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<li class="navelem"><a class="el" href="dir_e770f0cf77e550adde3f44739ef529fe.html">include</a></li><li class="navelem"><a class="el" href="dir_6a63c4937d4da007e55fff5dcf71e0f8.html">OpenMS</a></li><li class="navelem"><a class="el" href="dir_c97e59dcfbe99554cb41e1ea312f2f72.html">DATASTRUCTURES</a></li> </ul>
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<div class="title">MassExplainer.h</div> </div>
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27
<a href="MassExplainer_8h.html">Go to the documentation of this file.</a><div class="fragment"><div class="line"><a name="l00001"></a><span class="lineno"> 1</span> <span class="comment">// --------------------------------------------------------------------------</span></div>
28
<div class="line"><a name="l00002"></a><span class="lineno"> 2</span> <span class="comment">// OpenMS -- Open-Source Mass Spectrometry</span></div>
29
<div class="line"><a name="l00003"></a><span class="lineno"> 3</span> <span class="comment">// --------------------------------------------------------------------------</span></div>
30
<div class="line"><a name="l00004"></a><span class="lineno"> 4</span> <span class="comment">// Copyright The OpenMS Team -- Eberhard Karls University Tuebingen,</span></div>
31
<div class="line"><a name="l00005"></a><span class="lineno"> 5</span> <span class="comment">// ETH Zurich, and Freie Universitaet Berlin 2002-2013.</span></div>
32
<div class="line"><a name="l00006"></a><span class="lineno"> 6</span> <span class="comment">//</span></div>
33
<div class="line"><a name="l00007"></a><span class="lineno"> 7</span> <span class="comment">// This software is released under a three-clause BSD license:</span></div>
34
<div class="line"><a name="l00008"></a><span class="lineno"> 8</span> <span class="comment">// * Redistributions of source code must retain the above copyright</span></div>
35
<div class="line"><a name="l00009"></a><span class="lineno"> 9</span> <span class="comment">// notice, this list of conditions and the following disclaimer.</span></div>
36
<div class="line"><a name="l00010"></a><span class="lineno"> 10</span> <span class="comment">// * Redistributions in binary form must reproduce the above copyright</span></div>
37
<div class="line"><a name="l00011"></a><span class="lineno"> 11</span> <span class="comment">// notice, this list of conditions and the following disclaimer in the</span></div>
38
<div class="line"><a name="l00012"></a><span class="lineno"> 12</span> <span class="comment">// documentation and/or other materials provided with the distribution.</span></div>
39
<div class="line"><a name="l00013"></a><span class="lineno"> 13</span> <span class="comment">// * Neither the name of any author or any participating institution</span></div>
40
<div class="line"><a name="l00014"></a><span class="lineno"> 14</span> <span class="comment">// may be used to endorse or promote products derived from this software</span></div>
41
<div class="line"><a name="l00015"></a><span class="lineno"> 15</span> <span class="comment">// without specific prior written permission.</span></div>
42
<div class="line"><a name="l00016"></a><span class="lineno"> 16</span> <span class="comment">// For a full list of authors, refer to the file AUTHORS.</span></div>
43
<div class="line"><a name="l00017"></a><span class="lineno"> 17</span> <span class="comment">// --------------------------------------------------------------------------</span></div>
44
<div class="line"><a name="l00018"></a><span class="lineno"> 18</span> <span class="comment">// THIS SOFTWARE IS PROVIDED BY THE COPYRIGHT HOLDERS AND CONTRIBUTORS "AS IS"</span></div>
45
<div class="line"><a name="l00019"></a><span class="lineno"> 19</span> <span class="comment">// AND ANY EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT LIMITED TO, THE</span></div>
