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<h1>dparams.c</h1><a href="dparams_8c.html">Go to the documentation of this file.</a><div class="fragment"><pre class="fragment"><a name="l00001"></a>00001
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<a name="l00002"></a>00002 <span class="preprocessor">#include "../headers/dparams.h"</span>
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<a name="l00003"></a>00003 <span class="comment"></span>
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<a name="l00004"></a>00004 <span class="comment">/**</span>
|
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<a name="l00005"></a>00005 <span class="comment"></span>
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<a name="l00006"></a>00006 <span class="comment">## GENERAL INFORMATION</span>
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<a name="l00007"></a>00007 <span class="comment">##</span>
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<a name="l00008"></a>00008 <span class="comment">## FILE dparams.c</span>
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<a name="l00009"></a>00009 <span class="comment">## AUTHORS P. Schmidtke and V. Le Guilloux</span>
|
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<a name="l00010"></a>00010 <span class="comment">## LAST MODIFIED 28-11-08</span>
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<a name="l00011"></a>00011 <span class="comment">##</span>
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<a name="l00012"></a>00012 <span class="comment">## SPECIFICATIONS</span>
|
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<a name="l00013"></a>00013 <span class="comment">##</span>
|
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<a name="l00014"></a>00014 <span class="comment">## Handle parameters (parse the command line and sore values)</span>
|
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<a name="l00015"></a>00015 <span class="comment">## for the dpocket programm.</span>
|
|
<a name="l00016"></a>00016 <span class="comment">##</span>
|
|
<a name="l00017"></a>00017 <span class="comment">## MODIFICATIONS HISTORY</span>
|
|
<a name="l00018"></a>00018 <span class="comment">##</span>
|
|
<a name="l00019"></a>00019 <span class="comment">## 28-11-08 (v) Comments UTD + relooking</span>
|
|
<a name="l00020"></a>00020 <span class="comment">## 27-11-08 (v) Minor Relooking</span>
|
|
<a name="l00021"></a>00021 <span class="comment">## 01-04-08 (v) Added comments and creation of history</span>
|
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<a name="l00022"></a>00022 <span class="comment">## 01-01-08 (vp) Created (random date...)</span>
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<a name="l00023"></a>00023 <span class="comment">## </span>
|
|
<a name="l00024"></a>00024 <span class="comment">## TODO or SUGGESTIONS</span>
|
|
<a name="l00025"></a>00025 <span class="comment">##</span>
|
|
<a name="l00026"></a>00026 <span class="comment">## (v) Check and update if necessary comments of each function!!</span>
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<a name="l00027"></a>00027 <span class="comment">## (v) Review the main function and handle all possible crashes.</span>
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<a name="l00028"></a>00028 <span class="comment">##</span>
|
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<a name="l00029"></a>00029 <span class="comment"></span>
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<a name="l00030"></a>00030 <span class="comment">*/</span>
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<a name="l00031"></a>00031 <span class="comment"></span>
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<a name="l00032"></a>00032 <span class="comment">/**</span>
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<a name="l00033"></a>00033 <span class="comment"> COPYRIGHT DISCLAIMER</span>
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<a name="l00034"></a>00034 <span class="comment"></span>
