1 <!DOCTYPE html PUBLIC "-//W3C//DTD XHTML 1.0 Transitional//EN" "http://www.w3.org/TR/xhtml1/DTD/xhtml1-transitional.dtd">
2 <html xmlns="http://www.w3.org/1999/xhtml">
4 <meta http-equiv="Content-Type" content="text/xhtml;charset=UTF-8"/>
5 <title>RNAlib-2.1.2: Energy evaluation</title>
6 <link href="tabs.css" rel="stylesheet" type="text/css"/>
7 <link href="doxygen.css" rel="stylesheet" type="text/css"/>
10 <!-- Generated by Doxygen 1.6.1 -->
11 <script type="text/javascript">
13 function changeDisplayState (e){
14 var num=this.id.replace(/[^[0-9]/g,'');
15 var button=this.firstChild;
16 var sectionDiv=document.getElementById('dynsection'+num);
17 if (sectionDiv.style.display=='none'||sectionDiv.style.display==''){
18 sectionDiv.style.display='block';
19 button.src='open.gif';
21 sectionDiv.style.display='none';
22 button.src='closed.gif';
25 function initDynSections(){
26 var divs=document.getElementsByTagName('div');
28 for(var i=0;i<divs.length-1;i++){
29 if(divs[i].className=='dynheader'&&divs[i+1].className=='dynsection'){
31 var section=divs[i+1];
32 var button=header.firstChild;
34 divs[i].insertBefore(document.createTextNode(' '),divs[i].firstChild);
35 button=document.createElement('img');
36 divs[i].insertBefore(button,divs[i].firstChild);
38 header.style.cursor='pointer';
39 header.onclick=changeDisplayState;
40 header.id='dynheader'+sectionCounter;
41 button.src='closed.gif';
42 section.id='dynsection'+sectionCounter;
43 section.style.display='none';
44 section.style.marginLeft='14px';
49 window.onload = initDynSections;
52 <div class="navigation" id="top">
55 <li><a href="main.html"><span>Main Page</span></a></li>
56 <li><a href="pages.html"><span>Related Pages</span></a></li>
57 <li><a href="modules.html"><span>Modules</span></a></li>
58 <li><a href="annotated.html"><span>Data Structures</span></a></li>
59 <li><a href="files.html"><span>Files</span></a></li>
63 <div class="contents">
64 <h1>Energy evaluation<br/>
66 [<a class="el" href="group__folding__routines.html">RNA Secondary Structure Folding</a>]</small>
68 <p>This module contains all functions and variables related to energy evaluation of sequence/structure pairs.
69 <a href="#_details">More...</a></p>
71 <p><div class="dynheader">
72 Collaboration diagram for Energy evaluation:</div>
73 <div class="dynsection">
74 <center><table><tr><td><img src="group__eval.png" border="0" alt="" usemap="#group____eval_map"/>
75 <map name="group____eval_map" id="group____eval">
76 <area shape="rect" id="node2" href="group__folding__routines.html" title="This module contains all functions related to thermodynamic folding of RNAs." alt="" coords="5,5,229,35"/></map></td></tr></table></center>
79 <table border="0" cellpadding="0" cellspacing="0">
80 <tr><td colspan="2"><h2>Functions</h2></td></tr>
81 <tr><td class="memItemLeft" align="right" valign="top">float </td><td class="memItemRight" valign="bottom"><a class="el" href="group__eval.html#gaf93986cb3cb29770ec9cca69c9fab8cf">energy_of_structure</a> (const char *string, const char *structure, int verbosity_level)</td></tr>
82 <tr><td class="mdescLeft"> </td><td class="mdescRight">Calculate the free energy of an already folded RNA using global model detail settings. <a href="#gaf93986cb3cb29770ec9cca69c9fab8cf"></a><br/></td></tr>
83 <tr><td class="memItemLeft" align="right" valign="top">float </td><td class="memItemRight" valign="bottom"><a class="el" href="group__eval.html#gab5169ea4f72f250e43811463a33f4e40">energy_of_struct_par</a> (const char *string, const char *structure, <a class="el" href="structparamT.html">paramT</a> *parameters, int verbosity_level)</td></tr>
