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68 <div class="title">part_func.h File Reference<div class="ingroups"><a class="el" href="group__pf__fold.html">Calculating Partition Functions and Pair Probabilities</a></div></div> </div>
70 <div class="contents">
72 <p>Partition function of single RNA sequences.
73 <a href="#details">More...</a></p>
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81 <area shape="rect" id="node3" href="data__structures_8h.html" title="All datastructures and typedefs shared among the Vienna RNA Package can be found here." alt="" coords="31,109,165,136"/><area shape="rect" id="node5" href="energy__const_8h.html" title="energy_const.h" alt="" coords="39,184,159,211"/></map>
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85 <table class="memberdecls">
86 <tr class="heading"><td colspan="2"><h2><a name="func-members"></a>
87 Functions</h2></td></tr>
88 <tr class="memitem:ga1839c61275760944b3a007c41d5c0823"><td class="memItemLeft" align="right" valign="top">float </td><td class="memItemRight" valign="bottom"><a class="el" href="group__pf__fold.html#ga1839c61275760944b3a007c41d5c0823">pf_fold_par</a> (const char *sequence, char *structure, <a class="el" href="structpf__paramT.html">pf_paramT</a> *parameters, int calculate_bppm, int is_constrained, int is_circular)</td></tr>
89 <tr class="memdesc:ga1839c61275760944b3a007c41d5c0823"><td class="mdescLeft"> </td><td class="mdescRight">Compute the partition function <img class="formulaInl" alt="$Q$" src="form_18.png"/> for a given RNA sequence. <a href="group__pf__fold.html#ga1839c61275760944b3a007c41d5c0823"></a><br/></td></tr>
90 <tr class="memitem:gadc3db3d98742427e7001a7fd36ef28c2"><td class="memItemLeft" align="right" valign="top">float </td><td class="memItemRight" valign="bottom"><a class="el" href="group__pf__fold.html#gadc3db3d98742427e7001a7fd36ef28c2">pf_fold</a> (const char *sequence, char *structure)</td></tr>
91 <tr class="memdesc:gadc3db3d98742427e7001a7fd36ef28c2"><td class="mdescLeft"> </td><td class="mdescRight">Compute the partition function <img class="formulaInl" alt="$Q$" src="form_18.png"/> of an RNA sequence. <a href="group__pf__fold.html#gadc3db3d98742427e7001a7fd36ef28c2"></a><br/></td></tr>
92 <tr class="memitem:ga819ce5fca8984004ac81c4a3b04cb735"><td class="memItemLeft" align="right" valign="top">float </td><td class="memItemRight" valign="bottom"><a class="el" href="group__pf__fold.html#ga819ce5fca8984004ac81c4a3b04cb735">pf_circ_fold</a> (const char *sequence, char *structure)</td></tr>
93 <tr class="memdesc:ga819ce5fca8984004ac81c4a3b04cb735"><td class="mdescLeft"> </td><td class="mdescRight">Compute the partition function of a circular RNA sequence. <a href="group__pf__fold.html#ga819ce5fca8984004ac81c4a3b04cb735"></a><br/></td></tr>
94 <tr class="memitem:gac03ca6db186bb3bf0a2a326d7fb3ba03"><td class="memItemLeft" align="right" valign="top">char * </td><td class="memItemRight" valign="bottom"><a class="el" href="group__subopt__stochbt.html#gac03ca6db186bb3bf0a2a326d7fb3ba03">pbacktrack</a> (char *sequence)</td></tr>
95 <tr class="memdesc:gac03ca6db186bb3bf0a2a326d7fb3ba03"><td class="mdescLeft"> </td><td class="mdescRight">Sample a secondary structure from the Boltzmann ensemble according its probability<br/>