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<a name="l00035"></a>00035 <span class="comment"> Vincent Le Guilloux, Peter Schmidtke and Pierre Tuffery, hereby</span>
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<a name="l00036"></a>00036 <span class="comment"> disclaim all copyright interest in the program “fpocket” (which</span>
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<a name="l00037"></a>00037 <span class="comment"> performs protein cavity detection) written by Vincent Le Guilloux and Peter</span>
|
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<a name="l00038"></a>00038 <span class="comment"> Schmidtke.</span>
|
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<a name="l00039"></a>00039 <span class="comment"></span>
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<a name="l00040"></a>00040 <span class="comment"> Vincent Le Guilloux 28 November 2008</span>
|
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<a name="l00041"></a>00041 <span class="comment"> Peter Schmidtke 28 November 2008</span>
|
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<a name="l00042"></a>00042 <span class="comment"> Pierre Tuffery 28 November 2008</span>
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<a name="l00043"></a>00043 <span class="comment"></span>
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<a name="l00044"></a>00044 <span class="comment"> GNU GPL</span>
|
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<a name="l00045"></a>00045 <span class="comment"></span>
|
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<a name="l00046"></a>00046 <span class="comment"> This file is part of the fpocket package.</span>
|
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<a name="l00047"></a>00047 <span class="comment"></span>
|
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<a name="l00048"></a>00048 <span class="comment"> fpocket is free software: you can redistribute it and/or modify</span>
|
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<a name="l00049"></a>00049 <span class="comment"> it under the terms of the GNU General Public License as published by</span>
|
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<a name="l00050"></a>00050 <span class="comment"> the Free Software Foundation, either version 3 of the License, or</span>
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<a name="l00051"></a>00051 <span class="comment"> (at your option) any later version.</span>
|
|
<a name="l00052"></a>00052 <span class="comment"></span>
|
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<a name="l00053"></a>00053 <span class="comment"> fpocket is distributed in the hope that it will be useful,</span>
|
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<a name="l00054"></a>00054 <span class="comment"> but WITHOUT ANY WARRANTY; without even the implied warranty of</span>
|
|
<a name="l00055"></a>00055 <span class="comment"> MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the</span>
|
|
<a name="l00056"></a>00056 <span class="comment"> GNU General Public License for more details.</span>
|
|
<a name="l00057"></a>00057 <span class="comment"></span>
|
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<a name="l00058"></a>00058 <span class="comment"> You should have received a copy of the GNU General Public License</span>
|
|
<a name="l00059"></a>00059 <span class="comment"> along with fpocket. If not, see <http://www.gnu.org/licenses/>.</span>
|
|
<a name="l00060"></a>00060 <span class="comment"></span>
|
|
<a name="l00061"></a>00061 <span class="comment">**/</span>
|
|
<a name="l00062"></a>00062 <span class="comment"></span>
|
|
<a name="l00063"></a>00063 <span class="comment">/**</span>
|
|
<a name="l00064"></a>00064 <span class="comment"> ## FUNCTION:</span>
|
|
<a name="l00065"></a>00065 <span class="comment"> init_def_dparams</span>
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|
<a name="l00066"></a>00066 <span class="comment"> </span>
|
|