84 <tr><td class="mdescLeft"> </td><td class="mdescRight">Calculate the free energy of an already folded RNA. <a href="#gab5169ea4f72f250e43811463a33f4e40"></a><br/></td></tr>
85 <tr><td class="memItemLeft" align="right" valign="top">float </td><td class="memItemRight" valign="bottom"><a class="el" href="group__eval.html#gaeb14f3664aec67fc03268ac75253f0f8">energy_of_circ_structure</a> (const char *string, const char *structure, int verbosity_level)</td></tr>
86 <tr><td class="mdescLeft"> </td><td class="mdescRight">Calculate the free energy of an already folded circular RNA. <a href="#gaeb14f3664aec67fc03268ac75253f0f8"></a><br/></td></tr>
87 <tr><td class="memItemLeft" align="right" valign="top">float </td><td class="memItemRight" valign="bottom"><a class="el" href="group__eval.html#ga75dc765ee4a1177832bc817c94cf88e5">energy_of_circ_struct_par</a> (const char *string, const char *structure, <a class="el" href="structparamT.html">paramT</a> *parameters, int verbosity_level)</td></tr>
88 <tr><td class="mdescLeft"> </td><td class="mdescRight">Calculate the free energy of an already folded circular RNA. <a href="#ga75dc765ee4a1177832bc817c94cf88e5"></a><br/></td></tr>
89 <tr><td class="memItemLeft" align="right" valign="top">int </td><td class="memItemRight" valign="bottom"><a class="el" href="group__eval.html#ga8831445966b761417e713360791299d8">energy_of_structure_pt</a> (const char *string, short *ptable, short *s, short *s1, int verbosity_level)</td></tr>
90 <tr><td class="mdescLeft"> </td><td class="mdescRight">Calculate the free energy of an already folded RNA. <a href="#ga8831445966b761417e713360791299d8"></a><br/></td></tr>
91 <tr><td class="memItemLeft" align="right" valign="top">int </td><td class="memItemRight" valign="bottom"><a class="el" href="group__eval.html#gada4701dd7519b29da75ceac147601f4e">energy_of_struct_pt_par</a> (const char *string, short *ptable, short *s, short *s1, <a class="el" href="structparamT.html">paramT</a> *parameters, int verbosity_level)</td></tr>
92 <tr><td class="mdescLeft"> </td><td class="mdescRight">Calculate the free energy of an already folded RNA. <a href="#gada4701dd7519b29da75ceac147601f4e"></a><br/></td></tr>
93 <tr><td colspan="2"><h2>Variables</h2></td></tr>
94 <tr><td class="memItemLeft" align="right" valign="top"><a class="anchor" id="ga567530678f6260a1a649a5beca5da4c5"></a><!-- doxytag: member="eval::eos_debug" ref="ga567530678f6260a1a649a5beca5da4c5" args="" -->
95 int </td><td class="memItemRight" valign="bottom"><a class="el" href="group__eval.html#ga567530678f6260a1a649a5beca5da4c5">eos_debug</a></td></tr>
96 <tr><td class="mdescLeft"> </td><td class="mdescRight">verbose info from energy_of_struct <br/></td></tr>
98 <hr/><a name="_details"></a><h2>Detailed Description</h2>
99 <p>This module contains all functions and variables related to energy evaluation of sequence/structure pairs. </p>
100 <hr/><h2>Function Documentation</h2>
101 <a class="anchor" id="gaf93986cb3cb29770ec9cca69c9fab8cf"></a><!-- doxytag: member="fold.h::energy_of_structure" ref="gaf93986cb3cb29770ec9cca69c9fab8cf" args="(const char *string, const char *structure, int verbosity_level)" -->
102 <div class="memitem">
103 <div class="memproto">
104 <table class="memname">
106 <td class="memname">float energy_of_structure </td>
108 <td class="paramtype">const char * </td>
109 <td class="paramname"> <em>string</em>, </td>
112 <td class="paramkey"></td>
114 <td class="paramtype">const char * </td>
115 <td class="paramname"> <em>structure</em>, </td>
118 <td class="paramkey"></td>
120 <td class="paramtype">int </td>
121 <td class="paramname"> <em>verbosity_level</em></td><td> </td>