96 . <a href="group__subopt__stochbt.html#gac03ca6db186bb3bf0a2a326d7fb3ba03"></a><br/></td></tr>
97 <tr class="memitem:ga00474051204ac9ad576b3e45174d03ff"><td class="memItemLeft" align="right" valign="top">char * </td><td class="memItemRight" valign="bottom"><a class="el" href="group__subopt__stochbt.html#ga00474051204ac9ad576b3e45174d03ff">pbacktrack_circ</a> (char *sequence)</td></tr>
98 <tr class="memdesc:ga00474051204ac9ad576b3e45174d03ff"><td class="mdescLeft"> </td><td class="mdescRight">Sample a secondary structure of a circular RNA from the Boltzmann ensemble according its probability. <a href="group__subopt__stochbt.html#ga00474051204ac9ad576b3e45174d03ff"></a><br/></td></tr>
99 <tr class="memitem:gae73db3f49a94f0f72e067ecd12681dbd"><td class="memItemLeft" align="right" valign="top">void </td><td class="memItemRight" valign="bottom"><a class="el" href="group__pf__fold.html#gae73db3f49a94f0f72e067ecd12681dbd">free_pf_arrays</a> (void)</td></tr>
100 <tr class="memdesc:gae73db3f49a94f0f72e067ecd12681dbd"><td class="mdescLeft"> </td><td class="mdescRight">Free arrays for the partition function recursions. <a href="group__pf__fold.html#gae73db3f49a94f0f72e067ecd12681dbd"></a><br/></td></tr>
101 <tr class="memitem:ga384e927890f9c034ff09fa66da102d28"><td class="memItemLeft" align="right" valign="top">void </td><td class="memItemRight" valign="bottom"><a class="el" href="group__pf__fold.html#ga384e927890f9c034ff09fa66da102d28">update_pf_params</a> (int length)</td></tr>
102 <tr class="memdesc:ga384e927890f9c034ff09fa66da102d28"><td class="mdescLeft"> </td><td class="mdescRight">Recalculate energy parameters. <a href="group__pf__fold.html#ga384e927890f9c034ff09fa66da102d28"></a><br/></td></tr>
103 <tr class="memitem:ga0733527a94de3b79eee3c3c03c99c1bc"><td class="memItemLeft" align="right" valign="top"><a class="anchor" id="ga0733527a94de3b79eee3c3c03c99c1bc"></a>
104 void </td><td class="memItemRight" valign="bottom"><a class="el" href="group__pf__fold.html#ga0733527a94de3b79eee3c3c03c99c1bc">update_pf_params_par</a> (int length, <a class="el" href="structpf__paramT.html">pf_paramT</a> *parameters)</td></tr>
105 <tr class="memdesc:ga0733527a94de3b79eee3c3c03c99c1bc"><td class="mdescLeft"> </td><td class="mdescRight">Recalculate energy parameters. <br/></td></tr>
106 <tr class="memitem:ga6d463707d5f64bdc4d21515b7dd9b115"><td class="memItemLeft" align="right" valign="top">double * </td><td class="memItemRight" valign="bottom"><a class="el" href="group__pf__fold.html#ga6d463707d5f64bdc4d21515b7dd9b115">export_bppm</a> (void)</td></tr>
107 <tr class="memdesc:ga6d463707d5f64bdc4d21515b7dd9b115"><td class="mdescLeft"> </td><td class="mdescRight">Get a pointer to the base pair probability arrayAccessing the base pair probabilities for a pair (i,j) is achieved by. <a href="group__pf__fold.html#ga6d463707d5f64bdc4d21515b7dd9b115"></a><br/></td></tr>
108 <tr class="memitem:ga03e15e831a31b1154855ab47edbdb019"><td class="memItemLeft" align="right" valign="top">void </td><td class="memItemRight" valign="bottom"><a class="el" href="group__pf__fold.html#ga03e15e831a31b1154855ab47edbdb019">assign_plist_from_pr</a> (<a class="el" href="structplist.html">plist</a> **pl, double *probs, int length, double cutoff)</td></tr>
