class="keyword">template</span> &lt;<span class="keyword">class</span> PeakType&gt;</div>
<div class="line"><a name="l00083"></a><span class="lineno"><a class="line" href="structOpenMS_1_1FeatureFinderAlgorithmPickedHelperStructs_1_1MassTrace.html">   83</a></span>&#160;    <span class="keyword">struct </span><a class="code" href="structOpenMS_1_1FeatureFinderAlgorithmPickedHelperStructs_1_1MassTrace.html">MassTrace</a></div>
<div class="line"><a name="l00084"></a><span class="lineno">   84</span>&#160;    {</div>
<div class="line"><a name="l00086"></a><span class="lineno"><a class="line" href="structOpenMS_1_1FeatureFinderAlgorithmPickedHelperStructs_1_1MassTrace.html#a5b4f59cd6190bad20c6cd235e77b34f6">   86</a></span>&#160;      <span class="keyword">const</span> <a class="code" href="classOpenMS_1_1Peak2D.html">PeakType</a> * <a class="code" href="structOpenMS_1_1FeatureFinderAlgorithmPickedHelperStructs_1_1MassTrace.html#a5b4f59cd6190bad20c6cd235e77b34f6">max_peak</a>;</div>
<div class="line"><a name="l00088"></a><span class="lineno"><a class="line" href="structOpenMS_1_1FeatureFinderAlgorithmPickedHelperStructs_1_1MassTrace.html#a939a68c9800eb2c9017f45c93f913c89">   88</a></span>&#160;      <a class="code" href="classdouble.html">DoubleReal</a> <a class="code" href="structOpenMS_1_1FeatureFinderAlgorithmPickedHelperStructs_1_1MassTrace.html#a939a68c9800eb2c9017f45c93f913c89">max_rt</a>;</div>
<div class="line"><a name="l00089"></a><span class="lineno">   89</span>&#160;</div>
<div class="line"><a name="l00091"></a><span class="lineno"><a class="line" href="structOpenMS_1_1FeatureFinderAlgorithmPickedHelperStructs_1_1MassTrace.html#a7db81fa54d4743c867872ac5b0938247">   91</a></span>&#160;      <a class="code" href="classdouble.html">DoubleReal</a> <a class="code" href="structOpenMS_1_1FeatureFinderAlgorithmPickedHelperStructs_1_1MassTrace.html#a7db81fa54d4743c867872ac5b0938247">theoretical_int</a>;</div>
<div class="line"><a name="l00092"></a><span class="lineno">   92</span>&#160;</div>
<div class="line"><a name="l00094"></a><span class="lineno"><a class="line" href="structOpenMS_1_1FeatureFinderAlgorithmPickedHelperStructs_1_1MassTrace.html#a45696e11061da82e7cfd8a0ee88f5d8e">   94</a></span>&#160;      std::vector&lt;std::pair&lt;DoubleReal, const PeakType *&gt; &gt; <a class="code" href="structOpenMS_1_1FeatureFinderAlgorithmPickedHelperStructs_1_1MassTrace.html#a45696e11061da82e7cfd8a0ee88f5d8e">peaks</a>;</div>
<div class="line"><a name="l00095"></a><span class="lineno">   95</span>&#160;</div>
<div class="line"><a name="l00097"></a><span class="lineno"><a class="line" href="structOpenMS_1_1FeatureFinderAlgorithmPickedHelperStructs_1_1MassTrace.html#a4e03424081001803c857e174edc57ebe">   97</a></span>&#160;      <a class="code" href="classOpenMS_1_1ConvexHull2D.html">ConvexHull2D</a> <a class="code" href="structOpenMS_1_1FeatureFinderAlgorithmPickedHelperStructs_1_1MassTrace.html#a4e03424081001803c857e174edc57ebe">getConvexhull</a>()<span class="keyword"> const</span></div>
<div class="line"><a name="l00098"></a><span class="lineno">   98</span>&#160;<span class="keyword">      </span>{</div>
<div class="line"><a name="l00099"></a><span class="lineno">   99</span>&#160;        <a class="code" href="classOpenMS_1_1ConvexHull2D.html#abdcce0f11b8d73a2b4da5b1a00457d7b">ConvexHull2D::PointArrayType</a> hull_points(peaks.size());</div>
<div class="line"><a name="l00100"></a><span class="lineno">  100</span>&#160;        <span class="keywordflow">for</span> (<a class="code" href="group__Concept.html#gaf9ecec2d692138fab9167164a457cbd4">Size</a> i = 0; i &lt; peaks.size(); ++i)</div>
<div class="line"><a name="l00101"></a><span class="lineno">  101</span>&#160;        {</div>
<div class="line"><a name="l00102"></a><span class="lineno">  102</span>&#160;          hull_points[i][0] = peaks[i].first;</div>
<div class="line"><a name="l00103"></a><span class="lineno">  103</span>&#160;          hull_points[i][1] = peaks[i].second-&gt;getMZ();</div>
<div class="line"><a name="l00104"></a><span class="lineno">  104</span>&#160;        }</div>
<div class="line"><a name="l00105"></a><span class="lineno">  105</span>&#160;        <a class="code" href="classOpenMS_1_1ConvexHull2D.html">ConvexHull2D</a> hull;</div>
<div class="line"><a name="l00106"></a><span class="lineno">  106</span>&#160;        hull.<a class="code" href="classOpenMS_1_1ConvexHull2D.html#ad84ba51670fc0bd9b6b2091ba27c3013">addPoints</a>(hull_points);</div>
<div class="line"><a name="l00107"></a><span class="lineno">  107</span>&#160;        <span class="keywordflow">return</span> hull;</div>
<div class="line"><a name="l00108"></a><span class="lineno">  108</span>&#160;      }</div>
<div class="line"><a name="l00109"></a><span class="lineno">  109</span>&#160;</div>
<div class="line"><a name="l00111"></a><span class="lineno"><a class="line" href="structOpenMS_1_1FeatureFinderAlgorithmPickedHelperStructs_1_1MassTrace.html#ab7ab5a380f7580b4a72e45ed1b97e223">  111</a></span>&#160;      <span class="keywordtype">void</span> <a class="code" href="structOpenMS_1_1FeatureFinderAlgorithmPickedHelperStructs_1_1MassTrace.html#ab7ab5a380f7580b4a72e45ed1b97e223">updateMaximum</a>()</div>
<div class="line"><a name="l00112"></a><span class="lineno">  112</span>&#160;      {</div>
<div class="line"><a name="l00113"></a><span class="lineno">  113</span>&#160;        <span class="keywordflow">if</span> (peaks.empty()) <span class="keywordflow">return</span>;</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;        max_rt = peaks.begin()-&gt;first;</div>
<div class="line"><a name="l00116"></a><span class="lineno">  116</span>&#160;        max_peak = peaks.begin()-&gt;second;</div>
<div class="line"><a name="l00117"></a><span class="lineno">  117</span>&#160;</div>
<div class="line"><a name="l00118"></a><span class="lineno">  118</span>&#160;        <span class="keywordflow">for</span> (<a class="code" href="group__Concept.html#gaf9ecec2d692138fab9167164a457cbd4">Size</a> i = 1; i &lt; peaks.size(); ++i)</div>
<div class="line"><a name="l00119"></a><span class="lineno">  119</span>&#160;        {</div>
<div class="line"><a name="l00120"></a><span class="lineno">  120</span>&#160;          <span class="keywordflow">if</span> (peaks[i].second-&gt;getIntensity() &gt; max_peak-&gt;getIntensity())</div>
<div class="line"><a name="l00121"></a><span class="lineno">  121</span>&#160;          {</div>
<div class="line"><a name="l00122"></a><span class="lineno">  122</span>&#160;            max_rt = peaks[i].first;</div>
<div class="line"><a name="l00123"></a><span class="lineno">  123</span>&#160;            max_peak = peaks[i].second;</div>
<div class="line"><a name="l00124"></a><span class="lineno">  124</span>&#160;          }</div>
<div class="line"><a name="l00125"></a><span class="lineno">  125</span>&#160;        }</div>
<div class="line"><a name="l00126"></a><span class="lineno">  126</span>&#160;      }</div>
<div class="line"><a name="l00127"></a><span class="lineno">  127</span>&#160;</div>
<div class="line"><a name="l00129"></a><span class="lineno"><a class="line" href="structOpenMS_1_1FeatureFinderAlgorithmPickedHelperStructs_1_1MassTrace.html#a9e412d0107d500905395b1e24908fca1">  129</a></span>&#160;      <a class="code" href="classdouble.html">DoubleReal</a> <a class="code" href="structOpenMS_1_1FeatureFinderAlgorithmPickedHelperStructs_1_1MassTrace.html#a9e412d0107d500905395b1e24908fca1">getAvgMZ</a>()<span class="keyword"> const</span></div>
<div class="line"><a name="l00130"></a><span class="lineno">  130</span>&#160;<span class="keyword">      </span>{</div>