126 <td></td><td></td><td></td>
132 <p>Calculate the free energy of an already folded RNA using global model detail settings. </p>
133 <p>If verbosity level is set to a value >0, energies of structure elements are printed to stdout</p>
134 <dl class="note"><dt><b>Note:</b></dt><dd>OpenMP: This function relies on several global model settings variables and thus is not to be considered threadsafe. See <a class="el" href="group__eval.html#gab5169ea4f72f250e43811463a33f4e40" title="Calculate the free energy of an already folded RNA.">energy_of_struct_par()</a> for a completely threadsafe implementation.</dd></dl>
135 <dl class="see"><dt><b>See also:</b></dt><dd><a class="el" href="group__eval.html#gab5169ea4f72f250e43811463a33f4e40" title="Calculate the free energy of an already folded RNA.">energy_of_struct_par()</a>, <a class="el" href="group__eval.html#gaeb14f3664aec67fc03268ac75253f0f8" title="Calculate the free energy of an already folded circular RNA.">energy_of_circ_structure()</a></dd></dl>
136 <dl><dt><b>Parameters:</b></dt><dd>
137 <table border="0" cellspacing="2" cellpadding="0">
138 <tr><td valign="top"></td><td valign="top"><em>string</em> </td><td>RNA sequence </td></tr>
139 <tr><td valign="top"></td><td valign="top"><em>structure</em> </td><td>secondary structure in dot-bracket notation </td></tr>
140 <tr><td valign="top"></td><td valign="top"><em>verbosity_level</em> </td><td>a flag to turn verbose output on/off </td></tr>
144 <dl class="return"><dt><b>Returns:</b></dt><dd>the free energy of the input structure given the input sequence in kcal/mol </dd></dl>
148 <a class="anchor" id="gab5169ea4f72f250e43811463a33f4e40"></a><!-- doxytag: member="fold.h::energy_of_struct_par" ref="gab5169ea4f72f250e43811463a33f4e40" args="(const char *string, const char *structure, paramT *parameters, int verbosity_level)" -->
149 <div class="memitem">
150 <div class="memproto">
151 <table class="memname">
153 <td class="memname">float energy_of_struct_par </td>
155 <td class="paramtype">const char * </td>
156 <td class="paramname"> <em>string</em>, </td>
159 <td class="paramkey"></td>
161 <td class="paramtype">const char * </td>
162 <td class="paramname"> <em>structure</em>, </td>
165 <td class="paramkey"></td>
167 <td class="paramtype"><a class="el" href="structparamT.html">paramT</a> * </td>
168 <td class="paramname"> <em>parameters</em>, </td>
171 <td class="paramkey"></td>
173 <td class="paramtype">int </td>
174 <td class="paramname"> <em>verbosity_level</em></td><td> </td>
179 <td></td><td></td><td></td>
185 <p>Calculate the free energy of an already folded RNA. </p>
186 <p>If verbosity level is set to a value >0, energies of structure elements are printed to stdout</p>
187 <dl class="see"><dt><b>See also:</b></dt><dd><a class="el" href="group__eval.html#gaeb14f3664aec67fc03268ac75253f0f8" title="Calculate the free energy of an already folded circular RNA.">energy_of_circ_structure()</a>, <a class="el" href="group__eval.html#ga8831445966b761417e713360791299d8" title="Calculate the free energy of an already folded RNA.">energy_of_structure_pt()</a>, <a class="el" href="group__energy__parameters.html#gac2f3ca440b7eaf4d999fb27da949fe72" title="Get precomputed energy contributions for all the known loop types.">get_scaled_parameters()</a></dd></dl>
188 <dl><dt><b>Parameters:</b></dt><dd>
189 <table border="0" cellspacing="2" cellpadding="0">
190 <tr><td valign="top"></td><td valign="top"><em>string</em> </td><td>RNA sequence in uppercase letters </td></tr>
191 <tr><td valign="top"></td><td valign="top"><em>structure</em> </td><td>Secondary structure in dot-bracket notation </td></tr>
