File: functions_func_0x61.shtml

package info (click to toggle)
openbabel 2.3.2%2Bdfsg-2
  • links: PTS, VCS
  • area: main
  • in suites: jessie, jessie-kfreebsd
  • size: 75,308 kB
  • ctags: 41,952
  • sloc: cpp: 321,252; ansic: 89,228; python: 7,262; perl: 6,418; pascal: 793; sh: 194; xml: 97; ruby: 55; makefile: 47; java: 23
file content (306 lines) | stat: -rw-r--r-- 16,394 bytes parent folder | download | duplicates (3)
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
<!DOCTYPE HTML PUBLIC "-//W3C//DTD HTML 4.01 Transitional//EN">
<html>
<head><meta http-equiv="Content-Type" content="text/html;charset=utf-8">
<title>Class Members - Functions</title>
<link href="/site.css" rel="stylesheet" type="text/css">
<link href="doxygen.css" rel="stylesheet" type="text/css">
<link href="tabs.css" rel="stylesheet" type="text/css">
<script type="text/javascript" src="search/search.js"></script>
<link href="search/search.css" rel="stylesheet" type="text/css"/>
</head>

<body>

<!--#include file="header.html" -->
<!-- Generated by Doxygen 1.7.5.1 -->
<script type="text/javascript">
var searchBox = new SearchBox("searchBox", "search",false,'Search');
</script>
  <div id="navrow1" class="tabs">
    <ul class="tablist">
      <li><a href="index.shtml"><span>Main&#160;Page</span></a></li>
      <li><a href="pages.shtml"><span>Related&#160;Pages</span></a></li>
      <li><a href="modules.shtml"><span>Modules</span></a></li>
      <li><a href="namespaces.shtml"><span>Namespaces</span></a></li>
      <li class="current"><a href="annotated.shtml"><span>Classes</span></a></li>
      <li><a href="files.shtml"><span>Files</span></a></li>
      <li><a href="examples.shtml"><span>Examples</span></a></li>
      <li>
        <div id="MSearchBox" class="MSearchBoxInactive">
        <span class="left">
          <img id="MSearchSelect" src="search/mag_sel.png"
               onmouseover="return searchBox.OnSearchSelectShow()"
               onmouseout="return searchBox.OnSearchSelectHide()"
               alt=""/>
          <input type="text" id="MSearchField" value="Search" accesskey="S"
               onfocus="searchBox.OnSearchFieldFocus(true)" 
               onblur="searchBox.OnSearchFieldFocus(false)" 
               onkeyup="searchBox.OnSearchFieldChange(event)"/>
          </span><span class="right">
            <a id="MSearchClose" href="javascript:searchBox.CloseResultsWindow()"><img id="MSearchCloseImg" border="0" src="search/close.png" alt=""/></a>
          </span>
        </div>
      </li>
    </ul>
  </div>
  <div id="navrow2" class="tabs2">
    <ul class="tablist">
      <li><a href="annotated.shtml"><span>Class&#160;List</span></a></li>
      <li><a href="classes.shtml"><span>Class&#160;Index</span></a></li>
      <li><a href="hierarchy.shtml"><span>Class&#160;Hierarchy</span></a></li>
      <li class="current"><a href="functions.shtml"><span>Class&#160;Members</span></a></li>
    </ul>
  </div>
  <div id="navrow3" class="tabs2">
    <ul class="tablist">
      <li><a href="functions.shtml"><span>All</span></a></li>
      <li class="current"><a href="functions_func.shtml"><span>Functions</span></a></li>
      <li><a href="functions_vars.shtml"><span>Variables</span></a></li>
      <li><a href="functions_type.shtml"><span>Typedefs</span></a></li>
      <li><a href="functions_enum.shtml"><span>Enumerations</span></a></li>
      <li><a href="functions_eval.shtml"><span>Enumerator</span></a></li>
      <li><a href="functions_rela.shtml"><span>Related&#160;Functions</span></a></li>
    </ul>
  </div>
  <div id="navrow4" class="tabs3">
    <ul class="tablist">
      <li><a href="functions_func.shtml#index__"><span>_</span></a></li>
      <li class="current"><a href="functions_func_0x61.shtml#index_a"><span>a</span></a></li>
      <li><a href="functions_func_0x62.shtml#index_b"><span>b</span></a></li>
      <li><a href="functions_func_0x63.shtml#index_c"><span>c</span></a></li>
      <li><a href="functions_func_0x64.shtml#index_d"><span>d</span></a></li>
      <li><a href="functions_func_0x65.shtml#index_e"><span>e</span></a></li>
      <li><a href="functions_func_0x66.shtml#index_f"><span>f</span></a></li>
      <li><a href="functions_func_0x67.shtml#index_g"><span>g</span></a></li>
      <li><a href="functions_func_0x68.shtml#index_h"><span>h</span></a></li>
      <li><a href="functions_func_0x69.shtml#index_i"><span>i</span></a></li>
      <li><a href="functions_func_0x6a.shtml#index_j"><span>j</span></a></li>
      <li><a href="functions_func_0x6b.shtml#index_k"><span>k</span></a></li>
      <li><a href="functions_func_0x6c.shtml#index_l"><span>l</span></a></li>
      <li><a href="functions_func_0x6d.shtml#index_m"><span>m</span></a></li>
      <li><a href="functions_func_0x6e.shtml#index_n"><span>n</span></a></li>
      <li><a href="functions_func_0x6f.shtml#index_o"><span>o</span></a></li>
      <li><a href="functions_func_0x70.shtml#index_p"><span>p</span></a></li>
      <li><a href="functions_func_0x71.shtml#index_q"><span>q</span></a></li>
      <li><a href="functions_func_0x72.shtml#index_r"><span>r</span></a></li>
      <li><a href="functions_func_0x73.shtml#index_s"><span>s</span></a></li>
      <li><a href="functions_func_0x74.shtml#index_t"><span>t</span></a></li>
      <li><a href="functions_func_0x75.shtml#index_u"><span>u</span></a></li>
      <li><a href="functions_func_0x76.shtml#index_v"><span>v</span></a></li>
      <li><a href="functions_func_0x77.shtml#index_w"><span>w</span></a></li>
      <li><a href="functions_func_0x78.shtml#index_x"><span>x</span></a></li>
      <li><a href="functions_func_0x79.shtml#index_y"><span>y</span></a></li>
      <li><a href="functions_func_0x7a.shtml#index_z"><span>z</span></a></li>
      <li><a href="functions_func_0x7e.shtml#index_0x7e"><span>~</span></a></li>
    </ul>
  </div>
</div>
<div class="contents">
&#160;