<div class="line"><a name="l00131"></a><span class="lineno">  131</span>&#160;        <a class="code" href="classdouble.html">DoubleReal</a> <a class="code" href="group__MathFunctionsStatistics.html#ga55edf7ee469b3d635c367d9c83fe87f5">sum</a> = 0.0;</div>
<div class="line"><a name="l00132"></a><span class="lineno">  132</span>&#160;        <a class="code" href="classdouble.html">DoubleReal</a> intensities = 0.0;</div>
<div class="line"><a name="l00133"></a><span class="lineno">  133</span>&#160;        <span class="keywordflow">for</span> (<a class="code" href="group__Concept.html#gaf9ecec2d692138fab9167164a457cbd4">Size</a> i = 0; i &lt; peaks.size(); ++i)</div>
<div class="line"><a name="l00134"></a><span class="lineno">  134</span>&#160;        {</div>
<div class="line"><a name="l00135"></a><span class="lineno">  135</span>&#160;          sum += peaks[i].second-&gt;getMZ() * peaks[i].second-&gt;getIntensity();</div>
<div class="line"><a name="l00136"></a><span class="lineno">  136</span>&#160;          intensities += peaks[i].second-&gt;getIntensity();</div>
<div class="line"><a name="l00137"></a><span class="lineno">  137</span>&#160;        }</div>
<div class="line"><a name="l00138"></a><span class="lineno">  138</span>&#160;        <span class="keywordflow">return</span> sum / intensities;</div>
<div class="line"><a name="l00139"></a><span class="lineno">  139</span>&#160;      }</div>
<div class="line"><a name="l00140"></a><span class="lineno">  140</span>&#160;</div>
<div class="line"><a name="l00142"></a><span class="lineno"><a class="line" href="structOpenMS_1_1FeatureFinderAlgorithmPickedHelperStructs_1_1MassTrace.html#aac1b70a2ed67ead038c4d3f5ac4d8a81">  142</a></span>&#160;      <span class="keywordtype">bool</span> <a class="code" href="structOpenMS_1_1FeatureFinderAlgorithmPickedHelperStructs_1_1MassTrace.html#aac1b70a2ed67ead038c4d3f5ac4d8a81">isValid</a>()<span class="keyword"> const</span></div>
<div class="line"><a name="l00143"></a><span class="lineno">  143</span>&#160;<span class="keyword">      </span>{</div>
<div class="line"><a name="l00144"></a><span class="lineno">  144</span>&#160;        <span class="keywordflow">return</span> peaks.size() &gt;= 3;</div>
<div class="line"><a name="l00145"></a><span class="lineno">  145</span>&#160;      }</div>
<div class="line"><a name="l00146"></a><span class="lineno">  146</span>&#160;</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;</div>
<div class="line"><a name="l00152"></a><span class="lineno">  152</span>&#160;    <span class="keyword">template</span> &lt;<span class="keyword">class</span> PeakType&gt;</div>
<div class="line"><a name="l00153"></a><span class="lineno"><a class="line" href="structOpenMS_1_1FeatureFinderAlgorithmPickedHelperStructs_1_1MassTraces.html">  153</a></span>&#160;    <span class="keyword">struct </span><a class="code" href="structOpenMS_1_1FeatureFinderAlgorithmPickedHelperStructs_1_1MassTraces.html">MassTraces</a> :</div>
<div class="line"><a name="l00154"></a><span class="lineno">  154</span>&#160;      <span class="keyword">public</span> std::vector&lt;MassTrace&lt;PeakType&gt; &gt;</div>
<div class="line"><a name="l00155"></a><span class="lineno">  155</span>&#160;    {</div>
<div class="line"><a name="l00157"></a><span class="lineno"><a class="line" href="structOpenMS_1_1FeatureFinderAlgorithmPickedHelperStructs_1_1MassTraces.html#ac95e5275b214e4ba06718f1efdcc0cca">  157</a></span>&#160;      <a class="code" href="structOpenMS_1_1FeatureFinderAlgorithmPickedHelperStructs_1_1MassTraces.html#ac95e5275b214e4ba06718f1efdcc0cca">MassTraces</a>() :</div>
<div class="line"><a name="l00158"></a><span class="lineno">  158</span>&#160;        max_trace(0)</div>
<div class="line"><a name="l00159"></a><span class="lineno">  159</span>&#160;      {</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;</div>
<div class="line"><a name="l00163"></a><span class="lineno"><a class="line" href="structOpenMS_1_1FeatureFinderAlgorithmPickedHelperStructs_1_1MassTraces.html#a34c827b6d53a8c171b233332bfe4d634">  163</a></span>&#160;      <a class="code" href="group__Concept.html#gaf9ecec2d692138fab9167164a457cbd4">Size</a> <a class="code" href="structOpenMS_1_1FeatureFinderAlgorithmPickedHelperStructs_1_1MassTraces.html#a34c827b6d53a8c171b233332bfe4d634">getPeakCount</a>()<span class="keyword"> const</span></div>
<div class="line"><a name="l00164"></a><span class="lineno">  164</span>&#160;<span class="keyword">      </span>{</div>
<div class="line"><a name="l00165"></a><span class="lineno">  165</span>&#160;        <a class="code" href="group__Concept.html#gaf9ecec2d692138fab9167164a457cbd4">Size</a> <a class="code" href="group__MathFunctionsStatistics.html#ga55edf7ee469b3d635c367d9c83fe87f5">sum</a> = 0;</div>
<div class="line"><a name="l00166"></a><span class="lineno">  166</span>&#160;        <span class="keywordflow">for</span> (<a class="code" href="group__Concept.html#gaf9ecec2d692138fab9167164a457cbd4">Size</a> i = 0; i &lt; this-&gt;size(); ++i)</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;          sum += this-&gt;at(i).peaks.size();</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;        <span class="keywordflow">return</span> <a class="code" href="group__MathFunctionsStatistics.html#ga55edf7ee469b3d635c367d9c83fe87f5">sum</a>;</div>
<div class="line"><a name="l00171"></a><span class="lineno">  171</span>&#160;      }</div>
<div class="line"><a name="l00172"></a><span class="lineno">  172</span>&#160;</div>
<div class="line"><a name="l00174"></a><span class="lineno"><a class="line" href="structOpenMS_1_1FeatureFinderAlgorithmPickedHelperStructs_1_1MassTraces.html#a7e409d85407a4cfbc76fdc4aac06f185">  174</a></span>&#160;      <span class="keywordtype">bool</span> <a class="code" href="structOpenMS_1_1FeatureFinderAlgorithmPickedHelperStructs_1_1MassTraces.html#a7e409d85407a4cfbc76fdc4aac06f185">isValid</a>(<a class="code" href="classdouble.html">DoubleReal</a> seed_mz, <a class="code" href="classdouble.html">DoubleReal</a> trace_tolerance)</div>
<div class="line"><a name="l00175"></a><span class="lineno">  175</span>&#160;      {</div>
<div class="line"><a name="l00176"></a><span class="lineno">  176</span>&#160;        <span class="comment">//Abort if too few traces were found</span></div>
<div class="line"><a name="l00177"></a><span class="lineno">  177</span>&#160;        <span class="keywordflow">if</span> (this-&gt;size() &lt; 2) <span class="keywordflow">return</span> <span class="keyword">false</span>;</div>
<div class="line"><a name="l00178"></a><span class="lineno">  178</span>&#160;</div>
<div class="line"><a name="l00179"></a><span class="lineno">  179</span>&#160;        <span class="comment">//Abort if the seed was removed</span></div>
<div class="line"><a name="l00180"></a><span class="lineno">  180</span>&#160;        <span class="keywordflow">for</span> (<a class="code" href="group__Concept.html#gaf9ecec2d692138fab9167164a457cbd4">Size</a> j = 0; j &lt; this-&gt;size(); ++j)</div>
<div class="line"><a name="l00181"></a><span class="lineno">  181</span>&#160;        {</div>
<div class="line"><a name="l00182"></a><span class="lineno">  182</span>&#160;          <span class="keywordflow">if</span> (std::fabs(seed_mz - this-&gt;at(j).getAvgMZ()) &lt;= trace_tolerance)</div>
<div class="line"><a name="l00183"></a><span class="lineno">  183</span>&#160;          {</div>
<div class="line"><a name="l00184"></a><span class="lineno">  184</span>&#160;            <span class="keywordflow">return</span> <span class="keyword">true</span>;</div>