192 <tr><td valign="top"></td><td valign="top"><em>parameters</em> </td><td>A data structure containing the prescaled energy contributions and the model details. </td></tr>
193 <tr><td valign="top"></td><td valign="top"><em>verbosity_level</em> </td><td>A flag to turn verbose output on/off </td></tr>
197 <dl class="return"><dt><b>Returns:</b></dt><dd>The free energy of the input structure given the input sequence in kcal/mol </dd></dl>
201 <a class="anchor" id="gaeb14f3664aec67fc03268ac75253f0f8"></a><!-- doxytag: member="fold.h::energy_of_circ_structure" ref="gaeb14f3664aec67fc03268ac75253f0f8" args="(const char *string, const char *structure, int verbosity_level)" -->
202 <div class="memitem">
203 <div class="memproto">
204 <table class="memname">
206 <td class="memname">float energy_of_circ_structure </td>
208 <td class="paramtype">const char * </td>
209 <td class="paramname"> <em>string</em>, </td>
212 <td class="paramkey"></td>
214 <td class="paramtype">const char * </td>
215 <td class="paramname"> <em>structure</em>, </td>
218 <td class="paramkey"></td>
220 <td class="paramtype">int </td>
221 <td class="paramname"> <em>verbosity_level</em></td><td> </td>
226 <td></td><td></td><td></td>
232 <p>Calculate the free energy of an already folded circular RNA. </p>
233 <dl class="note"><dt><b>Note:</b></dt><dd>OpenMP: This function relies on several global model settings variables and thus is not to be considered threadsafe. See <a class="el" href="group__eval.html#ga75dc765ee4a1177832bc817c94cf88e5" title="Calculate the free energy of an already folded circular RNA.">energy_of_circ_struct_par()</a> for a completely threadsafe implementation.</dd></dl>
234 <p>If verbosity level is set to a value >0, energies of structure elements are printed to stdout</p>
235 <dl class="see"><dt><b>See also:</b></dt><dd><a class="el" href="group__eval.html#ga75dc765ee4a1177832bc817c94cf88e5" title="Calculate the free energy of an already folded circular RNA.">energy_of_circ_struct_par()</a>, <a class="el" href="group__eval.html#gab5169ea4f72f250e43811463a33f4e40" title="Calculate the free energy of an already folded RNA.">energy_of_struct_par()</a></dd></dl>
236 <dl><dt><b>Parameters:</b></dt><dd>
237 <table border="0" cellspacing="2" cellpadding="0">
238 <tr><td valign="top"></td><td valign="top"><em>string</em> </td><td>RNA sequence </td></tr>
239 <tr><td valign="top"></td><td valign="top"><em>structure</em> </td><td>Secondary structure in dot-bracket notation </td></tr>
240 <tr><td valign="top"></td><td valign="top"><em>verbosity_level</em> </td><td>A flag to turn verbose output on/off </td></tr>
244 <dl class="return"><dt><b>Returns:</b></dt><dd>The free energy of the input structure given the input sequence in kcal/mol </dd></dl>
248 <a class="anchor" id="ga75dc765ee4a1177832bc817c94cf88e5"></a><!-- doxytag: member="fold.h::energy_of_circ_struct_par" ref="ga75dc765ee4a1177832bc817c94cf88e5" args="(const char *string, const char *structure, paramT *parameters, int verbosity_level)" -->
249 <div class="memitem">
250 <div class="memproto">
251 <table class="memname">
253 <td class="memname">float energy_of_circ_struct_par </td>
255 <td class="paramtype">const char * </td>
256 <td class="paramname"> <em>string</em>, </td>
259 <td class="paramkey"></td>
261 <td class="paramtype">const char * </td>
262 <td class="paramname"> <em>structure</em>, </td>
265 <td class="paramkey"></td>
267 <td class="paramtype"><a class="el" href="structparamT.html">paramT</a> * </td>
268 <td class="paramname"> <em>parameters</em>, </td>
271 <td class="paramkey"></td>
273 <td class="paramtype">int </td>