<h3><a class="anchor" id="index_a"></a>- a -</h3><ul>
<li>Add()
: <a class="el" href="classOpenBabel_1_1OBAtomClassData.shtml#a515d0a9cc93e86e83e13ea46a85e527a">OBAtomClassData</a>
, <a class="el" href="classOpenBabel_1_1FastSearchIndexer.shtml#ad4714872089241b8d1b5bb6b714b5e5c">FastSearchIndexer</a>
</li>
<li>AddAgent()
: <a class="el" href="classOpenBabel_1_1OBReaction.shtml#a19792b954ce336496b82309eb6c0746f">OBReaction</a>
</li>
<li>AddAngleConstraint()
: <a class="el" href="classOpenBabel_1_1OBFFConstraints.shtml#a4534496875adeb67374b7d5a35194968">OBFFConstraints</a>
</li>
<li>AddAtom()
: <a class="el" href="classOpenBabel_1_1OBMol.shtml#aa53209ef174b454eb99e269ef59ebbe0">OBMol</a>
, <a class="el" href="classOpenBabel_1_1OBQuery.shtml#a3b2e350f82ce51a8ba52af162907529e">OBQuery</a>
, <a class="el" href="classOpenBabel_1_1OBResidue.shtml#ad08955a5355b302e5054fb10239d4d40">OBResidue</a>
</li>
<li>AddAtomConstraint()
: <a class="el" href="classOpenBabel_1_1OBFFConstraints.shtml#a5800c3582d7de41d8f083d4fe6b75de4">OBFFConstraints</a>
</li>
<li>AddAtomLabels()
: <a class="el" href="classOpenBabel_1_1OBDepict.shtml#ab88f0bdd58be5fe56020b4502bbfb837">OBDepict</a>
</li>
<li>AddAtomRef()
: <a class="el" href="classOpenBabel_1_1OBChiralData.shtml#aca994f4a7f7e175991a4f0c3c99f99d6">OBChiralData</a>
</li>
<li>AddAtomXConstraint()
: <a class="el" href="classOpenBabel_1_1OBFFConstraints.shtml#ae22202328abe00f55d372e878279999b">OBFFConstraints</a>
</li>
<li>AddAtomYConstraint()
: <a class="el" href="classOpenBabel_1_1OBFFConstraints.shtml#ae0921729e3e6c132377c2aab8ded12ed">OBFFConstraints</a>
</li>
<li>AddAtomZConstraint()
: <a class="el" href="classOpenBabel_1_1OBFFConstraints.shtml#afd75a15f84d65f464a0a4af4c44639ac">OBFFConstraints</a>
</li>
<li>AddBond()
: <a class="el" href="classOpenBabel_1_1OBMol.shtml#ac92c32a100a07407535d5412d1a3b3ae">OBMol</a>
, <a class="el" href="classOpenBabel_1_1OBQuery.shtml#ac617b0afd430d9674c41faa179ee375c">OBQuery</a>
, <a class="el" href="classOpenBabel_1_1OBAtom.shtml#a5abeab08afbd305a51b9a9b5bd8fe356">OBAtom</a>
, <a class="el" href="classOpenBabel_1_1OBMol.shtml#a62e485fd693d4458ab5c47835afab049">OBMol</a>
</li>
<li>AddChemObject()
: <a class="el" href="classOpenBabel_1_1OBConversion.shtml#a342df96ba3cd8751e19758939dbef2f5">OBConversion</a>
</li>
<li>AddConformer()
: <a class="el" href="classOpenBabel_1_1OBMol.shtml#a7b80e7015d000221e0cc92fd3cf6f9e4">OBMol</a>
</li>
<li>AddData()
: <a class="el" href="classOpenBabel_1_1OBSetData.shtml#a3e36d0e80af7574cee4f2240b8f372dd">OBSetData</a>
</li>
<li>AddDistanceConstraint()
: <a class="el" href="classOpenBabel_1_1OBFFConstraints.shtml#a13b70932048e027b08ec61f403b2072d">OBFFConstraints</a>
</li>
<li>AddGradient()