<div class="line"><a name="l00185"></a><span class="lineno">  185</span>&#160;          }</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="keywordflow">return</span> <span class="keyword">false</span>;</div>
<div class="line"><a name="l00188"></a><span class="lineno">  188</span>&#160;      }</div>
<div class="line"><a name="l00189"></a><span class="lineno">  189</span>&#160;</div>
<div class="line"><a name="l00195"></a><span class="lineno"><a class="line" href="structOpenMS_1_1FeatureFinderAlgorithmPickedHelperStructs_1_1MassTraces.html#abd839e76d16452338866dd6bf6290c72">  195</a></span>&#160;      <a class="code" href="group__Concept.html#gaf9ecec2d692138fab9167164a457cbd4">Size</a> <a class="code" href="structOpenMS_1_1FeatureFinderAlgorithmPickedHelperStructs_1_1MassTraces.html#abd839e76d16452338866dd6bf6290c72">getTheoreticalmaxPosition</a>()<span class="keyword"> const</span></div>
<div class="line"><a name="l00196"></a><span class="lineno">  196</span>&#160;<span class="keyword">      </span>{</div>
<div class="line"><a name="l00197"></a><span class="lineno">  197</span>&#160;        <span class="keywordflow">if</span> (!this-&gt;size())</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="keywordflow">throw</span> <a class="code" href="classOpenMS_1_1Exception_1_1Precondition.html">Exception::Precondition</a>(__FILE__, __LINE__, __PRETTY_FUNCTION__, <span class="stringliteral">&quot;There must be at least one trace to determine the theoretical maximum trace!&quot;</span>);</div>
<div class="line"><a name="l00200"></a><span class="lineno">  200</span>&#160;        }</div>
<div class="line"><a name="l00201"></a><span class="lineno">  201</span>&#160;</div>
<div class="line"><a name="l00202"></a><span class="lineno">  202</span>&#160;        <a class="code" href="group__Concept.html#gaf9ecec2d692138fab9167164a457cbd4">Size</a> max = 0;</div>
<div class="line"><a name="l00203"></a><span class="lineno">  203</span>&#160;        <a class="code" href="classdouble.html">DoubleReal</a> max_int = this-&gt;at(0).theoretical_int;</div>
<div class="line"><a name="l00204"></a><span class="lineno">  204</span>&#160;        <span class="keywordflow">for</span> (<a class="code" href="group__Concept.html#gaf9ecec2d692138fab9167164a457cbd4">Size</a> i = 1; i &lt; this-&gt;size(); ++i)</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;          <span class="keywordflow">if</span> (this-&gt;at(i).theoretical_int &gt; max_int)</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;            max_int = this-&gt;at(i).theoretical_int;</div>
<div class="line"><a name="l00209"></a><span class="lineno">  209</span>&#160;            max = i;</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;        }</div>
<div class="line"><a name="l00212"></a><span class="lineno">  212</span>&#160;        <span class="keywordflow">return</span> max;</div>
<div class="line"><a name="l00213"></a><span class="lineno">  213</span>&#160;      }</div>
<div class="line"><a name="l00214"></a><span class="lineno">  214</span>&#160;</div>
<div class="line"><a name="l00216"></a><span class="lineno"><a class="line" href="structOpenMS_1_1FeatureFinderAlgorithmPickedHelperStructs_1_1MassTraces.html#ac342b58a6d6d5e6fae39d3300c37178d">  216</a></span>&#160;      <span class="keywordtype">void</span> <a class="code" href="structOpenMS_1_1FeatureFinderAlgorithmPickedHelperStructs_1_1MassTraces.html#ac342b58a6d6d5e6fae39d3300c37178d">updateBaseline</a>()</div>
<div class="line"><a name="l00217"></a><span class="lineno">  217</span>&#160;      {</div>
<div class="line"><a name="l00218"></a><span class="lineno">  218</span>&#160;        <span class="keywordflow">if</span> (this-&gt;size() == 0)</div>
<div class="line"><a name="l00219"></a><span class="lineno">  219</span>&#160;        {</div>
<div class="line"><a name="l00220"></a><span class="lineno">  220</span>&#160;          baseline = 0.0;</div>
<div class="line"><a name="l00221"></a><span class="lineno">  221</span>&#160;          <span class="keywordflow">return</span>;</div>
<div class="line"><a name="l00222"></a><span class="lineno">  222</span>&#160;        }</div>
<div class="line"><a name="l00223"></a><span class="lineno">  223</span>&#160;        <span class="keywordtype">bool</span> first = <span class="keyword">true</span>;</div>
<div class="line"><a name="l00224"></a><span class="lineno">  224</span>&#160;        <span class="keywordflow">for</span> (<a class="code" href="group__Concept.html#gaf9ecec2d692138fab9167164a457cbd4">Size</a> i = 0; i &lt; this-&gt;size(); ++i)</div>
<div class="line"><a name="l00225"></a><span class="lineno">  225</span>&#160;        {</div>
<div class="line"><a name="l00226"></a><span class="lineno">  226</span>&#160;          <span class="keywordflow">for</span> (<a class="code" href="group__Concept.html#gaf9ecec2d692138fab9167164a457cbd4">Size</a> j = 0; j &lt; this-&gt;at(i).peaks.size(); ++j)</div>
<div class="line"><a name="l00227"></a><span class="lineno">  227</span>&#160;          {</div>
<div class="line"><a name="l00228"></a><span class="lineno">  228</span>&#160;            <span class="keywordflow">if</span> (first)</div>
<div class="line"><a name="l00229"></a><span class="lineno">  229</span>&#160;            {</div>
<div class="line"><a name="l00230"></a><span class="lineno">  230</span>&#160;              baseline = this-&gt;at(i).peaks[j].second-&gt;getIntensity();</div>
<div class="line"><a name="l00231"></a><span class="lineno">  231</span>&#160;              first = <span class="keyword">false</span>;</div>
<div class="line"><a name="l00232"></a><span class="lineno">  232</span>&#160;            }</div>
<div class="line"><a name="l00233"></a><span class="lineno">  233</span>&#160;            <span class="keywordflow">if</span> (this-&gt;at(i).peaks[j].second-&gt;getIntensity() &lt; baseline)</div>
<div class="line"><a name="l00234"></a><span class="lineno">  234</span>&#160;            {</div>
<div class="line"><a name="l00235"></a><span class="lineno">  235</span>&#160;              baseline = this-&gt;at(i).peaks[j].second-&gt;getIntensity();</div>
<div class="line"><a name="l00236"></a><span class="lineno">  236</span>&#160;            }</div>
<div class="line"><a name="l00237"></a><span class="lineno">  237</span>&#160;          }</div>
<div class="line"><a name="l00238"></a><span class="lineno">  238</span>&#160;        }</div>
<div class="line"><a name="l00239"></a><span class="lineno">  239</span>&#160;      }</div>
<div class="line"><a name="l00240"></a><span class="lineno">  240</span>&#160;</div>
<div class="line"><a name="l00246"></a><span class="lineno"><a class="line" href="structOpenMS_1_1FeatureFinderAlgorithmPickedHelperStructs_1_1MassTraces.html#adee689cac2b64d7164dbfc3d48110d91">  246</a></span>&#160;      std::pair&lt;DoubleReal, DoubleReal&gt; <a class="code" href="structOpenMS_1_1FeatureFinderAlgorithmPickedHelperStructs_1_1MassTraces.html#adee689cac2b64d7164dbfc3d48110d91">getRTBounds</a>()<span class="keyword"> const</span></div>
<div class="line"><a name="l00247"></a><span class="lineno">  247</span>&#160;<span class="keyword">      </span>{</div>
<div class="line"><a name="l00248"></a><span class="lineno">  248</span>&#160;        <span class="keywordflow">if</span> (!this-&gt;size())</div>
<div class="line"><a name="l00249"></a><span class="lineno">  249</span>&#160;        {</div>