<a name="l00067"></a>00067 <span class="comment"> ## SPECIFICATION:</span>
|
|
<a name="l00068"></a>00068 <span class="comment"> Initialisation of default parameters.</span>
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|
<a name="l00069"></a>00069 <span class="comment"> </span>
|
|
<a name="l00070"></a>00070 <span class="comment"> ## PARAMETRES: void</span>
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|
<a name="l00071"></a>00071 <span class="comment"> </span>
|
|
<a name="l00072"></a>00072 <span class="comment"> ## RETURN: </span>
|
|
<a name="l00073"></a>00073 <span class="comment"> s_dparams*: Pointer to allocated paramers.</span>
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<a name="l00074"></a>00074 <span class="comment"> </span>
|
|
<a name="l00075"></a>00075 <span class="comment">*/</span>
|
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<a name="l00076"></a><a class="code" href="dparams_8h.html#100b780c898d5b4b3482aba9797f7306">00076</a> <a class="code" href="structs__dparams.html">s_dparams</a>* <a class="code" href="dparams_8c.html#100b780c898d5b4b3482aba9797f7306">init_def_dparams</a>(<span class="keywordtype">void</span>)
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<a name="l00077"></a>00077 {
|
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<a name="l00078"></a>00078 <a class="code" href="structs__dparams.html">s_dparams</a> *par = (<a class="code" href="structs__dparams.html">s_dparams</a>*) <a class="code" href="memhandler_8c.html#52d7260a38c396cb2dd1dd7abcfd61cb">my_malloc</a>(<span class="keyword">sizeof</span>(<a class="code" href="structs__dparams.html">s_dparams</a>)) ;
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<a name="l00079"></a>00079
|
|
<a name="l00080"></a>00080 par-><a class="code" href="structs__dparams.html#eed722b226fde5c51dfa3e2f83d9a6d3">f_exp</a> = (<span class="keywordtype">char</span> *)<a class="code" href="memhandler_8c.html#52d7260a38c396cb2dd1dd7abcfd61cb">my_malloc</a>(<a class="code" href="dparams_8h.html#8c7b27b7a35d576199e6a8514932bb2b">M_MAX_FILE_NAME_LENGTH</a>*<span class="keyword">sizeof</span>(<span class="keywordtype">char</span>)) ;
|
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<a name="l00081"></a>00081 par-><a class="code" href="structs__dparams.html#3f14e5f303fbf919cd6f9abab8505c68">f_fpckp</a> = (<span class="keywordtype">char</span> *)<a class="code" href="memhandler_8c.html#52d7260a38c396cb2dd1dd7abcfd61cb">my_malloc</a>(<a class="code" href="dparams_8h.html#8c7b27b7a35d576199e6a8514932bb2b">M_MAX_FILE_NAME_LENGTH</a>*<span class="keyword">sizeof</span>(<span class="keywordtype">char</span>)) ;
|
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<a name="l00082"></a>00082 par-><a class="code" href="structs__dparams.html#b1b7fc562b81d0670f3044252a2d4c34">f_fpcknp</a> = (<span class="keywordtype">char</span> *)<a class="code" href="memhandler_8c.html#52d7260a38c396cb2dd1dd7abcfd61cb">my_malloc</a>(<a class="code" href="dparams_8h.html#8c7b27b7a35d576199e6a8514932bb2b">M_MAX_FILE_NAME_LENGTH</a>*<span class="keyword">sizeof</span>(<span class="keywordtype">char</span>)) ;
|
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<a name="l00083"></a>00083
|
|
<a name="l00084"></a>00084 strcpy(par-><a class="code" href="structs__dparams.html#eed722b226fde5c51dfa3e2f83d9a6d3">f_exp</a>, <a class="code" href="dparams_8h.html#22ad6835c39effbd106823c3c5ca7c0f">M_OUTPUT_FILE1_DEFAULT</a>) ;
|
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<a name="l00085"></a>00085 strcpy(par-><a class="code" href="structs__dparams.html#3f14e5f303fbf919cd6f9abab8505c68">f_fpckp</a>, <a class="code" href="dparams_8h.html#f1de078ce38b24912d6da6b73ea8dcc5">M_OUTPUT_FILE2_DEFAULT</a>) ;
|
|
<a name="l00086"></a>00086 strcpy(par-><a class="code" href="structs__dparams.html#b1b7fc562b81d0670f3044252a2d4c34">f_fpcknp</a>, <a class="code" href="dparams_8h.html#e65d6e015a840528747af72ef2f01caa">M_OUTPUT_FILE3_DEFAULT</a>) ;
|
|
<a name="l00087"></a>00087
|
|