274 <td class="paramname"> <em>verbosity_level</em></td><td> </td>
279 <td></td><td></td><td></td>
285 <p>Calculate the free energy of an already folded circular RNA. </p>
286 <p>If verbosity level is set to a value >0, energies of structure elements are printed to stdout</p>
287 <dl class="see"><dt><b>See also:</b></dt><dd><a class="el" href="group__eval.html#gab5169ea4f72f250e43811463a33f4e40" title="Calculate the free energy of an already folded RNA.">energy_of_struct_par()</a>, <a class="el" href="group__energy__parameters.html#gac2f3ca440b7eaf4d999fb27da949fe72" title="Get precomputed energy contributions for all the known loop types.">get_scaled_parameters()</a></dd></dl>
288 <dl><dt><b>Parameters:</b></dt><dd>
289 <table border="0" cellspacing="2" cellpadding="0">
290 <tr><td valign="top"></td><td valign="top"><em>string</em> </td><td>RNA sequence </td></tr>
291 <tr><td valign="top"></td><td valign="top"><em>structure</em> </td><td>Secondary structure in dot-bracket notation </td></tr>
292 <tr><td valign="top"></td><td valign="top"><em>parameters</em> </td><td>A data structure containing the prescaled energy contributions and the model details. </td></tr>
293 <tr><td valign="top"></td><td valign="top"><em>verbosity_level</em> </td><td>A flag to turn verbose output on/off </td></tr>
297 <dl class="return"><dt><b>Returns:</b></dt><dd>The free energy of the input structure given the input sequence in kcal/mol </dd></dl>
301 <a class="anchor" id="ga8831445966b761417e713360791299d8"></a><!-- doxytag: member="fold.h::energy_of_structure_pt" ref="ga8831445966b761417e713360791299d8" args="(const char *string, short *ptable, short *s, short *s1, int verbosity_level)" -->
302 <div class="memitem">
303 <div class="memproto">
304 <table class="memname">
306 <td class="memname">int energy_of_structure_pt </td>
308 <td class="paramtype">const char * </td>
309 <td class="paramname"> <em>string</em>, </td>
312 <td class="paramkey"></td>
314 <td class="paramtype">short * </td>
315 <td class="paramname"> <em>ptable</em>, </td>
318 <td class="paramkey"></td>
320 <td class="paramtype">short * </td>
321 <td class="paramname"> <em>s</em>, </td>
324 <td class="paramkey"></td>
326 <td class="paramtype">short * </td>
327 <td class="paramname"> <em>s1</em>, </td>
330 <td class="paramkey"></td>
332 <td class="paramtype">int </td>
333 <td class="paramname"> <em>verbosity_level</em></td><td> </td>
338 <td></td><td></td><td></td>
344 <p>Calculate the free energy of an already folded RNA. </p>
345 <p>If verbosity level is set to a value >0, energies of structure elements are printed to stdout</p>
346 <dl class="note"><dt><b>Note:</b></dt><dd>OpenMP: This function relies on several global model settings variables and thus is not to be considered threadsafe. See <a class="el" href="group__eval.html#gada4701dd7519b29da75ceac147601f4e" title="Calculate the free energy of an already folded RNA.">energy_of_struct_pt_par()</a> for a completely threadsafe implementation.</dd></dl>
347 <dl class="see"><dt><b>See also:</b></dt><dd><a class="el" href="utils_8h.html#a89c32307ee50a0026f4a3131fac0845a" title="Create a pair table of a secondary structure.">make_pair_table()</a>, <a class="el" href="group__eval.html#gada4701dd7519b29da75ceac147601f4e" title="Calculate the free energy of an already folded RNA.">energy_of_struct_pt_par()</a></dd></dl>
348 <dl><dt><b>Parameters:</b></dt><dd>
349 <table border="0" cellspacing="2" cellpadding="0">
350 <tr><td valign="top"></td><td valign="top"><em>string</em> </td><td>RNA sequence </td></tr>
351 <tr><td valign="top"></td><td valign="top"><em>ptable</em> </td><td>the pair table of the secondary structure </td></tr>