<div class="line"><a name="l00250"></a><span class="lineno">  250</span>&#160;          <span class="keywordflow">throw</span> <a class="code" href="classOpenMS_1_1Exception_1_1Precondition.html">Exception::Precondition</a>(__FILE__, __LINE__, __PRETTY_FUNCTION__, <span class="stringliteral">&quot;There must be at least one trace to determine the RT boundaries!&quot;</span>);</div>
<div class="line"><a name="l00251"></a><span class="lineno">  251</span>&#160;        }</div>
<div class="line"><a name="l00252"></a><span class="lineno">  252</span>&#160;</div>
<div class="line"><a name="l00253"></a><span class="lineno">  253</span>&#160;        <a class="code" href="classdouble.html">DoubleReal</a> min = std::numeric_limits&lt;DoubleReal&gt;::max();</div>
<div class="line"><a name="l00254"></a><span class="lineno">  254</span>&#160;        <a class="code" href="classdouble.html">DoubleReal</a> max = -std::numeric_limits&lt;DoubleReal&gt;::max();</div>
<div class="line"><a name="l00255"></a><span class="lineno">  255</span>&#160;        <span class="comment">//Abort if the seed was removed</span></div>
<div class="line"><a name="l00256"></a><span class="lineno">  256</span>&#160;        <span class="keywordflow">for</span> (<a class="code" href="group__Concept.html#gaf9ecec2d692138fab9167164a457cbd4">Size</a> i = 0; i &lt; this-&gt;size(); ++i)</div>
<div class="line"><a name="l00257"></a><span class="lineno">  257</span>&#160;        {</div>
<div class="line"><a name="l00258"></a><span class="lineno">  258</span>&#160;          <span class="keywordflow">for</span> (<a class="code" href="group__Concept.html#gaf9ecec2d692138fab9167164a457cbd4">Size</a> j = 0; j &lt; this-&gt;at(i).peaks.size(); ++j)</div>
<div class="line"><a name="l00259"></a><span class="lineno">  259</span>&#160;          {</div>
<div class="line"><a name="l00260"></a><span class="lineno">  260</span>&#160;            <a class="code" href="classdouble.html">DoubleReal</a> rt = this-&gt;at(i).peaks[j].first;</div>
<div class="line"><a name="l00261"></a><span class="lineno">  261</span>&#160;            <span class="keywordflow">if</span> (rt &gt; max) max = rt;</div>
<div class="line"><a name="l00262"></a><span class="lineno">  262</span>&#160;            <span class="keywordflow">if</span> (rt &lt; min) min = rt;</div>
<div class="line"><a name="l00263"></a><span class="lineno">  263</span>&#160;          }</div>
<div class="line"><a name="l00264"></a><span class="lineno">  264</span>&#160;        }</div>
<div class="line"><a name="l00265"></a><span class="lineno">  265</span>&#160;        <span class="keywordflow">return</span> std::make_pair(min, max);</div>
<div class="line"><a name="l00266"></a><span class="lineno">  266</span>&#160;      }</div>
<div class="line"><a name="l00267"></a><span class="lineno">  267</span>&#160;</div>
<div class="line"><a name="l00269"></a><span class="lineno"><a class="line" href="structOpenMS_1_1FeatureFinderAlgorithmPickedHelperStructs_1_1MassTraces.html#ac71f27c40d35a3658e5753647c3e63ca">  269</a></span>&#160;      <a class="code" href="group__Concept.html#gaf9ecec2d692138fab9167164a457cbd4">Size</a> <a class="code" href="structOpenMS_1_1FeatureFinderAlgorithmPickedHelperStructs_1_1MassTraces.html#ac71f27c40d35a3658e5753647c3e63ca">max_trace</a>;</div>
<div class="line"><a name="l00271"></a><span class="lineno"><a class="line" href="structOpenMS_1_1FeatureFinderAlgorithmPickedHelperStructs_1_1MassTraces.html#acb405e09b194cb848140c99da3d6c34b">  271</a></span>&#160;      <a class="code" href="classdouble.html">DoubleReal</a> <a class="code" href="structOpenMS_1_1FeatureFinderAlgorithmPickedHelperStructs_1_1MassTraces.html#acb405e09b194cb848140c99da3d6c34b">baseline</a>;</div>
<div class="line"><a name="l00272"></a><span class="lineno">  272</span>&#160;    };</div>
<div class="line"><a name="l00273"></a><span class="lineno">  273</span>&#160;</div>
<div class="line"><a name="l00277"></a><span class="lineno"><a class="line" href="structOpenMS_1_1FeatureFinderAlgorithmPickedHelperStructs_1_1TheoreticalIsotopePattern.html">  277</a></span>&#160;    <span class="keyword">struct </span>OPENMS_DLLAPI <a class="code" href="structOpenMS_1_1FeatureFinderAlgorithmPickedHelperStructs_1_1TheoreticalIsotopePattern.html">TheoreticalIsotopePattern</a></div>
<div class="line"><a name="l00278"></a><span class="lineno">  278</span>&#160;    {</div>
<div class="line"><a name="l00280"></a><span class="lineno"><a class="line" href="structOpenMS_1_1FeatureFinderAlgorithmPickedHelperStructs_1_1TheoreticalIsotopePattern.html#ac102a03577b6512164d6e4ff3cf78df0">  280</a></span>&#160;      std::vector&lt;DoubleReal&gt; <a class="code" href="structOpenMS_1_1FeatureFinderAlgorithmPickedHelperStructs_1_1TheoreticalIsotopePattern.html#ac102a03577b6512164d6e4ff3cf78df0">intensity</a>;</div>
<div class="line"><a name="l00282"></a><span class="lineno"><a class="line" href="structOpenMS_1_1FeatureFinderAlgorithmPickedHelperStructs_1_1TheoreticalIsotopePattern.html#af2e76e2f5a4b1549e43a4dac9a3c35c2">  282</a></span>&#160;      <a class="code" href="group__Concept.html#gaf9ecec2d692138fab9167164a457cbd4">Size</a> <a class="code" href="structOpenMS_1_1FeatureFinderAlgorithmPickedHelperStructs_1_1TheoreticalIsotopePattern.html#af2e76e2f5a4b1549e43a4dac9a3c35c2">optional_begin</a>;</div>
<div class="line"><a name="l00284"></a><span class="lineno"><a class="line" href="structOpenMS_1_1FeatureFinderAlgorithmPickedHelperStructs_1_1TheoreticalIsotopePattern.html#a511873304a043cc9222285de3a2c2913">  284</a></span>&#160;      <a class="code" href="group__Concept.html#gaf9ecec2d692138fab9167164a457cbd4">Size</a> <a class="code" href="structOpenMS_1_1FeatureFinderAlgorithmPickedHelperStructs_1_1TheoreticalIsotopePattern.html#a511873304a043cc9222285de3a2c2913">optional_end</a>;</div>
<div class="line"><a name="l00286"></a><span class="lineno"><a class="line" href="structOpenMS_1_1FeatureFinderAlgorithmPickedHelperStructs_1_1TheoreticalIsotopePattern.html#a22e8cde44cef1cd6e10cb313348feacb">  286</a></span>&#160;      <a class="code" href="classdouble.html">DoubleReal</a> <a class="code" href="structOpenMS_1_1FeatureFinderAlgorithmPickedHelperStructs_1_1TheoreticalIsotopePattern.html#a22e8cde44cef1cd6e10cb313348feacb">max</a>;</div>
<div class="line"><a name="l00288"></a><span class="lineno"><a class="line" href="structOpenMS_1_1FeatureFinderAlgorithmPickedHelperStructs_1_1TheoreticalIsotopePattern.html#abe90dc4ba735b87228bfe913b490f9f2">  288</a></span>&#160;      <a class="code" href="group__Concept.html#gaf9ecec2d692138fab9167164a457cbd4">Size</a> <a class="code" href="structOpenMS_1_1FeatureFinderAlgorithmPickedHelperStructs_1_1TheoreticalIsotopePattern.html#abe90dc4ba735b87228bfe913b490f9f2">trimmed_left</a>;</div>
<div class="line"><a name="l00290"></a><span class="lineno"><a class="line" href="structOpenMS_1_1FeatureFinderAlgorithmPickedHelperStructs_1_1TheoreticalIsotopePattern.html#a9d78a687cf2a391198bb3cbc08bc06cb">  290</a></span>&#160;      <a class="code" href="group__Concept.html#gaf9ecec2d692138fab9167164a457cbd4">Size</a> <a class="code" href="structOpenMS_1_1FeatureFinderAlgorithmPickedHelperStructs_1_1TheoreticalIsotopePattern.html#a9d78a687cf2a391198bb3cbc08bc06cb">size</a>()<span class="keyword"> const</span></div>
<div class="line"><a name="l00291"></a><span class="lineno">  291</span>&#160;<span class="keyword">      </span>{</div>
<div class="line"><a name="l00292"></a><span class="lineno">  292</span>&#160;        <span class="keywordflow">return</span> intensity.size();</div>
<div class="line"><a name="l00293"></a><span class="lineno">  293</span>&#160;      }</div>