: <a class="el" href="classOpenBabel_1_1OBForceField.shtml#ab0b5fe1f004e97857de0cf641b5e3789">OBForceField</a>
</li>
<li>AddHydrogens()
: <a class="el" href="classOpenBabel_1_1OBMol.shtml#ad3bab31bf64ff6cb18f6ee259b3b8c11">OBMol</a>
</li>
<li>AddIgnore()
: <a class="el" href="classOpenBabel_1_1OBFFConstraints.shtml#ab8ae3696e95452349c4607d58c4d22fb">OBFFConstraints</a>
</li>
<li>AddInterGroup()
: <a class="el" href="classOpenBabel_1_1OBForceField.shtml#a524b145587c6a1f4f4f4daf96272b898">OBForceField</a>
</li>
<li>AddInterGroups()
: <a class="el" href="classOpenBabel_1_1OBForceField.shtml#ac976169598f4df4ab91c669f052a91a6">OBForceField</a>
</li>
<li>AddIntraGroup()
: <a class="el" href="classOpenBabel_1_1OBForceField.shtml#ae9114ec448ff6ffeb4e529aa7fd39f9a">OBForceField</a>
</li>
<li>AddNbrs()
: <a class="el" href="classOpenBabel_1_1OBBuilder.shtml#a26e58d067cc3985a84fbf5cfa031947d">OBBuilder</a>
</li>
<li>AddOption()
: <a class="el" href="classOpenBabel_1_1OBConversion.shtml#a8ad01448cb4d5237ed5f3d8eeaf39804">OBConversion</a>
</li>
<li>AddPolarHydrogens()
: <a class="el" href="classOpenBabel_1_1OBMol.shtml#a9c3e3f1fa320501c56cb2b7fe4d6be34">OBMol</a>
</li>
<li>AddProduct()
: <a class="el" href="classOpenBabel_1_1OBReaction.shtml#acbd47ab999f149265823af35f27ad787">OBReaction</a>
</li>
<li>AddProperties()
: <a class="el" href="classOpenBabel_1_1OBDescriptor.shtml#a2230dfc67c9b617df81f950e382844cc">OBDescriptor</a>
</li>
<li>AddReactant()
: <a class="el" href="classOpenBabel_1_1OBReaction.shtml#a4171118b3e4bf11e9b2d13d93eae3e8b">OBReaction</a>
</li>
<li>AddResidue()
: <a class="el" href="classOpenBabel_1_1OBAtom.shtml#a3e3b0d3b268e6abe26f87d4c422c31cd">OBAtom</a>
, <a class="el" href="classOpenBabel_1_1OBMol.shtml#ad656115fdd6749ef7ad8394ee687f375">OBMol</a>
</li>
<li>AddRingFromClosure()
: <a class="el" href="classOpenBabel_1_1OBRingSearch.shtml#aa1396dc4c11207285a8711b28a1292e0">OBRingSearch</a>
</li>
<li>AddRotamer()
: <a class="el" href="classOpenBabel_1_1OBRotamerList.shtml#a1abcce8335b5b98eb2ef691138e864eb">OBRotamerList</a>
</li>
<li>AddRotamers()
: <a class="el" href="classOpenBabel_1_1OBRotamerList.shtml#a6f752b5a14fe102c0c274166e40f8eb4">OBRotamerList</a>
</li>
<li>AddRotor()
: <a class="el" href="classOpenBabel_1_1OBRotorKeys.shtml#a978846687be54138173a299d169bce37">OBRotorKeys</a>
</li>
<li>AddTorsion()
: <a class="el" href="classOpenBabel_1_1OBTorsion.shtml#abd9bec94f93a4e0d1e164cc8787bb38d">OBTorsion</a>
</li>
<li>AddTorsionConstraint()
: <a class="el" href="classOpenBabel_1_1OBFFConstraints.shtml#a5bec1b9b555729022a67186aa98a7c3c">OBFFConstraints</a>
</li>
<li>AddTransform()
: <a class="el" href="classOpenBabel_1_1SpaceGroup.shtml#ac6957eacc9ea85e6e67a9d964c6d4ced">SpaceGroup</a>
</li>
<li>AliasData()