109 <tr class="memdesc:ga03e15e831a31b1154855ab47edbdb019"><td class="mdescLeft"> </td><td class="mdescRight">Create a plist from a probability matrix. <a href="group__pf__fold.html#ga03e15e831a31b1154855ab47edbdb019"></a><br/></td></tr>
110 <tr class="memitem:ga18607e79e106cad827f482eedd2f632e"><td class="memItemLeft" align="right" valign="top">int </td><td class="memItemRight" valign="bottom"><a class="el" href="group__pf__fold.html#ga18607e79e106cad827f482eedd2f632e">get_pf_arrays</a> (short **S_p, short **S1_p, char **ptype_p, double **qb_p, double **qm_p, double **q1k_p, double **qln_p)</td></tr>
111 <tr class="memdesc:ga18607e79e106cad827f482eedd2f632e"><td class="mdescLeft"> </td><td class="mdescRight">Get the pointers to (almost) all relavant computation arrays used in partition function computation. <a href="group__pf__fold.html#ga18607e79e106cad827f482eedd2f632e"></a><br/></td></tr>
112 <tr class="memitem:a189e2a1ec6cc32c53ea72f7543b0441e"><td class="memItemLeft" align="right" valign="top"><a class="anchor" id="a189e2a1ec6cc32c53ea72f7543b0441e"></a>
113 double </td><td class="memItemRight" valign="bottom"><a class="el" href="part__func_8h.html#a189e2a1ec6cc32c53ea72f7543b0441e">get_subseq_F</a> (int i, int j)</td></tr>
114 <tr class="memdesc:a189e2a1ec6cc32c53ea72f7543b0441e"><td class="mdescLeft"> </td><td class="mdescRight">Get the free energy of a subsequence from the q[] array. <br/></td></tr>
115 <tr class="memitem:ga9aba0ba1433a6d259331e0fe9fc4a9a6"><td class="memItemLeft" align="right" valign="top">char * </td><td class="memItemRight" valign="bottom"><a class="el" href="group__centroid__fold.html#ga9aba0ba1433a6d259331e0fe9fc4a9a6">get_centroid_struct_pl</a> (int length, double *dist, <a class="el" href="structplist.html">plist</a> *pl)</td></tr>
116 <tr class="memdesc:ga9aba0ba1433a6d259331e0fe9fc4a9a6"><td class="mdescLeft"> </td><td class="mdescRight">Get the centroid structure of the ensemble. <a href="group__centroid__fold.html#ga9aba0ba1433a6d259331e0fe9fc4a9a6"></a><br/></td></tr>
117 <tr class="memitem:gacdabece4aa1e20c9eaa97acb4c4dcc38"><td class="memItemLeft" align="right" valign="top">char * </td><td class="memItemRight" valign="bottom"><a class="el" href="group__centroid__fold.html#gacdabece4aa1e20c9eaa97acb4c4dcc38">get_centroid_struct_pr</a> (int length, double *dist, double *<a class="el" href="fold__vars_8h.html#a0f5757427fd5f2f79d6fca0081cd5a52">pr</a>)</td></tr>
118 <tr class="memdesc:gacdabece4aa1e20c9eaa97acb4c4dcc38"><td class="mdescLeft"> </td><td class="mdescRight">Get the centroid structure of the ensemble. <a href="group__centroid__fold.html#gacdabece4aa1e20c9eaa97acb4c4dcc38"></a><br/></td></tr>
119 <tr class="memitem:ga79cbc375af65f11609feb6b055269e7d"><td class="memItemLeft" align="right" valign="top">double </td><td class="memItemRight" valign="bottom"><a class="el" href="group__pf__fold.html#ga79cbc375af65f11609feb6b055269e7d">mean_bp_distance</a> (int length)</td></tr>
120 <tr class="memdesc:ga79cbc375af65f11609feb6b055269e7d"><td class="mdescLeft"> </td><td class="mdescRight">Get the mean base pair distance of the last partition function computation. <a href="group__pf__fold.html#ga79cbc375af65f11609feb6b055269e7d"></a><br/></td></tr>