46
<div class="line"><a name="l00020"></a><span class="lineno"> 20</span> <span class="comment">// IMPLIED WARRANTIES OF MERCHANTABILITY AND FITNESS FOR A PARTICULAR PURPOSE</span></div>
47
<div class="line"><a name="l00021"></a><span class="lineno"> 21</span> <span class="comment">// ARE DISCLAIMED. IN NO EVENT SHALL ANY OF THE AUTHORS OR THE CONTRIBUTING</span></div>
48
<div class="line"><a name="l00022"></a><span class="lineno"> 22</span> <span class="comment">// INSTITUTIONS BE LIABLE FOR ANY DIRECT, INDIRECT, INCIDENTAL, SPECIAL,</span></div>
49
<div class="line"><a name="l00023"></a><span class="lineno"> 23</span> <span class="comment">// EXEMPLARY, OR CONSEQUENTIAL DAMAGES (INCLUDING, BUT NOT LIMITED TO,</span></div>
50
<div class="line"><a name="l00024"></a><span class="lineno"> 24</span> <span class="comment">// PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES; LOSS OF USE, DATA, OR PROFITS;</span></div>
51
<div class="line"><a name="l00025"></a><span class="lineno"> 25</span> <span class="comment">// OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND ON ANY THEORY OF LIABILITY,</span></div>
52
<div class="line"><a name="l00026"></a><span class="lineno"> 26</span> <span class="comment">// WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT (INCLUDING NEGLIGENCE OR</span></div>
53
<div class="line"><a name="l00027"></a><span class="lineno"> 27</span> <span class="comment">// OTHERWISE) ARISING IN ANY WAY OUT OF THE USE OF THIS SOFTWARE, EVEN IF</span></div>
54
<div class="line"><a name="l00028"></a><span class="lineno"> 28</span> <span class="comment">// ADVISED OF THE POSSIBILITY OF SUCH DAMAGE.</span></div>
55
<div class="line"><a name="l00029"></a><span class="lineno"> 29</span> <span class="comment">//</span></div>
56
<div class="line"><a name="l00030"></a><span class="lineno"> 30</span> <span class="comment">// --------------------------------------------------------------------------</span></div>
57
<div class="line"><a name="l00031"></a><span class="lineno"> 31</span> <span class="comment">// $Maintainer: Chris Bielow $</span></div>
58
<div class="line"><a name="l00032"></a><span class="lineno"> 32</span> <span class="comment">// $Authors: Chris Bielow $</span></div>
59
<div class="line"><a name="l00033"></a><span class="lineno"> 33</span> <span class="comment">// --------------------------------------------------------------------------</span></div>
60
<div class="line"><a name="l00034"></a><span class="lineno"> 34</span> </div>
61
<div class="line"><a name="l00035"></a><span class="lineno"> 35</span> <span class="preprocessor">#ifndef OPENMS_DATASTRUCTURES_MASSEXPLAINER_H</span></div>
62
<div class="line"><a name="l00036"></a><span class="lineno"> 36</span> <span class="preprocessor"></span><span class="preprocessor">#define OPENMS_DATASTRUCTURES_MASSEXPLAINER_H</span></div>
63
<div class="line"><a name="l00037"></a><span class="lineno"> 37</span> <span class="preprocessor"></span></div>
64
<div class="line"><a name="l00038"></a><span class="lineno"> 38</span> <span class="preprocessor">#include <<a class="code" href="Adduct_8h.html">OpenMS/DATASTRUCTURES/Adduct.h</a>></span></div>
65
<div class="line"><a name="l00039"></a><span class="lineno"> 39</span> </div>
66
<div class="line"><a name="l00040"></a><span class="lineno"> 40</span> <span class="keyword">namespace </span>OpenMS</div>
67
<div class="line"><a name="l00041"></a><span class="lineno"> 41</span> {</div>
68
<div class="line"><a name="l00042"></a><span class="lineno"> 42</span>  <span class="keyword">class </span>Compomer;</div>
69
<div class="line"><a name="l00043"></a><span class="lineno"> 43</span>  <span class="keyword">class </span>Adduct;</div>
70
<div class="line"><a name="l00044"></a><span class="lineno"> 44</span> </div>