<div class="line"><a name="l00294"></a><span class="lineno">  294</span>&#160;</div>
<div class="line"><a name="l00295"></a><span class="lineno">  295</span>&#160;    };</div>
<div class="line"><a name="l00296"></a><span class="lineno">  296</span>&#160;</div>
<div class="line"><a name="l00300"></a><span class="lineno"><a class="line" href="structOpenMS_1_1FeatureFinderAlgorithmPickedHelperStructs_1_1IsotopePattern.html">  300</a></span>&#160;    <span class="keyword">struct </span>OPENMS_DLLAPI <a class="code" href="structOpenMS_1_1FeatureFinderAlgorithmPickedHelperStructs_1_1IsotopePattern.html">IsotopePattern</a></div>
<div class="line"><a name="l00301"></a><span class="lineno">  301</span>&#160;    {</div>
<div class="line"><a name="l00303"></a><span class="lineno"><a class="line" href="structOpenMS_1_1FeatureFinderAlgorithmPickedHelperStructs_1_1IsotopePattern.html#aec70588359757e4c6f30670fc74d2ebe">  303</a></span>&#160;      std::vector&lt;SignedSize&gt; <a class="code" href="structOpenMS_1_1FeatureFinderAlgorithmPickedHelperStructs_1_1IsotopePattern.html#aec70588359757e4c6f30670fc74d2ebe">peak</a>;</div>
<div class="line"><a name="l00305"></a><span class="lineno"><a class="line" href="structOpenMS_1_1FeatureFinderAlgorithmPickedHelperStructs_1_1IsotopePattern.html#a5ffc5efccefcdddcb7606303d72fa148">  305</a></span>&#160;      std::vector&lt;Size&gt; <a class="code" href="structOpenMS_1_1FeatureFinderAlgorithmPickedHelperStructs_1_1IsotopePattern.html#a5ffc5efccefcdddcb7606303d72fa148">spectrum</a>;</div>
<div class="line"><a name="l00307"></a><span class="lineno"><a class="line" href="structOpenMS_1_1FeatureFinderAlgorithmPickedHelperStructs_1_1IsotopePattern.html#ac102a03577b6512164d6e4ff3cf78df0">  307</a></span>&#160;      std::vector&lt;DoubleReal&gt; <a class="code" href="structOpenMS_1_1FeatureFinderAlgorithmPickedHelperStructs_1_1IsotopePattern.html#ac102a03577b6512164d6e4ff3cf78df0">intensity</a>;</div>
<div class="line"><a name="l00309"></a><span class="lineno"><a class="line" href="structOpenMS_1_1FeatureFinderAlgorithmPickedHelperStructs_1_1IsotopePattern.html#a4671707ce0fc9ba23aa8319f67afa141">  309</a></span>&#160;      std::vector&lt;DoubleReal&gt; <a class="code" href="structOpenMS_1_1FeatureFinderAlgorithmPickedHelperStructs_1_1IsotopePattern.html#a4671707ce0fc9ba23aa8319f67afa141">mz_score</a>;</div>
<div class="line"><a name="l00311"></a><span class="lineno"><a class="line" href="structOpenMS_1_1FeatureFinderAlgorithmPickedHelperStructs_1_1IsotopePattern.html#a7d03330cd21316709f10c3e9ca55f95c">  311</a></span>&#160;      std::vector&lt;DoubleReal&gt; <a class="code" href="structOpenMS_1_1FeatureFinderAlgorithmPickedHelperStructs_1_1IsotopePattern.html#a7d03330cd21316709f10c3e9ca55f95c">theoretical_mz</a>;</div>
<div class="line"><a name="l00313"></a><span class="lineno"><a class="line" href="structOpenMS_1_1FeatureFinderAlgorithmPickedHelperStructs_1_1IsotopePattern.html#a5dbfbed553b8cf7f9ef1bcb2c4ac94ca">  313</a></span>&#160;      <a class="code" href="structOpenMS_1_1FeatureFinderAlgorithmPickedHelperStructs_1_1TheoreticalIsotopePattern.html">TheoreticalIsotopePattern</a> <a class="code" href="structOpenMS_1_1FeatureFinderAlgorithmPickedHelperStructs_1_1IsotopePattern.html#a5dbfbed553b8cf7f9ef1bcb2c4ac94ca">theoretical_pattern</a>;</div>
<div class="line"><a name="l00314"></a><span class="lineno">  314</span>&#160;</div>
<div class="line"><a name="l00316"></a><span class="lineno"><a class="line" href="structOpenMS_1_1FeatureFinderAlgorithmPickedHelperStructs_1_1IsotopePattern.html#aecb0d9860846a0d374b520844b75dc44">  316</a></span>&#160;      <a class="code" href="structOpenMS_1_1FeatureFinderAlgorithmPickedHelperStructs_1_1IsotopePattern.html#aecb0d9860846a0d374b520844b75dc44">IsotopePattern</a>(<a class="code" href="group__Concept.html#gaf9ecec2d692138fab9167164a457cbd4">Size</a> size) :</div>
<div class="line"><a name="l00317"></a><span class="lineno">  317</span>&#160;        peak(size, -1),</div>
<div class="line"><a name="l00318"></a><span class="lineno">  318</span>&#160;        spectrum(size),</div>
<div class="line"><a name="l00319"></a><span class="lineno">  319</span>&#160;        intensity(size),</div>
<div class="line"><a name="l00320"></a><span class="lineno">  320</span>&#160;        mz_score(size),</div>
<div class="line"><a name="l00321"></a><span class="lineno">  321</span>&#160;        theoretical_mz(size)</div>
<div class="line"><a name="l00322"></a><span class="lineno">  322</span>&#160;      {</div>
<div class="line"><a name="l00323"></a><span class="lineno">  323</span>&#160;      }</div>
<div class="line"><a name="l00324"></a><span class="lineno">  324</span>&#160;</div>
<div class="line"><a name="l00325"></a><span class="lineno">  325</span>&#160;    };</div>
<div class="line"><a name="l00326"></a><span class="lineno">  326</span>&#160;</div>
<div class="line"><a name="l00327"></a><span class="lineno">  327</span>&#160;  };</div>
<div class="line"><a name="l00328"></a><span class="lineno">  328</span>&#160;}</div>
<div class="line"><a name="l00329"></a><span class="lineno">  329</span>&#160;</div>
<div class="line"><a name="l00330"></a><span class="lineno">  330</span>&#160;<span class="preprocessor">#endif // #ifndef OPENMS_TRANSFORMATIONS_FEATUREFINDER_FEATUREFINDERALGORITHMPICKEDHELPERSTRUCTS_H</span></div>
<div class="ttc" id="structOpenMS_1_1FeatureFinderAlgorithmPickedHelperStructs_1_1MassTraces_html_ac95e5275b214e4ba06718f1efdcc0cca"><div class="ttname"><a href="structOpenMS_1_1FeatureFinderAlgorithmPickedHelperStructs_1_1MassTraces.html#ac95e5275b214e4ba06718f1efdcc0cca">OpenMS::FeatureFinderAlgorithmPickedHelperStructs::MassTraces::MassTraces</a></div><div class="ttdeci">MassTraces()</div><div class="ttdoc">Constructor. </div><div class="ttdef"><b>Definition:</b> FeatureFinderAlgorithmPickedHelperStructs.h:157</div></div>
<div class="ttc" id="group__Concept_html_gab685845059e8a2c92743427d9a698c70"><div class="ttname"><a href="group__Concept.html#gab685845059e8a2c92743427d9a698c70">OpenMS::Real</a></div><div class="ttdeci">float Real</div><div class="ttdoc">Real type. </div><div class="ttdef"><b>Definition:</b> Types.h:109</div></div>
<div class="ttc" id="Types_8h_html"><div class="ttname"><a href="Types_8h.html">Types.h</a></div></div>
<div class="ttc" id="structOpenMS_1_1FeatureFinderAlgorithmPickedHelperStructs_1_1Seed_html_ae90f6d024629703c9ba0dbd5eb5ef4b2"><div class="ttname"><a href="structOpenMS_1_1FeatureFinderAlgorithmPickedHelperStructs_1_1Seed.html#ae90f6d024629703c9ba0dbd5eb5ef4b2">OpenMS::FeatureFinderAlgorithmPickedHelperStructs::Seed::spectrum</a></div><div class="ttdeci">Size spectrum</div><div class="ttdoc">Spectrum index. </div><div class="ttdef"><b>Definition:</b> FeatureFinderAlgorithmPickedHelperStructs.h:65</div></div>
<div class="ttc" id="structOpenMS_1_1FeatureFinderAlgorithmPickedHelperStructs_1_1MassTrace_html_ab7ab5a380f7580b4a72e45ed1b97e223"><div class="ttname"><a href="structOpenMS_1_1FeatureFinderAlgorithmPickedHelperStructs_1_1MassTrace.html#ab7ab5a380f7580b4a72e45ed1b97e223">OpenMS::FeatureFinderAlgorithmPickedHelperStructs::MassTrace::updateMaximum</a></div><div class="ttdeci">void updateMaximum()</div><div class="ttdoc">Sets the maximum to the highest contained peak of the trace. </div><div class="ttdef"><b>Definition:</b> FeatureFinderAlgorithmPickedHelperStructs.h:111</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="StringList_8h_html"><div class="ttname"><a href="StringList_8h.html">StringList.h</a></div></div>