<a name="l00088"></a>00088 par-><a class="code" href="structs__dparams.html#a98295f566006ae97eef0628a9c94a86">fcomplex</a> = NULL ;
|
|
<a name="l00089"></a>00089 par-><a class="code" href="structs__dparams.html#d3fbaf401c68c3abf7ef662259e547d6">ligs</a> = NULL ;
|
|
<a name="l00090"></a>00090 par-><a class="code" href="structs__dparams.html#04c48f5eb6778c9a5022588e507043d3">nfiles</a> = 0 ;
|
|
<a name="l00091"></a>00091 par-><a class="code" href="structs__dparams.html#09b829e05d79410ee1471242ab622cac">interface_dist_crit</a> = <a class="code" href="dparams_8h.html#7a9d98b0a58c3e4ff49f676ad073686f">M_VERT_LIG_NEIG_DIST</a> ;
|
|
<a name="l00092"></a>00092 par-><a class="code" href="structs__dparams.html#f48783ed6b360f7a3e83eb4c7ae11300">interface_method</a> = <a class="code" href="dparams_8h.html#cefcbcb3b4a22d32a05b6b2e931334b4">M_INTERFACE_METHOD1</a> ;
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<a name="l00093"></a>00093
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<a name="l00094"></a>00094 <span class="keywordflow">return</span> par ;
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<a name="l00095"></a>00095 }
|
|
<a name="l00096"></a>00096 <span class="comment"></span>
|
|
<a name="l00097"></a>00097 <span class="comment">/**</span>
|
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<a name="l00098"></a>00098 <span class="comment"> ## FUNCTION: </span>
|
|
<a name="l00099"></a>00099 <span class="comment"> get_dpocket_args</span>
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|
<a name="l00100"></a>00100 <span class="comment"> </span>
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|
<a name="l00101"></a>00101 <span class="comment"> ## SPECIFICATION: </span>
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<a name="l00102"></a>00102 <span class="comment"> This function analyse the user's command line and parse it to store </span>
|
|
<a name="l00103"></a>00103 <span class="comment"> parameters for the descriptor calculator programm.</span>
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<a name="l00104"></a>00104 <span class="comment"> </span>
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|
<a name="l00105"></a>00105 <span class="comment"> ## PARAMETRES:</span>
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|
<a name="l00106"></a>00106 <span class="comment"> @ int nargs : Number of arguments</span>
|
|
<a name="l00107"></a>00107 <span class="comment"> @ char **args : Arguments of main program</span>
|
|
<a name="l00108"></a>00108 <span class="comment"> </span>
|
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<a name="l00109"></a>00109 <span class="comment"> ## RETURN:</span>
|
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<a name="l00110"></a>00110 <span class="comment"> s_dparams*: Pointer to parameters</span>
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<a name="l00111"></a>00111 <span class="comment"> </span>
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<a name="l00112"></a>00112 <span class="comment">*/</span>
|
|
<a name="l00113"></a><a class="code" href="dparams_8h.html#ca1e7fb31512b575d498b486be72e318">00113</a> <a class="code" href="structs__dparams.html">s_dparams</a>* <a class="code" href="dparams_8c.html#ca1e7fb31512b575d498b486be72e318">get_dpocket_args</a>(<span class="keywordtype">int</span> nargs, <span class="keywordtype">char</span> **args)
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<a name="l00114"></a>00114 {
|
|
<a name="l00115"></a>00115 <span class="keywordtype">int</span> i,
|
|
<a name="l00116"></a>00116 status = 0,
|
|
<a name="l00117"></a>00117 nstats = 0 ;
|
|
<a name="l00118"></a>00118
|
|
<a name="l00119"></a>00119 <span class="keywordtype">char</span> *str_list_file = NULL ;
|
|
<a name="l00120"></a>00120
|
|
<a name="l00121"></a>00121 <a class="code" href="structs__dparams.html">s_dparams</a> *par = <a class="code" href="dparams_8c.html#100b780c898d5b4b3482aba9797f7306">init_def_dparams</a>() ;
|
|