71
<div class="line"><a name="l00051"></a><span class="lineno"><a class="line" href="classOpenMS_1_1MassExplainer.html"> 51</a></span>  <span class="keyword">class </span>OPENMS_DLLAPI <a class="code" href="classOpenMS_1_1MassExplainer.html">MassExplainer</a></div>
72
<div class="line"><a name="l00052"></a><span class="lineno"> 52</span>  {</div>
73
<div class="line"><a name="l00053"></a><span class="lineno"> 53</span> </div>
74
<div class="line"><a name="l00054"></a><span class="lineno"> 54</span> <span class="keyword">public</span>:</div>
75
<div class="line"><a name="l00055"></a><span class="lineno"> 55</span> </div>
76
<div class="line"><a name="l00056"></a><span class="lineno"><a class="line" href="classOpenMS_1_1MassExplainer.html#af4f87e770c56cc4f47fd47833add8ba3"> 56</a></span>  <span class="keyword">typedef</span> <a class="code" href="classOpenMS_1_1Adduct.html#ac491cec851c0e0300106ac3bc8bfa460">Adduct::AdductsType</a> <a class="code" href="classOpenMS_1_1MassExplainer.html#af4f87e770c56cc4f47fd47833add8ba3">AdductsType</a>; <span class="comment">//vector<Adduct></span></div>
77
<div class="line"><a name="l00057"></a><span class="lineno"><a class="line" href="classOpenMS_1_1MassExplainer.html#af747320fef909fb49f867e2f20f1e07d"> 57</a></span>  <span class="keyword">typedef</span> std::vector<Compomer>::const_iterator <a class="code" href="classOpenMS_1_1MassExplainer.html#af747320fef909fb49f867e2f20f1e07d">CompomerIterator</a>;</div>
78
<div class="line"><a name="l00058"></a><span class="lineno"> 58</span> </div>
79
<div class="line"><a name="l00060"></a><span class="lineno"> 60</span> </div>
80
<div class="line"><a name="l00061"></a><span class="lineno"> 61</span>  <a class="code" href="classOpenMS_1_1MassExplainer.html">MassExplainer</a>();</div>
81
<div class="line"><a name="l00063"></a><span class="lineno"> 63</span> </div>
82
<div class="line"><a name="l00065"></a><span class="lineno"> 65</span>  <a class="code" href="classOpenMS_1_1MassExplainer.html">MassExplainer</a>(<a class="code" href="classOpenMS_1_1MassExplainer.html#af4f87e770c56cc4f47fd47833add8ba3">AdductsType</a> adduct_base);</div>
83
<div class="line"><a name="l00066"></a><span class="lineno"> 66</span> </div>
84
<div class="line"><a name="l00068"></a><span class="lineno"> 68</span>  <a class="code" href="classOpenMS_1_1MassExplainer.html">MassExplainer</a>(<a class="code" href="group__Concept.html#ga7cc214a236ad3bb6ad435bdcf5262a3f">Int</a> q_min, <a class="code" href="group__Concept.html#ga7cc214a236ad3bb6ad435bdcf5262a3f">Int</a> q_max, <a class="code" href="group__Concept.html#ga7cc214a236ad3bb6ad435bdcf5262a3f">Int</a> max_span, <a class="code" href="classdouble.html">DoubleReal</a> thresh_logp);</div>
85
<div class="line"><a name="l00069"></a><span class="lineno"> 69</span> </div>
86
<div class="line"><a name="l00071"></a><span class="lineno"> 71</span>  <a class="code" href="classOpenMS_1_1MassExplainer.html">MassExplainer</a>(<a class="code" href="classOpenMS_1_1MassExplainer.html#af4f87e770c56cc4f47fd47833add8ba3">AdductsType</a> adduct_base, <a class="code" href="group__Concept.html#ga7cc214a236ad3bb6ad435bdcf5262a3f">Int</a> q_min, <a class="code" href="group__Concept.html#ga7cc214a236ad3bb6ad435bdcf5262a3f">Int</a> q_max, <a class="code" href="group__Concept.html#ga7cc214a236ad3bb6ad435bdcf5262a3f">Int</a> max_span, <a class="code" href="classdouble.html">DoubleReal</a> thresh_logp, <a class="code" href="group__Concept.html#gaf9ecec2d692138fab9167164a457cbd4">Size</a> max_neutrals);</div>
87
<div class="line"><a name="l00072"></a><span class="lineno"> 72</span> </div>
88
<div class="line"><a name="l00073"></a><span class="lineno"> 73</span> </div>
89
<div class="line"><a name="l00074"></a><span class="lineno"> 74</span> <span class="keyword">private</span>:</div>
90