<div class="ttc" id="group__MathFunctionsStatistics_html_ga55edf7ee469b3d635c367d9c83fe87f5"><div class="ttname"><a href="group__MathFunctionsStatistics.html#ga55edf7ee469b3d635c367d9c83fe87f5">OpenMS::Math::sum</a></div><div class="ttdeci">static DoubleReal sum(IteratorType begin, IteratorType end)</div><div class="ttdoc">Calculates the sum of a range of values. </div><div class="ttdef"><b>Definition:</b> StatisticFunctions.h:56</div></div>
<div class="ttc" id="structOpenMS_1_1FeatureFinderAlgorithmPickedHelperStructs_1_1MassTraces_html_ac71f27c40d35a3658e5753647c3e63ca"><div class="ttname"><a href="structOpenMS_1_1FeatureFinderAlgorithmPickedHelperStructs_1_1MassTraces.html#ac71f27c40d35a3658e5753647c3e63ca">OpenMS::FeatureFinderAlgorithmPickedHelperStructs::MassTraces::max_trace</a></div><div class="ttdeci">Size max_trace</div><div class="ttdoc">Maximum intensity trace. </div><div class="ttdef"><b>Definition:</b> FeatureFinderAlgorithmPickedHelperStructs.h:269</div></div>
<div class="ttc" id="structOpenMS_1_1FeatureFinderAlgorithmPickedHelperStructs_1_1MassTraces_html"><div class="ttname"><a href="structOpenMS_1_1FeatureFinderAlgorithmPickedHelperStructs_1_1MassTraces.html">OpenMS::FeatureFinderAlgorithmPickedHelperStructs::MassTraces</a></div><div class="ttdoc">Helper struct for a collection of mass traces used in FeatureFinderAlgorithmPicked. </div><div class="ttdef"><b>Definition:</b> FeatureFinderAlgorithmPickedHelperStructs.h:153</div></div>
<div class="ttc" id="structOpenMS_1_1FeatureFinderAlgorithmPickedHelperStructs_1_1MassTraces_html_a7e409d85407a4cfbc76fdc4aac06f185"><div class="ttname"><a href="structOpenMS_1_1FeatureFinderAlgorithmPickedHelperStructs_1_1MassTraces.html#a7e409d85407a4cfbc76fdc4aac06f185">OpenMS::FeatureFinderAlgorithmPickedHelperStructs::MassTraces::isValid</a></div><div class="ttdeci">bool isValid(DoubleReal seed_mz, DoubleReal trace_tolerance)</div><div class="ttdoc">Checks if still valid (seed still contained and enough traces) </div><div class="ttdef"><b>Definition:</b> FeatureFinderAlgorithmPickedHelperStructs.h:174</div></div>
<div class="ttc" id="classOpenMS_1_1ConvexHull2D_html_abdcce0f11b8d73a2b4da5b1a00457d7b"><div class="ttname"><a href="classOpenMS_1_1ConvexHull2D.html#abdcce0f11b8d73a2b4da5b1a00457d7b">OpenMS::ConvexHull2D::PointArrayType</a></div><div class="ttdeci">std::vector&lt; PointType &gt; PointArrayType</div><div class="ttdef"><b>Definition:</b> ConvexHull2D.h:79</div></div>
<div class="ttc" id="structOpenMS_1_1FeatureFinderAlgorithmPickedHelperStructs_html"><div class="ttname"><a href="structOpenMS_1_1FeatureFinderAlgorithmPickedHelperStructs.html">OpenMS::FeatureFinderAlgorithmPickedHelperStructs</a></div><div class="ttdoc">Wrapper struct for all the classes needed by the FeatureFinderAlgorithmPicked and the associated clas...</div><div class="ttdef"><b>Definition:</b> FeatureFinderAlgorithmPickedHelperStructs.h:56</div></div>
<div class="ttc" id="structOpenMS_1_1FeatureFinderAlgorithmPickedHelperStructs_1_1TheoreticalIsotopePattern_html_af2e76e2f5a4b1549e43a4dac9a3c35c2"><div class="ttname"><a href="structOpenMS_1_1FeatureFinderAlgorithmPickedHelperStructs_1_1TheoreticalIsotopePattern.html#af2e76e2f5a4b1549e43a4dac9a3c35c2">OpenMS::FeatureFinderAlgorithmPickedHelperStructs::TheoreticalIsotopePattern::optional_begin</a></div><div class="ttdeci">Size optional_begin</div><div class="ttdoc">Number of optional peaks at the beginning of the pattern. </div><div class="ttdef"><b>Definition:</b> FeatureFinderAlgorithmPickedHelperStructs.h:282</div></div>
<div class="ttc" id="structOpenMS_1_1FeatureFinderAlgorithmPickedHelperStructs_1_1TheoreticalIsotopePattern_html"><div class="ttname"><a href="structOpenMS_1_1FeatureFinderAlgorithmPickedHelperStructs_1_1TheoreticalIsotopePattern.html">OpenMS::FeatureFinderAlgorithmPickedHelperStructs::TheoreticalIsotopePattern</a></div><div class="ttdoc">Helper structure for a theoretical isotope pattern used in FeatureFinderAlgorithmPicked. </div><div class="ttdef"><b>Definition:</b> FeatureFinderAlgorithmPickedHelperStructs.h:277</div></div>
<div class="ttc" id="ConvexHull2D_8h_html"><div class="ttname"><a href="ConvexHull2D_8h.html">ConvexHull2D.h</a></div></div>
<div class="ttc" id="structOpenMS_1_1FeatureFinderAlgorithmPickedHelperStructs_1_1IsotopePattern_html_a4671707ce0fc9ba23aa8319f67afa141"><div class="ttname"><a href="structOpenMS_1_1FeatureFinderAlgorithmPickedHelperStructs_1_1IsotopePattern.html#a4671707ce0fc9ba23aa8319f67afa141">OpenMS::FeatureFinderAlgorithmPickedHelperStructs::IsotopePattern::mz_score</a></div><div class="ttdeci">std::vector&lt; DoubleReal &gt; mz_score</div><div class="ttdoc">m/z score of peak (0 if peak index is -1 or -2) </div><div class="ttdef"><b>Definition:</b> FeatureFinderAlgorithmPickedHelperStructs.h:309</div></div>
<div class="ttc" id="structOpenMS_1_1FeatureFinderAlgorithmPickedHelperStructs_1_1TheoreticalIsotopePattern_html_a9d78a687cf2a391198bb3cbc08bc06cb"><div class="ttname"><a href="structOpenMS_1_1FeatureFinderAlgorithmPickedHelperStructs_1_1TheoreticalIsotopePattern.html#a9d78a687cf2a391198bb3cbc08bc06cb">OpenMS::FeatureFinderAlgorithmPickedHelperStructs::TheoreticalIsotopePattern::size</a></div><div class="ttdeci">Size size() const </div><div class="ttdoc">Returns the size. </div><div class="ttdef"><b>Definition:</b> FeatureFinderAlgorithmPickedHelperStructs.h:290</div></div>
<div class="ttc" id="classdouble_html"><div class="ttname"><a href="classdouble.html">double</a></div></div>
<div class="ttc" id="structOpenMS_1_1FeatureFinderAlgorithmPickedHelperStructs_1_1IsotopePattern_html_ac102a03577b6512164d6e4ff3cf78df0"><div class="ttname"><a href="structOpenMS_1_1FeatureFinderAlgorithmPickedHelperStructs_1_1IsotopePattern.html#ac102a03577b6512164d6e4ff3cf78df0">OpenMS::FeatureFinderAlgorithmPickedHelperStructs::IsotopePattern::intensity</a></div><div class="ttdeci">std::vector&lt; DoubleReal &gt; intensity</div><div class="ttdoc">Peak intensity (0 if peak index is -1 or -2) </div><div class="ttdef"><b>Definition:</b> FeatureFinderAlgorithmPickedHelperStructs.h:307</div></div>
<div class="ttc" id="structOpenMS_1_1FeatureFinderAlgorithmPickedHelperStructs_1_1MassTraces_html_a34c827b6d53a8c171b233332bfe4d634"><div class="ttname"><a href="structOpenMS_1_1FeatureFinderAlgorithmPickedHelperStructs_1_1MassTraces.html#a34c827b6d53a8c171b233332bfe4d634">OpenMS::FeatureFinderAlgorithmPickedHelperStructs::MassTraces::getPeakCount</a></div><div class="ttdeci">Size getPeakCount() const </div><div class="ttdoc">Returns the peak count of all traces. </div><div class="ttdef"><b>Definition:</b> FeatureFinderAlgorithmPickedHelperStructs.h:163</div></div>
<div class="ttc" id="classOpenMS_1_1Exception_1_1Precondition_html"><div class="ttname"><a href="classOpenMS_1_1Exception_1_1Precondition.html">OpenMS::Exception::Precondition</a></div><div class="ttdoc">Precondition failed exception. </div><div class="ttdef"><b>Definition:</b> Exception.h:167</div></div>
<div class="ttc" id="structOpenMS_1_1FeatureFinderAlgorithmPickedHelperStructs_1_1IsotopePattern_html_aecb0d9860846a0d374b520844b75dc44"><div class="ttname"><a href="structOpenMS_1_1FeatureFinderAlgorithmPickedHelperStructs_1_1IsotopePattern.html#aecb0d9860846a0d374b520844b75dc44">OpenMS::FeatureFinderAlgorithmPickedHelperStructs::IsotopePattern::IsotopePattern</a></div><div class="ttdeci">IsotopePattern(Size size)</div><div class="ttdoc">Constructor that resizes the internal vectors. </div><div class="ttdef"><b>Definition:</b> FeatureFinderAlgorithmPickedHelperStructs.h:316</div></div>