121 <tr class="memitem:ga72d84525f0afd3a9d60d830a2f501fa5"><td class="memItemLeft" align="right" valign="top">double </td><td class="memItemRight" valign="bottom"><a class="el" href="group__pf__fold.html#ga72d84525f0afd3a9d60d830a2f501fa5">mean_bp_distance_pr</a> (int length, double *<a class="el" href="fold__vars_8h.html#a0f5757427fd5f2f79d6fca0081cd5a52">pr</a>)</td></tr>
122 <tr class="memdesc:ga72d84525f0afd3a9d60d830a2f501fa5"><td class="mdescLeft"> </td><td class="mdescRight">Get the mean base pair distance in the thermodynamic ensemble. <a href="group__pf__fold.html#ga72d84525f0afd3a9d60d830a2f501fa5"></a><br/></td></tr>
123 <tr class="memitem:a1f562d463c14d4703d9656056200eb38"><td class="memItemLeft" align="right" valign="top"><a class="anchor" id="a1f562d463c14d4703d9656056200eb38"></a>
124 void </td><td class="memItemRight" valign="bottom"><a class="el" href="part__func_8h.html#a1f562d463c14d4703d9656056200eb38">bppm_to_structure</a> (char *structure, double *<a class="el" href="fold__vars_8h.html#a0f5757427fd5f2f79d6fca0081cd5a52">pr</a>, unsigned int length)</td></tr>
125 <tr class="memdesc:a1f562d463c14d4703d9656056200eb38"><td class="mdescLeft"> </td><td class="mdescRight">Create a dot-bracket like structure string from base pair probability matrix. <br/></td></tr>
126 <tr class="memitem:a49962ad6242b8c628de6ca16bb831c1d"><td class="memItemLeft" align="right" valign="top"><a class="anchor" id="a49962ad6242b8c628de6ca16bb831c1d"></a>
127 char </td><td class="memItemRight" valign="bottom"><a class="el" href="part__func_8h.html#a49962ad6242b8c628de6ca16bb831c1d">bppm_symbol</a> (const float *x)</td></tr>
128 <tr class="memdesc:a49962ad6242b8c628de6ca16bb831c1d"><td class="mdescLeft"> </td><td class="mdescRight">Get a pseudo dot bracket notation for a given probability information. <br/></td></tr>
129 <tr class="memitem:a15176e23eceeff8c7d14eabcfec8a2af"><td class="memItemLeft" align="right" valign="top">void </td><td class="memItemRight" valign="bottom"><a class="el" href="part__func_8h.html#a15176e23eceeff8c7d14eabcfec8a2af">init_pf_fold</a> (int length)</td></tr>
130 <tr class="memdesc:a15176e23eceeff8c7d14eabcfec8a2af"><td class="mdescLeft"> </td><td class="mdescRight">Allocate space for <a class="el" href="group__pf__fold.html#gadc3db3d98742427e7001a7fd36ef28c2" title="Compute the partition function of an RNA sequence.">pf_fold()</a> <a href="#a15176e23eceeff8c7d14eabcfec8a2af"></a><br/></td></tr>
131 <tr class="memitem:ae89a63bd83e75a80b2ba36d20b31ce81"><td class="memItemLeft" align="right" valign="top">char * </td><td class="memItemRight" valign="bottom"><a class="el" href="part__func_8h.html#ae89a63bd83e75a80b2ba36d20b31ce81">centroid</a> (int length, double *dist)</td></tr>
132 <tr class="memitem:ae9556ba7ded44fe2321b6f67c3fc02a3"><td class="memItemLeft" align="right" valign="top">double </td><td class="memItemRight" valign="bottom"><a class="el" href="part__func_8h.html#ae9556ba7ded44fe2321b6f67c3fc02a3">mean_bp_dist</a> (int length)</td></tr>
133 <tr class="memitem:a68ba6f3a48e08ca131ab54621ce3a2d7"><td class="memItemLeft" align="right" valign="top">double </td><td class="memItemRight" valign="bottom"><a class="el" href="part__func_8h.html#a68ba6f3a48e08ca131ab54621ce3a2d7">expLoopEnergy</a> (int u1, int u2, int type, int type2, short si1, short sj1, short sp1, short sq1)</td></tr>