<div class="line"><a name="l00077"></a><span class="lineno"> 77</span>  <span class="keywordtype">void</span> init_(<span class="keywordtype">bool</span> init_thresh_p);</div>
91
<div class="line"><a name="l00078"></a><span class="lineno"> 78</span> <span class="keyword">public</span>:</div>
92
<div class="line"><a name="l00080"></a><span class="lineno"> 80</span>  <a class="code" href="classOpenMS_1_1MassExplainer.html">MassExplainer</a> & operator=(<span class="keyword">const</span> <a class="code" href="classOpenMS_1_1MassExplainer.html">MassExplainer</a> & rhs);</div>
93
<div class="line"><a name="l00081"></a><span class="lineno"> 81</span> </div>
94
<div class="line"><a name="l00083"></a><span class="lineno"> 83</span>  <span class="keyword">virtual</span> ~<a class="code" href="classOpenMS_1_1MassExplainer.html">MassExplainer</a>();</div>
95
<div class="line"><a name="l00085"></a><span class="lineno"> 85</span> </div>
96
<div class="line"><a name="l00086"></a><span class="lineno"> 86</span> </div>
97
<div class="line"><a name="l00088"></a><span class="lineno"> 88</span>  <span class="keywordtype">void</span> compute();</div>
98
<div class="line"><a name="l00089"></a><span class="lineno"> 89</span> </div>
99
<div class="line"><a name="l00090"></a><span class="lineno"> 90</span> </div>
100
<div class="line"><a name="l00091"></a><span class="lineno"> 91</span>  <span class="comment">//@name Accessors</span></div>
101
<div class="line"><a name="l00093"></a><span class="lineno"> 93</span> <span class="comment"></span></div>
102
<div class="line"><a name="l00095"></a><span class="lineno"> 95</span>  <span class="keywordtype">void</span> setAdductBase(<a class="code" href="classOpenMS_1_1MassExplainer.html#af4f87e770c56cc4f47fd47833add8ba3">AdductsType</a> adduct_base);</div>
103
<div class="line"><a name="l00097"></a><span class="lineno"> 97</span>  <a class="code" href="classOpenMS_1_1MassExplainer.html#af4f87e770c56cc4f47fd47833add8ba3">AdductsType</a> getAdductBase() <span class="keyword">const</span>;</div>
104
<div class="line"><a name="l00098"></a><span class="lineno"> 98</span> </div>
105
<div class="line"><a name="l00100"></a><span class="lineno"> 100</span>  <span class="keyword">const</span> <a class="code" href="classOpenMS_1_1Compomer.html">Compomer</a> & getCompomerById(<a class="code" href="group__Concept.html#gaf9ecec2d692138fab9167164a457cbd4">Size</a> <span class="keywordtype">id</span>) <span class="keyword">const</span>;</div>
106
<div class="line"><a name="l00102"></a><span class="lineno"> 102</span> </div>
107
<div class="line"><a name="l00103"></a><span class="lineno"> 103</span> </div>
108
<div class="line"><a name="l00111"></a><span class="lineno"> 111</span>  <a class="code" href="group__Concept.html#gae113cb41304c6692c7bf5d0624dc6f0f">SignedSize</a> query(<span class="keyword">const</span> <a class="code" href="group__Concept.html#ga7cc214a236ad3bb6ad435bdcf5262a3f">Int</a> net_charge,</div>
109
<div class="line"><a name="l00112"></a><span class="lineno"> 112</span>  <span class="keyword">const</span> <span class="keywordtype">float</span> mass_to_explain,</div>
110
<div class="line"><a name="l00113"></a><span class="lineno"> 113</span>  <span class="keyword">const</span> <span class="keywordtype">float</span> mass_delta,</div>
111
<div class="line"><a name="l00114"></a><span class="lineno"> 114</span>  <span class="keyword">const</span> <span class="keywordtype">float</span> thresh_log_p,</div>
112
<div class="line"><a name="l00115"></a><span class="lineno"> 115</span>  std::vector<Compomer>::const_iterator & firstExplanation,</div>
113
<div class="line"><a name="l00116"></a><span class="lineno"> 116</span>  std::vector<Compomer>::const_iterator & lastExplanation) <span class="keyword">const</span>;</div>
114