<div class="ttc" id="structOpenMS_1_1FeatureFinderAlgorithmPickedHelperStructs_1_1IsotopePattern_html_a7d03330cd21316709f10c3e9ca55f95c"><div class="ttname"><a href="structOpenMS_1_1FeatureFinderAlgorithmPickedHelperStructs_1_1IsotopePattern.html#a7d03330cd21316709f10c3e9ca55f95c">OpenMS::FeatureFinderAlgorithmPickedHelperStructs::IsotopePattern::theoretical_mz</a></div><div class="ttdeci">std::vector&lt; DoubleReal &gt; theoretical_mz</div><div class="ttdoc">Theoretical m/z value of the isotope peak. </div><div class="ttdef"><b>Definition:</b> FeatureFinderAlgorithmPickedHelperStructs.h:311</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="structOpenMS_1_1FeatureFinderAlgorithmPickedHelperStructs_1_1IsotopePattern_html_a5dbfbed553b8cf7f9ef1bcb2c4ac94ca"><div class="ttname"><a href="structOpenMS_1_1FeatureFinderAlgorithmPickedHelperStructs_1_1IsotopePattern.html#a5dbfbed553b8cf7f9ef1bcb2c4ac94ca">OpenMS::FeatureFinderAlgorithmPickedHelperStructs::IsotopePattern::theoretical_pattern</a></div><div class="ttdeci">TheoreticalIsotopePattern theoretical_pattern</div><div class="ttdoc">Theoretical isotope pattern. </div><div class="ttdef"><b>Definition:</b> FeatureFinderAlgorithmPickedHelperStructs.h:313</div></div>
<div class="ttc" id="structOpenMS_1_1FeatureFinderAlgorithmPickedHelperStructs_1_1MassTrace_html_a5b4f59cd6190bad20c6cd235e77b34f6"><div class="ttname"><a href="structOpenMS_1_1FeatureFinderAlgorithmPickedHelperStructs_1_1MassTrace.html#a5b4f59cd6190bad20c6cd235e77b34f6">OpenMS::FeatureFinderAlgorithmPickedHelperStructs::MassTrace::max_peak</a></div><div class="ttdeci">const PeakType * max_peak</div><div class="ttdoc">Maximum peak pointer. </div><div class="ttdef"><b>Definition:</b> FeatureFinderAlgorithmPickedHelperStructs.h:86</div></div>
<div class="ttc" id="structOpenMS_1_1FeatureFinderAlgorithmPickedHelperStructs_1_1IsotopePattern_html_a5ffc5efccefcdddcb7606303d72fa148"><div class="ttname"><a href="structOpenMS_1_1FeatureFinderAlgorithmPickedHelperStructs_1_1IsotopePattern.html#a5ffc5efccefcdddcb7606303d72fa148">OpenMS::FeatureFinderAlgorithmPickedHelperStructs::IsotopePattern::spectrum</a></div><div class="ttdeci">std::vector&lt; Size &gt; spectrum</div><div class="ttdoc">Spectrum index (undefined if peak index is -1 or -2) </div><div class="ttdef"><b>Definition:</b> FeatureFinderAlgorithmPickedHelperStructs.h:305</div></div>
<div class="ttc" id="structOpenMS_1_1FeatureFinderAlgorithmPickedHelperStructs_1_1MassTrace_html_aac1b70a2ed67ead038c4d3f5ac4d8a81"><div class="ttname"><a href="structOpenMS_1_1FeatureFinderAlgorithmPickedHelperStructs_1_1MassTrace.html#aac1b70a2ed67ead038c4d3f5ac4d8a81">OpenMS::FeatureFinderAlgorithmPickedHelperStructs::MassTrace::isValid</a></div><div class="ttdeci">bool isValid() const </div><div class="ttdoc">Checks if this Trace is valid (has more than 2 points) </div><div class="ttdef"><b>Definition:</b> FeatureFinderAlgorithmPickedHelperStructs.h:142</div></div>
<div class="ttc" id="structOpenMS_1_1FeatureFinderAlgorithmPickedHelperStructs_1_1TheoreticalIsotopePattern_html_a22e8cde44cef1cd6e10cb313348feacb"><div class="ttname"><a href="structOpenMS_1_1FeatureFinderAlgorithmPickedHelperStructs_1_1TheoreticalIsotopePattern.html#a22e8cde44cef1cd6e10cb313348feacb">OpenMS::FeatureFinderAlgorithmPickedHelperStructs::TheoreticalIsotopePattern::max</a></div><div class="ttdeci">DoubleReal max</div><div class="ttdoc">The maximum intensity contribution before scaling the pattern to 1. </div><div class="ttdef"><b>Definition:</b> FeatureFinderAlgorithmPickedHelperStructs.h:286</div></div>
<div class="ttc" id="structOpenMS_1_1FeatureFinderAlgorithmPickedHelperStructs_1_1MassTrace_html_a7db81fa54d4743c867872ac5b0938247"><div class="ttname"><a href="structOpenMS_1_1FeatureFinderAlgorithmPickedHelperStructs_1_1MassTrace.html#a7db81fa54d4743c867872ac5b0938247">OpenMS::FeatureFinderAlgorithmPickedHelperStructs::MassTrace::theoretical_int</a></div><div class="ttdeci">DoubleReal theoretical_int</div><div class="ttdoc">Theoretical intensity value (scaled to [0,1]) </div><div class="ttdef"><b>Definition:</b> FeatureFinderAlgorithmPickedHelperStructs.h:91</div></div>
<div class="ttc" id="structOpenMS_1_1FeatureFinderAlgorithmPickedHelperStructs_1_1MassTrace_html_a4e03424081001803c857e174edc57ebe"><div class="ttname"><a href="structOpenMS_1_1FeatureFinderAlgorithmPickedHelperStructs_1_1MassTrace.html#a4e03424081001803c857e174edc57ebe">OpenMS::FeatureFinderAlgorithmPickedHelperStructs::MassTrace::getConvexhull</a></div><div class="ttdeci">ConvexHull2D getConvexhull() const </div><div class="ttdoc">determines the convex hull of the trace </div><div class="ttdef"><b>Definition:</b> FeatureFinderAlgorithmPickedHelperStructs.h:97</div></div>
<div class="ttc" id="structOpenMS_1_1FeatureFinderAlgorithmPickedHelperStructs_1_1Seed_html_a9deb122e0f8be3e6d8ca737ad7a7264a"><div class="ttname"><a href="structOpenMS_1_1FeatureFinderAlgorithmPickedHelperStructs_1_1Seed.html#a9deb122e0f8be3e6d8ca737ad7a7264a">OpenMS::FeatureFinderAlgorithmPickedHelperStructs::Seed::operator&lt;</a></div><div class="ttdeci">bool operator&lt;(const Seed &amp;rhs) const </div><div class="ttdoc">Comparison operator. </div><div class="ttdef"><b>Definition:</b> FeatureFinderAlgorithmPickedHelperStructs.h:72</div></div>
<div class="ttc" id="structOpenMS_1_1FeatureFinderAlgorithmPickedHelperStructs_1_1MassTraces_html_acb405e09b194cb848140c99da3d6c34b"><div class="ttname"><a href="structOpenMS_1_1FeatureFinderAlgorithmPickedHelperStructs_1_1MassTraces.html#acb405e09b194cb848140c99da3d6c34b">OpenMS::FeatureFinderAlgorithmPickedHelperStructs::MassTraces::baseline</a></div><div class="ttdeci">DoubleReal baseline</div><div class="ttdoc">Estimated baseline in the region of the feature (used for the fit) </div><div class="ttdef"><b>Definition:</b> FeatureFinderAlgorithmPickedHelperStructs.h:271</div></div>
<div class="ttc" id="structOpenMS_1_1FeatureFinderAlgorithmPickedHelperStructs_1_1IsotopePattern_html"><div class="ttname"><a href="structOpenMS_1_1FeatureFinderAlgorithmPickedHelperStructs_1_1IsotopePattern.html">OpenMS::FeatureFinderAlgorithmPickedHelperStructs::IsotopePattern</a></div><div class="ttdoc">Helper structure for a found isotope pattern used in FeatureFinderAlgorithmPicked. </div><div class="ttdef"><b>Definition:</b> FeatureFinderAlgorithmPickedHelperStructs.h:300</div></div>
<div class="ttc" id="structOpenMS_1_1FeatureFinderAlgorithmPickedHelperStructs_1_1MassTrace_html_a939a68c9800eb2c9017f45c93f913c89"><div class="ttname"><a href="structOpenMS_1_1FeatureFinderAlgorithmPickedHelperStructs_1_1MassTrace.html#a939a68c9800eb2c9017f45c93f913c89">OpenMS::FeatureFinderAlgorithmPickedHelperStructs::MassTrace::max_rt</a></div><div class="ttdeci">DoubleReal max_rt</div><div class="ttdoc">RT of maximum peak. </div><div class="ttdef"><b>Definition:</b> FeatureFinderAlgorithmPickedHelperStructs.h:88</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="structOpenMS_1_1FeatureFinderAlgorithmPickedHelperStructs_1_1MassTrace_html_a45696e11061da82e7cfd8a0ee88f5d8e"><div class="ttname"><a href="structOpenMS_1_1FeatureFinderAlgorithmPickedHelperStructs_1_1MassTrace.html#a45696e11061da82e7cfd8a0ee88f5d8e">OpenMS::FeatureFinderAlgorithmPickedHelperStructs::MassTrace::peaks</a></div><div class="ttdeci">std::vector&lt; std::pair&lt; DoubleReal, const PeakType * &gt; &gt; peaks</div><div class="ttdoc">Contained peaks (pair of RT and pointer to peak) </div><div class="ttdef"><b>Definition:</b> FeatureFinderAlgorithmPickedHelperStructs.h:94</div></div>