134 <tr class="memitem:a7b6ab474cc80accc48010ccfcc59f96b"><td class="memItemLeft" align="right" valign="top">double </td><td class="memItemRight" valign="bottom"><a class="el" href="part__func_8h.html#a7b6ab474cc80accc48010ccfcc59f96b">expHairpinEnergy</a> (int u, int type, short si1, short sj1, const char *string)</td></tr>
135 </table><table class="memberdecls">
136 <tr class="heading"><td colspan="2"><h2><a name="var-members"></a>
137 Variables</h2></td></tr>
138 <tr class="memitem:gacd79b1a570e6ad9be24cb11fe8cae30a"><td class="memItemLeft" align="right" valign="top">int </td><td class="memItemRight" valign="bottom"><a class="el" href="group__subopt__stochbt.html#gacd79b1a570e6ad9be24cb11fe8cae30a">st_back</a></td></tr>
139 <tr class="memdesc:gacd79b1a570e6ad9be24cb11fe8cae30a"><td class="mdescLeft"> </td><td class="mdescRight">Flag indicating that auxilary arrays are needed throughout the computations. This is essential for stochastic backtracking. <a href="group__subopt__stochbt.html#gacd79b1a570e6ad9be24cb11fe8cae30a"></a><br/></td></tr>
141 <hr/><a name="details" id="details"></a><h2>Detailed Description</h2>
142 <div class="textblock"><p>Partition function of single RNA sequences. </p>
143 <p>This file includes (almost) all function declarations within the <b>RNAlib</b> that are related to Partion function folding... </p>
144 </div><hr/><h2>Function Documentation</h2>
145 <a class="anchor" id="a15176e23eceeff8c7d14eabcfec8a2af"></a>
146 <div class="memitem">
147 <div class="memproto">
148 <table class="memname">
150 <td class="memname">void init_pf_fold </td>
152 <td class="paramtype">int </td>
153 <td class="paramname"><em>length</em></td><td>)</td>
157 </div><div class="memdoc">
159 <p>Allocate space for <a class="el" href="group__pf__fold.html#gadc3db3d98742427e7001a7fd36ef28c2" title="Compute the partition function of an RNA sequence.">pf_fold()</a> </p>
160 <dl class="deprecated"><dt><b><a class="el" href="deprecated.html#_deprecated000011">Deprecated:</a></b></dt><dd>This function is obsolete and will be removed soon! </dd></dl>
164 <a class="anchor" id="ae89a63bd83e75a80b2ba36d20b31ce81"></a>
165 <div class="memitem">
166 <div class="memproto">
167 <table class="memname">
169 <td class="memname">char* centroid </td>
171 <td class="paramtype">int </td>
172 <td class="paramname"><em>length</em>, </td>
175 <td class="paramkey"></td>
177 <td class="paramtype">double * </td>
178 <td class="paramname"><em>dist</em> </td>
186 </div><div class="memdoc">
187 <dl class="deprecated"><dt><b><a class="el" href="deprecated.html#_deprecated000012">Deprecated:</a></b></dt><dd>This function is deprecated and should not be used anymore as it is not threadsafe! </dd></dl>
188 <dl class="section see"><dt>See also:</dt><dd><a class="el" href="group__centroid__fold.html#ga9aba0ba1433a6d259331e0fe9fc4a9a6" title="Get the centroid structure of the ensemble.">get_centroid_struct_pl()</a>, <a class="el" href="group__centroid__fold.html#gacdabece4aa1e20c9eaa97acb4c4dcc38" title="Get the centroid structure of the ensemble.">get_centroid_struct_pr()</a> </dd></dl>
192 <a class="anchor" id="ae9556ba7ded44fe2321b6f67c3fc02a3"></a>
193 <div class="memitem">
194 <div class="memproto">
195 <table class="memname">
197 <td class="memname">double mean_bp_dist </td>
199 <td class="paramtype">int </td>
200 <td class="paramname"><em>length</em></td><td>)</td>
204 </div><div class="memdoc">
205 <p>get the mean pair distance of ensemble</p>