<div class="line"><a name="l00117"></a><span class="lineno"> 117</span> <span class="keyword">protected</span>:</div>
115
<div class="line"><a name="l00118"></a><span class="lineno"> 118</span> </div>
116
<div class="line"><a name="l00120"></a><span class="lineno"> 120</span>  <span class="keywordtype">bool</span> compomerValid_(<span class="keyword">const</span> <a class="code" href="classOpenMS_1_1Compomer.html">Compomer</a> & cmp);</div>
117
<div class="line"><a name="l00121"></a><span class="lineno"> 121</span> </div>
118
<div class="line"><a name="l00123"></a><span class="lineno"> 123</span>  <a class="code" href="classOpenMS_1_1Adduct.html">Adduct</a> createAdduct_(<span class="keyword">const</span> <a class="code" href="classOpenMS_1_1String.html">String</a> & formula, <span class="keyword">const</span> <a class="code" href="group__Concept.html#ga7cc214a236ad3bb6ad435bdcf5262a3f">Int</a> charge, <span class="keyword">const</span> <a class="code" href="classdouble.html">DoubleReal</a> p) <span class="keyword">const</span>;</div>
119
<div class="line"><a name="l00124"></a><span class="lineno"> 124</span> </div>
120
<div class="line"><a name="l00126"></a><span class="lineno"><a class="line" href="classOpenMS_1_1MassExplainer.html#aee12ae331dd102ab571ab5f810b6c367"> 126</a></span>  std::vector<Compomer> <a class="code" href="classOpenMS_1_1MassExplainer.html#aee12ae331dd102ab571ab5f810b6c367">explanations_</a>;</div>
121
<div class="line"><a name="l00128"></a><span class="lineno"><a class="line" href="classOpenMS_1_1MassExplainer.html#a9eaaeb73367a71340a9bd9e8af68dd7d"> 128</a></span>  <a class="code" href="classOpenMS_1_1MassExplainer.html#af4f87e770c56cc4f47fd47833add8ba3">AdductsType</a> <a class="code" href="classOpenMS_1_1MassExplainer.html#a9eaaeb73367a71340a9bd9e8af68dd7d">adduct_base_</a>;</div>
122
<div class="line"><a name="l00130"></a><span class="lineno"><a class="line" href="classOpenMS_1_1MassExplainer.html#a4b80615f4385e1a32edc095968558447"> 130</a></span>  <a class="code" href="group__Concept.html#ga7cc214a236ad3bb6ad435bdcf5262a3f">Int</a> <a class="code" href="classOpenMS_1_1MassExplainer.html#a4b80615f4385e1a32edc095968558447">q_min_</a>;</div>
123
<div class="line"><a name="l00132"></a><span class="lineno"><a class="line" href="classOpenMS_1_1MassExplainer.html#a3ada89b0e479f94cad2b5e80176150aa"> 132</a></span>  <a class="code" href="group__Concept.html#ga7cc214a236ad3bb6ad435bdcf5262a3f">Int</a> <a class="code" href="classOpenMS_1_1MassExplainer.html#a3ada89b0e479f94cad2b5e80176150aa">q_max_</a>;</div>
124
<div class="line"><a name="l00134"></a><span class="lineno"><a class="line" href="classOpenMS_1_1MassExplainer.html#ad0a914d09e38f29673071401a185f35d"> 134</a></span>  <a class="code" href="group__Concept.html#ga7cc214a236ad3bb6ad435bdcf5262a3f">Int</a> <a class="code" href="classOpenMS_1_1MassExplainer.html#ad0a914d09e38f29673071401a185f35d">max_span_</a>;</div>
125
<div class="line"><a name="l00136"></a><span class="lineno"><a class="line" href="classOpenMS_1_1MassExplainer.html#aec74a9086ba05f049bb715f265b582e7"> 136</a></span>  <a class="code" href="classdouble.html">DoubleReal</a> <a class="code" href="classOpenMS_1_1MassExplainer.html#aec74a9086ba05f049bb715f265b582e7">thresh_p_</a>;</div>
126
<div class="line"><a name="l00138"></a><span class="lineno"><a class="line" href="classOpenMS_1_1MassExplainer.html#ac7f6f2b27f2244e9d484dade3a7d4593"> 138</a></span>  <a class="code" href="group__Concept.html#gaf9ecec2d692138fab9167164a457cbd4">Size</a> <a class="code" href="classOpenMS_1_1MassExplainer.html#ac7f6f2b27f2244e9d484dade3a7d4593">max_neutrals_</a>;</div>
127
<div class="line"><a name="l00139"></a><span class="lineno"> 139</span> </div>
128
<div class="line"><a name="l00140"></a><span class="lineno"> 140</span>  };</div>
129
<div class="line"><a name="l00141"></a><span class="lineno"> 141</span> </div>