: <a class="el" href="classOpenBabel_1_1AliasData.shtml#a55d097a56763789d4b0d070e51a580fb">AliasData</a>
</li>
<li>Align()
: <a class="el" href="classOpenBabel_1_1OBAlign.shtml#a946a73d3de978fd930793711f23e00b3">OBAlign</a>
, <a class="el" href="classOpenBabel_1_1OBMol.shtml#a228de88f48ee3ca6a11554b74d82dedd">OBMol</a>
</li>
<li>Apply()
: <a class="el" href="classOpenBabel_1_1OBChemTsfm.shtml#a1df01dc22c67cc084e1c82b8f9333cab">OBChemTsfm</a>
</li>
<li>AsArray()
: <a class="el" href="classOpenBabel_1_1vector3.shtml#a72b1c0a136ecdb28fdfa1ec382ccdc41">vector3</a>
</li>
<li>assign_rules()
: <a class="el" href="classOpenBabel_1_1patty.shtml#a55dcef5a39d6765d545e79cff377d332">patty</a>
</li>
<li>assign_types()
: <a class="el" href="classOpenBabel_1_1patty.shtml#aef2ec72bd2c0b6c3846d20c1ba1fce3f">patty</a>
</li>
<li>AssignAromaticFlags()
: <a class="el" href="classOpenBabel_1_1OBAromaticTyper.shtml#a5efe4ccada855f2e0c4b0f57614f8607">OBAromaticTyper</a>
</li>
<li>AssignBonds()
: <a class="el" href="classOpenBabel_1_1OBResidueData.shtml#a61ad927515ed6a722fd90d3610759197">OBResidueData</a>
</li>
<li>AssignFunctionalGroupBonds()
: <a class="el" href="classOpenBabel_1_1OBBondTyper.shtml#aa5af3b65ac3956ea6ee5e16198e5bb7a">OBBondTyper</a>
</li>
<li>AssignHyb()
: <a class="el" href="classOpenBabel_1_1OBAtomTyper.shtml#ae773554c61c3b4f4c855ead5bec93ee6">OBAtomTyper</a>
</li>
<li>AssignImplicitValence()
: <a class="el" href="classOpenBabel_1_1OBAtomTyper.shtml#a86b4345447c96d52bd0f44557729d285">OBAtomTyper</a>
</li>
<li>AssignPartialCharges()
: <a class="el" href="classOpenBabel_1_1OBGastChrg.shtml#a1c145997cdde372b0d870cabc0aede0a">OBGastChrg</a>
</li>
<li>AssignSeedPartialCharge()
: <a class="el" href="classOpenBabel_1_1OBPhModel.shtml#ae078817f50ab066f54fe58eb3d0dfd63">OBPhModel</a>
</li>
<li>AssignSpinMultiplicity()
: <a class="el" href="classOpenBabel_1_1OBMol.shtml#ad85ec95d1f909843737b67d70638f3c9">OBMol</a>
</li>
<li>AssignTorVals()
: <a class="el" href="classOpenBabel_1_1OBRotorList.shtml#a1d06cdda315ea9b96d14aeb10d352e61">OBRotorList</a>
</li>
<li>AssignTypes()
: <a class="el" href="classOpenBabel_1_1OBRingTyper.shtml#ad7c6f09e6720f6041c81097b407d0961">OBRingTyper</a>
, <a class="el" href="classOpenBabel_1_1OBAtomTyper.shtml#ad7c6f09e6720f6041c81097b407d0961">OBAtomTyper</a>
</li>
<li>AutomaticFormalCharge()
: <a class="el" href="classOpenBabel_1_1OBMol.shtml#a9f801729475d1d17415af6376458c81e">OBMol</a>
</li>
<li>AutomaticPartialCharge()
: <a class="el" href="classOpenBabel_1_1OBMol.shtml#af2ee11d3efe6526c2eb352bb67684e6c">OBMol</a>
</li>
<li>AverageBondAngle()
: <a class="el" href="classOpenBabel_1_1OBAtom.shtml#ae9468871377da00c7b949b20d6d17f3d">OBAtom</a>
</li>
</ul>
</div>
<!-- window showing the filter options -->