206 <dl class="deprecated"><dt><b><a class="el" href="deprecated.html#_deprecated000013">Deprecated:</a></b></dt><dd>This function is not threadsafe and should not be used anymore. Use <a class="el" href="group__pf__fold.html#ga79cbc375af65f11609feb6b055269e7d">mean_bp_distance()</a> instead! </dd></dl>
210 <a class="anchor" id="a68ba6f3a48e08ca131ab54621ce3a2d7"></a>
211 <div class="memitem">
212 <div class="memproto">
213 <table class="memname">
215 <td class="memname">double expLoopEnergy </td>
217 <td class="paramtype">int </td>
218 <td class="paramname"><em>u1</em>, </td>
221 <td class="paramkey"></td>
223 <td class="paramtype">int </td>
224 <td class="paramname"><em>u2</em>, </td>
227 <td class="paramkey"></td>
229 <td class="paramtype">int </td>
230 <td class="paramname"><em>type</em>, </td>
233 <td class="paramkey"></td>
235 <td class="paramtype">int </td>
236 <td class="paramname"><em>type2</em>, </td>
239 <td class="paramkey"></td>
241 <td class="paramtype">short </td>
242 <td class="paramname"><em>si1</em>, </td>
245 <td class="paramkey"></td>
247 <td class="paramtype">short </td>
248 <td class="paramname"><em>sj1</em>, </td>
251 <td class="paramkey"></td>
253 <td class="paramtype">short </td>
254 <td class="paramname"><em>sp1</em>, </td>
257 <td class="paramkey"></td>
259 <td class="paramtype">short </td>
260 <td class="paramname"><em>sq1</em> </td>
268 </div><div class="memdoc">
269 <dl class="deprecated"><dt><b><a class="el" href="deprecated.html#_deprecated000014">Deprecated:</a></b></dt><dd>Use <a class="el" href="loop__energies_8h.html#aa5e98e524e2a41e290b942b09544bc9e">exp_E_IntLoop()</a> from <a class="el" href="loop__energies_8h.html" title="Energy evaluation for MFE and partition function calculations.">loop_energies.h</a> instead </dd></dl>
273 <a class="anchor" id="a7b6ab474cc80accc48010ccfcc59f96b"></a>
274 <div class="memitem">
275 <div class="memproto">
276 <table class="memname">
278 <td class="memname">double expHairpinEnergy </td>
280 <td class="paramtype">int </td>
281 <td class="paramname"><em>u</em>, </td>
284 <td class="paramkey"></td>
286 <td class="paramtype">int </td>
287 <td class="paramname"><em>type</em>, </td>
290 <td class="paramkey"></td>
292 <td class="paramtype">short </td>
293 <td class="paramname"><em>si1</em>, </td>
296 <td class="paramkey"></td>
298 <td class="paramtype">short </td>
299 <td class="paramname"><em>sj1</em>, </td>
302 <td class="paramkey"></td>
304 <td class="paramtype">const char * </td>
305 <td class="paramname"><em>string</em> </td>
313 </div><div class="memdoc">
314 <dl class="deprecated"><dt><b><a class="el" href="deprecated.html#_deprecated000015">Deprecated:</a></b></dt><dd>Use <a class="el" href="loop__energies_8h.html#a0e128184bb097dc2da33706f33b555a6">exp_E_Hairpin()</a> from <a class="el" href="loop__energies_8h.html" title="Energy evaluation for MFE and partition function calculations.">loop_energies.h</a> instead </dd></dl>
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323 <li class="navelem"><a class="el" href="dir_d72344b28b4f2089ce25682c4e6eba22.html">H</a></li><li class="navelem"><a class="el" href="part__func_8h.html">part_func.h</a></li>
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326 <img class="footer" src="doxygen.png" alt="doxygen"/></a> 1.8.1.1 </li>