130
<div class="line"><a name="l00142"></a><span class="lineno"> 142</span> </div>
131
<div class="line"><a name="l00143"></a><span class="lineno"> 143</span> } <span class="comment">// namespace OpenMS</span></div>
132
<div class="line"><a name="l00144"></a><span class="lineno"> 144</span> </div>
133
<div class="line"><a name="l00145"></a><span class="lineno"> 145</span> <span class="preprocessor">#endif // OPENMS_DATASTRUCTURES_MASSEXPLAINER_H</span></div>
134
<div class="ttc" id="classOpenMS_1_1String_html"><div class="ttname"><a href="classOpenMS_1_1String.html">OpenMS::String</a></div><div class="ttdoc">A more convenient string class. </div><div class="ttdef"><b>Definition:</b> String.h:56</div></div>
135
<div class="ttc" id="classOpenMS_1_1Compomer_html"><div class="ttname"><a href="classOpenMS_1_1Compomer.html">OpenMS::Compomer</a></div><div class="ttdoc">Holds information on an edge connecting two features from a (putative) charge ladder. </div><div class="ttdef"><b>Definition:</b> Compomer.h:58</div></div>
136
<div class="ttc" id="classdouble_html"><div class="ttname"><a href="classdouble.html">double</a></div></div>
137
<div class="ttc" id="group__Concept_html_gae113cb41304c6692c7bf5d0624dc6f0f"><div class="ttname"><a href="group__Concept.html#gae113cb41304c6692c7bf5d0624dc6f0f">OpenMS::SignedSize</a></div><div class="ttdeci">ptrdiff_t SignedSize</div><div class="ttdoc">Signed Size type e.g. used as pointer difference. </div><div class="ttdef"><b>Definition:</b> Types.h:151</div></div>
138
<div class="ttc" id="classOpenMS_1_1Adduct_html_ac491cec851c0e0300106ac3bc8bfa460"><div class="ttname"><a href="classOpenMS_1_1Adduct.html#ac491cec851c0e0300106ac3bc8bfa460">OpenMS::Adduct::AdductsType</a></div><div class="ttdeci">std::vector< Adduct > AdductsType</div><div class="ttdef"><b>Definition:</b> Adduct.h:50</div></div>
139
<div class="ttc" id="classOpenMS_1_1MassExplainer_html_ac7f6f2b27f2244e9d484dade3a7d4593"><div class="ttname"><a href="classOpenMS_1_1MassExplainer.html#ac7f6f2b27f2244e9d484dade3a7d4593">OpenMS::MassExplainer::max_neutrals_</a></div><div class="ttdeci">Size max_neutrals_</div><div class="ttdoc">Maximum number of neutral(q=0) adducts. </div><div class="ttdef"><b>Definition:</b> MassExplainer.h:138</div></div>
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<div class="ttc" id="classOpenMS_1_1MassExplainer_html_aee12ae331dd102ab571ab5f810b6c367"><div class="ttname"><a href="classOpenMS_1_1MassExplainer.html#aee12ae331dd102ab571ab5f810b6c367">OpenMS::MassExplainer::explanations_</a></div><div class="ttdeci">std::vector< Compomer > explanations_</div><div class="ttdoc">store possible explanations (as formula) for a certain ChargeDifference and MassDifference ...</div><div class="ttdef"><b>Definition:</b> MassExplainer.h:126</div></div>
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<div class="ttc" id="classOpenMS_1_1MassExplainer_html"><div class="ttname"><a href="classOpenMS_1_1MassExplainer.html">OpenMS::MassExplainer</a></div><div class="ttdoc">computes empirical formulas for given mass differences using a set of allowed elements ...</div><div class="ttdef"><b>Definition:</b> MassExplainer.h:51</div></div>
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<div class="ttc" id="Adduct_8h_html"><div class="ttname"><a href="Adduct_8h.html">Adduct.h</a></div></div>
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<div class="ttc" id="classOpenMS_1_1Adduct_html"><div class="ttname"><a href="classOpenMS_1_1Adduct.html">OpenMS::Adduct</a></div><div class="ttdef"><b>Definition:</b> Adduct.h:46</div></div>
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<div class="ttc" id="classOpenMS_1_1MassExplainer_html_af747320fef909fb49f867e2f20f1e07d"><div class="ttname"><a href="classOpenMS_1_1MassExplainer.html#af747320fef909fb49f867e2f20f1e07d">OpenMS::MassExplainer::CompomerIterator</a></div><div class="ttdeci">std::vector< Compomer >::const_iterator CompomerIterator</div><div class="ttdef"><b>Definition:</b> MassExplainer.h:57</div></div>