352 <tr><td valign="top"></td><td valign="top"><em>s</em> </td><td>encoded RNA sequence </td></tr>
353 <tr><td valign="top"></td><td valign="top"><em>s1</em> </td><td>encoded RNA sequence </td></tr>
354 <tr><td valign="top"></td><td valign="top"><em>verbosity_level</em> </td><td>a flag to turn verbose output on/off </td></tr>
358 <dl class="return"><dt><b>Returns:</b></dt><dd>the free energy of the input structure given the input sequence in 10kcal/mol </dd></dl>
362 <a class="anchor" id="gada4701dd7519b29da75ceac147601f4e"></a><!-- doxytag: member="fold.h::energy_of_struct_pt_par" ref="gada4701dd7519b29da75ceac147601f4e" args="(const char *string, short *ptable, short *s, short *s1, paramT *parameters, int verbosity_level)" -->
363 <div class="memitem">
364 <div class="memproto">
365 <table class="memname">
367 <td class="memname">int energy_of_struct_pt_par </td>
369 <td class="paramtype">const char * </td>
370 <td class="paramname"> <em>string</em>, </td>
373 <td class="paramkey"></td>
375 <td class="paramtype">short * </td>
376 <td class="paramname"> <em>ptable</em>, </td>
379 <td class="paramkey"></td>
381 <td class="paramtype">short * </td>
382 <td class="paramname"> <em>s</em>, </td>
385 <td class="paramkey"></td>
387 <td class="paramtype">short * </td>
388 <td class="paramname"> <em>s1</em>, </td>
391 <td class="paramkey"></td>
393 <td class="paramtype"><a class="el" href="structparamT.html">paramT</a> * </td>
394 <td class="paramname"> <em>parameters</em>, </td>
397 <td class="paramkey"></td>
399 <td class="paramtype">int </td>
400 <td class="paramname"> <em>verbosity_level</em></td><td> </td>
405 <td></td><td></td><td></td>
411 <p>Calculate the free energy of an already folded RNA. </p>
412 <p>If verbosity level is set to a value >0, energies of structure elements are printed to stdout</p>
413 <dl class="see"><dt><b>See also:</b></dt><dd><a class="el" href="utils_8h.html#a89c32307ee50a0026f4a3131fac0845a" title="Create a pair table of a secondary structure.">make_pair_table()</a>, <a class="el" href="group__eval.html#gab5169ea4f72f250e43811463a33f4e40" title="Calculate the free energy of an already folded RNA.">energy_of_struct_par()</a>, <a class="el" href="group__energy__parameters.html#gac2f3ca440b7eaf4d999fb27da949fe72" title="Get precomputed energy contributions for all the known loop types.">get_scaled_parameters()</a></dd></dl>
414 <dl><dt><b>Parameters:</b></dt><dd>
415 <table border="0" cellspacing="2" cellpadding="0">
416 <tr><td valign="top"></td><td valign="top"><em>string</em> </td><td>RNA sequence in uppercase letters </td></tr>
417 <tr><td valign="top"></td><td valign="top"><em>ptable</em> </td><td>The pair table of the secondary structure </td></tr>
418 <tr><td valign="top"></td><td valign="top"><em>s</em> </td><td>Encoded RNA sequence </td></tr>
419 <tr><td valign="top"></td><td valign="top"><em>s1</em> </td><td>Encoded RNA sequence </td></tr>
420 <tr><td valign="top"></td><td valign="top"><em>parameters</em> </td><td>A data structure containing the prescaled energy contributions and the model details. </td></tr>
421 <tr><td valign="top"></td><td valign="top"><em>verbosity_level</em> </td><td>A flag to turn verbose output on/off </td></tr>
425 <dl class="return"><dt><b>Returns:</b></dt><dd>The free energy of the input structure given the input sequence in 10kcal/mol </dd></dl>
430 <hr size="1"/><address style="text-align: right;"><small>Generated on 11 Apr 2017 for RNAlib-2.1.2 by
431 <a href="http://www.doxygen.org/index.html">
432 <img class="footer" src="doxygen.png" alt="doxygen"/></a> 1.6.1 </small></address>