<div class="ttc" id="structOpenMS_1_1FeatureFinderAlgorithmPickedHelperStructs_1_1TheoreticalIsotopePattern_html_a511873304a043cc9222285de3a2c2913"><div class="ttname"><a href="structOpenMS_1_1FeatureFinderAlgorithmPickedHelperStructs_1_1TheoreticalIsotopePattern.html#a511873304a043cc9222285de3a2c2913">OpenMS::FeatureFinderAlgorithmPickedHelperStructs::TheoreticalIsotopePattern::optional_end</a></div><div class="ttdeci">Size optional_end</div><div class="ttdoc">Number of optional peaks at the end of the pattern. </div><div class="ttdef"><b>Definition:</b> FeatureFinderAlgorithmPickedHelperStructs.h:284</div></div>
<div class="ttc" id="structOpenMS_1_1FeatureFinderAlgorithmPickedHelperStructs_1_1MassTrace_html_a9e412d0107d500905395b1e24908fca1"><div class="ttname"><a href="structOpenMS_1_1FeatureFinderAlgorithmPickedHelperStructs_1_1MassTrace.html#a9e412d0107d500905395b1e24908fca1">OpenMS::FeatureFinderAlgorithmPickedHelperStructs::MassTrace::getAvgMZ</a></div><div class="ttdeci">DoubleReal getAvgMZ() const </div><div class="ttdoc">Returns the average m/z of all peaks in this trace (weighted by intensity) </div><div class="ttdef"><b>Definition:</b> FeatureFinderAlgorithmPickedHelperStructs.h:129</div></div>
<div class="ttc" id="structOpenMS_1_1FeatureFinderAlgorithmPickedHelperStructs_1_1TheoreticalIsotopePattern_html_abe90dc4ba735b87228bfe913b490f9f2"><div class="ttname"><a href="structOpenMS_1_1FeatureFinderAlgorithmPickedHelperStructs_1_1TheoreticalIsotopePattern.html#abe90dc4ba735b87228bfe913b490f9f2">OpenMS::FeatureFinderAlgorithmPickedHelperStructs::TheoreticalIsotopePattern::trimmed_left</a></div><div class="ttdeci">Size trimmed_left</div><div class="ttdoc">The number of isotopes trimmed on the left side. This is needed to reconstruct the monoisotopic peak...</div><div class="ttdef"><b>Definition:</b> FeatureFinderAlgorithmPickedHelperStructs.h:288</div></div>
<div class="ttc" id="classOpenMS_1_1ConvexHull2D_html_ad84ba51670fc0bd9b6b2091ba27c3013"><div class="ttname"><a href="classOpenMS_1_1ConvexHull2D.html#ad84ba51670fc0bd9b6b2091ba27c3013">OpenMS::ConvexHull2D::addPoints</a></div><div class="ttdeci">void addPoints(const PointArrayType &amp;points)</div></div>
<div class="ttc" id="structOpenMS_1_1FeatureFinderAlgorithmPickedHelperStructs_1_1MassTraces_html_abd839e76d16452338866dd6bf6290c72"><div class="ttname"><a href="structOpenMS_1_1FeatureFinderAlgorithmPickedHelperStructs_1_1MassTraces.html#abd839e76d16452338866dd6bf6290c72">OpenMS::FeatureFinderAlgorithmPickedHelperStructs::MassTraces::getTheoreticalmaxPosition</a></div><div class="ttdeci">Size getTheoreticalmaxPosition() const </div><div class="ttdoc">Returns the theoretical maximum trace index. </div><div class="ttdef"><b>Definition:</b> FeatureFinderAlgorithmPickedHelperStructs.h:195</div></div>
<div class="ttc" id="structOpenMS_1_1FeatureFinderAlgorithmPickedHelperStructs_1_1MassTraces_html_ac342b58a6d6d5e6fae39d3300c37178d"><div class="ttname"><a href="structOpenMS_1_1FeatureFinderAlgorithmPickedHelperStructs_1_1MassTraces.html#ac342b58a6d6d5e6fae39d3300c37178d">OpenMS::FeatureFinderAlgorithmPickedHelperStructs::MassTraces::updateBaseline</a></div><div class="ttdeci">void updateBaseline()</div><div class="ttdoc">Sets the baseline to the lowest contained peak of the trace. </div><div class="ttdef"><b>Definition:</b> FeatureFinderAlgorithmPickedHelperStructs.h:216</div></div>
<div class="ttc" id="Exception_8h_html"><div class="ttname"><a href="Exception_8h.html">Exception.h</a></div></div>
<div class="ttc" id="structOpenMS_1_1FeatureFinderAlgorithmPickedHelperStructs_1_1TheoreticalIsotopePattern_html_ac102a03577b6512164d6e4ff3cf78df0"><div class="ttname"><a href="structOpenMS_1_1FeatureFinderAlgorithmPickedHelperStructs_1_1TheoreticalIsotopePattern.html#ac102a03577b6512164d6e4ff3cf78df0">OpenMS::FeatureFinderAlgorithmPickedHelperStructs::TheoreticalIsotopePattern::intensity</a></div><div class="ttdeci">std::vector&lt; DoubleReal &gt; intensity</div><div class="ttdoc">Vector of intensity contributions. </div><div class="ttdef"><b>Definition:</b> FeatureFinderAlgorithmPickedHelperStructs.h:280</div></div>
<div class="ttc" id="structOpenMS_1_1FeatureFinderAlgorithmPickedHelperStructs_1_1MassTraces_html_adee689cac2b64d7164dbfc3d48110d91"><div class="ttname"><a href="structOpenMS_1_1FeatureFinderAlgorithmPickedHelperStructs_1_1MassTraces.html#adee689cac2b64d7164dbfc3d48110d91">OpenMS::FeatureFinderAlgorithmPickedHelperStructs::MassTraces::getRTBounds</a></div><div class="ttdeci">std::pair&lt; DoubleReal, DoubleReal &gt; getRTBounds() const </div><div class="ttdoc">Returns the RT boundaries of the mass traces. </div><div class="ttdef"><b>Definition:</b> FeatureFinderAlgorithmPickedHelperStructs.h:246</div></div>
<div class="ttc" id="structOpenMS_1_1FeatureFinderAlgorithmPickedHelperStructs_1_1Seed_html_af40104dc784144260a2345e53e5f0305"><div class="ttname"><a href="structOpenMS_1_1FeatureFinderAlgorithmPickedHelperStructs_1_1Seed.html#af40104dc784144260a2345e53e5f0305">OpenMS::FeatureFinderAlgorithmPickedHelperStructs::Seed::peak</a></div><div class="ttdeci">Size peak</div><div class="ttdoc">Peak index. </div><div class="ttdef"><b>Definition:</b> FeatureFinderAlgorithmPickedHelperStructs.h:67</div></div>
<div class="ttc" id="structOpenMS_1_1FeatureFinderAlgorithmPickedHelperStructs_1_1IsotopePattern_html_aec70588359757e4c6f30670fc74d2ebe"><div class="ttname"><a href="structOpenMS_1_1FeatureFinderAlgorithmPickedHelperStructs_1_1IsotopePattern.html#aec70588359757e4c6f30670fc74d2ebe">OpenMS::FeatureFinderAlgorithmPickedHelperStructs::IsotopePattern::peak</a></div><div class="ttdeci">std::vector&lt; SignedSize &gt; peak</div><div class="ttdoc">Peak index (-1 if peak was not found, -2 if it was removed to improve the isotope fit) ...</div><div class="ttdef"><b>Definition:</b> FeatureFinderAlgorithmPickedHelperStructs.h:303</div></div>
<div class="ttc" id="String_8h_html"><div class="ttname"><a href="String_8h.html">String.h</a></div></div>
<div class="ttc" id="structOpenMS_1_1FeatureFinderAlgorithmPickedHelperStructs_1_1Seed_html_a2bf8eeb17dafb3d8ed1b08810fba2440"><div class="ttname"><a href="structOpenMS_1_1FeatureFinderAlgorithmPickedHelperStructs_1_1Seed.html#a2bf8eeb17dafb3d8ed1b08810fba2440">OpenMS::FeatureFinderAlgorithmPickedHelperStructs::Seed::intensity</a></div><div class="ttdeci">Real intensity</div><div class="ttdoc">Intensity. </div><div class="ttdef"><b>Definition:</b> FeatureFinderAlgorithmPickedHelperStructs.h:69</div></div>
<div class="ttc" id="structOpenMS_1_1FeatureFinderAlgorithmPickedHelperStructs_1_1MassTrace_html"><div class="ttname"><a href="structOpenMS_1_1FeatureFinderAlgorithmPickedHelperStructs_1_1MassTrace.html">OpenMS::FeatureFinderAlgorithmPickedHelperStructs::MassTrace</a></div><div class="ttdoc">Helper struct for mass traces used in FeatureFinderAlgorithmPicked. </div><div class="ttdef"><b>Definition:</b> FeatureFinderAlgorithmPickedHelperStructs.h:83</div></div>
<div class="ttc" id="structOpenMS_1_1FeatureFinderAlgorithmPickedHelperStructs_1_1Seed_html"><div class="ttname"><a href="structOpenMS_1_1FeatureFinderAlgorithmPickedHelperStructs_1_1Seed.html">OpenMS::FeatureFinderAlgorithmPickedHelperStructs::Seed</a></div><div class="ttdoc">Helper structure for seeds used in FeatureFinderAlgorithmPicked. </div><div class="ttdef"><b>Definition:</b> FeatureFinderAlgorithmPickedHelperStructs.h:62</div></div>
</div><!-- fragment --></div><!-- contents -->
<HR style="height:1px; border:none; border-top:1px solid #c0c0c0;">
<TABLE width="100%" border="0">
<TR>
<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 11:19:13 using doxygen 1.8.5</font></TD>
</TR>
</TABLE>
</BODY>
</HTML>