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<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>
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<div class="ttc" id="classOpenMS_1_1MassExplainer_html_aec74a9086ba05f049bb715f265b582e7"><div class="ttname"><a href="classOpenMS_1_1MassExplainer.html#aec74a9086ba05f049bb715f265b582e7">OpenMS::MassExplainer::thresh_p_</a></div><div class="ttdeci">DoubleReal thresh_p_</div><div class="ttdoc">minimum required probability of a compound (all other compounds are discarded) </div><div class="ttdef"><b>Definition:</b> MassExplainer.h:136</div></div>
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<div class="ttc" id="classOpenMS_1_1MassExplainer_html_ad0a914d09e38f29673071401a185f35d"><div class="ttname"><a href="classOpenMS_1_1MassExplainer.html#ad0a914d09e38f29673071401a185f35d">OpenMS::MassExplainer::max_span_</a></div><div class="ttdeci">Int max_span_</div><div class="ttdoc">maximal span (in terms of charge) for co-features, e.g. a cluster with q={3,6} has span=4 ...</div><div class="ttdef"><b>Definition:</b> MassExplainer.h:134</div></div>
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<div class="ttc" id="classOpenMS_1_1MassExplainer_html_a3ada89b0e479f94cad2b5e80176150aa"><div class="ttname"><a href="classOpenMS_1_1MassExplainer.html#a3ada89b0e479f94cad2b5e80176150aa">OpenMS::MassExplainer::q_max_</a></div><div class="ttdeci">Int q_max_</div><div class="ttdoc">maximal expected charge </div><div class="ttdef"><b>Definition:</b> MassExplainer.h:132</div></div>
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<div class="ttc" id="classOpenMS_1_1MassExplainer_html_a9eaaeb73367a71340a9bd9e8af68dd7d"><div class="ttname"><a href="classOpenMS_1_1MassExplainer.html#a9eaaeb73367a71340a9bd9e8af68dd7d">OpenMS::MassExplainer::adduct_base_</a></div><div class="ttdeci">AdductsType adduct_base_</div><div class="ttdoc">all allowed adducts, whose combination explains the mass difference </div><div class="ttdef"><b>Definition:</b> MassExplainer.h:128</div></div>
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<div class="ttc" id="classOpenMS_1_1MassExplainer_html_af4f87e770c56cc4f47fd47833add8ba3"><div class="ttname"><a href="classOpenMS_1_1MassExplainer.html#af4f87e770c56cc4f47fd47833add8ba3">OpenMS::MassExplainer::AdductsType</a></div><div class="ttdeci">Adduct::AdductsType AdductsType</div><div class="ttdef"><b>Definition:</b> MassExplainer.h:56</div></div>
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<div class="ttc" id="group__Concept_html_ga7cc214a236ad3bb6ad435bdcf5262a3f"><div class="ttname"><a href="group__Concept.html#ga7cc214a236ad3bb6ad435bdcf5262a3f">OpenMS::Int</a></div><div class="ttdeci">int Int</div><div class="ttdoc">Signed integer type. </div><div class="ttdef"><b>Definition:</b> Types.h:100</div></div>
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<div class="ttc" id="classOpenMS_1_1MassExplainer_html_a4b80615f4385e1a32edc095968558447"><div class="ttname"><a href="classOpenMS_1_1MassExplainer.html#a4b80615f4385e1a32edc095968558447">OpenMS::MassExplainer::q_min_</a></div><div class="ttdeci">Int q_min_</div><div class="ttdoc">minimal expected charge </div><div class="ttdef"><b>Definition:</b> MassExplainer.h:130</div></div>
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<TD><font color="#c0c0c0">OpenMS / TOPP release 1.11.1</font></TD>
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<TD align="right"><font color="#c0c0c0">Documentation generated on Thu Nov 14 2013 11:19:16 using doxygen 1.8.5</font></TD>
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