<div id="MSearchSelectWindow"
     onmouseover="return searchBox.OnSearchSelectShow()"
     onmouseout="return searchBox.OnSearchSelectHide()"
     onkeydown="return searchBox.OnSearchSelectKey(event)">
<a class="SelectItem" href="javascript:void(0)" onclick="searchBox.OnSelectItem(0)"><span class="SelectionMark">&#160;</span>All</a><a class="SelectItem" href="javascript:void(0)" onclick="searchBox.OnSelectItem(1)"><span class="SelectionMark">&#160;</span>Classes</a><a class="SelectItem" href="javascript:void(0)" onclick="searchBox.OnSelectItem(2)"><span class="SelectionMark">&#160;</span>Namespaces</a><a class="SelectItem" href="javascript:void(0)" onclick="searchBox.OnSelectItem(3)"><span class="SelectionMark">&#160;</span>Files</a><a class="SelectItem" href="javascript:void(0)" onclick="searchBox.OnSelectItem(4)"><span class="SelectionMark">&#160;</span>Functions</a><a class="SelectItem" href="javascript:void(0)" onclick="searchBox.OnSelectItem(5)"><span class="SelectionMark">&#160;</span>Variables</a><a class="SelectItem" href="javascript:void(0)" onclick="searchBox.OnSelectItem(6)"><span class="SelectionMark">&#160;</span>Typedefs</a><a class="SelectItem" href="javascript:void(0)" onclick="searchBox.OnSelectItem(7)"><span class="SelectionMark">&#160;</span>Enumerations</a><a class="SelectItem" href="javascript:void(0)" onclick="searchBox.OnSelectItem(8)"><span class="SelectionMark">&#160;</span>Enumerator</a><a class="SelectItem" href="javascript:void(0)" onclick="searchBox.OnSelectItem(9)"><span class="SelectionMark">&#160;</span>Friends</a><a class="SelectItem" href="javascript:void(0)" onclick="searchBox.OnSelectItem(10)"><span class="SelectionMark">&#160;</span>Defines</a></div>

<!-- iframe showing the search results (closed by default) -->
<div id="MSearchResultsWindow">
<iframe src="javascript:void(0)" frameborder="0" 
        name="MSearchResults" id="MSearchResults">
</iframe>
</div>

</div><!-- end content -->

<!--#include file="footer.html" -->

<div id="footer">
<hr size="1">
<img src="http://openbabel.org/babel256.png" width="136" height="127" alt="" style="float: left;" />
<p>This file is part of the documentation for <a href="http://openbabel.org/wiki/">Open Babel</a>, version 2.3.</p>
<div class="bottom">
Documentation copyright &copy; 1998-2007, the <a href="http://openbabel.org/wiki/THANKS">Open Babel Developers</a>.<br>
Open Babel is hosted by: <a href="http://sourceforge.net">
<img src="http://sourceforge.net/sflogo.php?group_id=40728" 
width="88" height="31" border="0" alt="SourceForge Logo"></a><br>
Generated on Thu Oct 13 2011 16:08:09 by&nbsp;<a href="http://www.doxygen.org/"><img src="doxygen.png" alt="doxygen" align="middle" border="0"></a> 1.7.5.1.
</div>

</body>
</html>