<a name="l00122"></a>00122 par-><a class="code" href="structs__dparams.html#84c3e94630fcd2402fd190aad5a0ffbf">fpar</a> = <a class="code" href="fparams_8c.html#c1806d3567baea11616fc5fdfca417d7">get_fpocket_args</a>(nargs, args) ;
|
|
<a name="l00123"></a>00123
|
|
<a name="l00124"></a>00124 <span class="comment">/* Read arguments by flags */</span>
|
|
<a name="l00125"></a>00125 <span class="keywordflow">for</span> (i = 1; i < nargs; i++) {
|
|
<a name="l00126"></a>00126 <span class="keywordflow">if</span> (strlen(args[i]) == 2 && args[i][0] == <span class="charliteral">'-'</span>) {
|
|
<a name="l00127"></a>00127 <span class="keywordflow">switch</span> (args[i][1]) {
|
|
<a name="l00128"></a>00128 <span class="keywordflow">case</span> <a class="code" href="dparams_8h.html#e1b3066b79046f6dbb5b3ec5537cc6b7">M_DPAR_DISTANCE_CRITERIA</a> :
|
|
<a name="l00129"></a>00129 <span class="keywordflow">if</span>(i < nargs-1) status += <a class="code" href="dparams_8c.html#1e7882763429519c63037bb44787ca4b">parse_dist_crit</a>(args[++i], par) ;
|
|
<a name="l00130"></a>00130 <span class="keywordflow">else</span> {
|
|
<a name="l00131"></a>00131 fprintf(stdout, <span class="stringliteral">"! Distance criteria defining the protein-ligand interface is missing.\n"</span>) ;
|
|
<a name="l00132"></a>00132 status += 1 ;
|
|
<a name="l00133"></a>00133 }
|
|
<a name="l00134"></a>00134 break ;
|
|
<a name="l00135"></a>00135
|
|
<a name="l00136"></a>00136 <span class="keywordflow">case</span> <a class="code" href="dparams_8h.html#82c7b59d8b32f307c412e0ecb98a04a1">M_DPAR_INTERFACE_METHOD1</a> :
|
|
<a name="l00137"></a>00137 par-><a class="code" href="structs__dparams.html#f48783ed6b360f7a3e83eb4c7ae11300">interface_method</a> = <a class="code" href="dparams_8h.html#cefcbcb3b4a22d32a05b6b2e931334b4">M_INTERFACE_METHOD1</a> ;
|
|
<a name="l00138"></a>00138 par-><a class="code" href="structs__dparams.html#09b829e05d79410ee1471242ab622cac">interface_dist_crit</a> = <a class="code" href="dparams_8h.html#7a9d98b0a58c3e4ff49f676ad073686f">M_VERT_LIG_NEIG_DIST</a> ;
|
|
<a name="l00139"></a>00139 break ;
|
|
<a name="l00140"></a>00140
|
|
<a name="l00141"></a>00141 <span class="keywordflow">case</span> <a class="code" href="dparams_8h.html#66f452257935ac35b2aff9d9a5b35a5c">M_DPAR_INTERFACE_METHOD2</a> :
|
|
<a name="l00142"></a>00142 par-><a class="code" href="structs__dparams.html#f48783ed6b360f7a3e83eb4c7ae11300">interface_method</a> = <a class="code" href="dparams_8h.html#8364a85272afb754f95f5f76832a82ac">M_INTERFACE_METHOD2</a> ;
|
|
<a name="l00143"></a>00143 par-><a class="code" href="structs__dparams.html#09b829e05d79410ee1471242ab622cac">interface_dist_crit</a> = <a class="code" href="dparams_8h.html#828cf5a56026b461ab24fdc52364b1a5">M_LIG_NEIG_DIST</a> ;
|
|
<a name="l00144"></a>00144 break ;
|
|
<a name="l00145"></a>00145
|
|
<a name="l00146"></a>00146 <span class="keywordflow">case</span> <a class="code" href="dparams_8h.html#c2a49a64021fccfd5ac216bd724c34f4">M_DPAR_OUTPUT_FILE</a> :
|
|
<a name="l00147"></a>00147 <span class="keywordflow">if</span>(nstats >= 1) fprintf(stdout, <span class="stringliteral">"! More than one single file for the stats output file has been given. Ignoring this one.\n"</span>) ;
|
|
<a name="l00148"></a>00148 <span class="keywordflow">else</span> {
|
|
<a name="l00149"></a>00149 <span class="keywordflow">if</span>(i < nargs-1) {
|
|
<a name="l00150"></a>00150 <span class="keywordflow">if</span>(strlen(args[++i]) < <a class="code" href="dparams_8h.html#8c7b27b7a35d576199e6a8514932bb2b">M_MAX_FILE_NAME_LENGTH</a>) {
|
|
<a name="l00151"></a>00151 <a class="code" href="utils_8c.html#1c104f406d4b5f85b6f0bda8db67536f">remove_ext</a>(args[i]) ;
|
|
<a name="l00152"></a>00152 sprintf(par-><a class="code" href="structs__dparams.html#eed722b226fde5c51dfa3e2f83d9a6d3">f_exp</a>, <span class="stringliteral">"%s_exp.txt"</span>, args[i]) ;
|
|
<a name="l00153"></a>00153 sprintf(par-><a class="code" href="structs__dparams.html#3f14e5f303fbf919cd6f9abab8505c68">f_fpckp</a>, <span class="stringliteral">"%s_fp.txt"</span>, args[i]) ;
|
|
<a name="l00154"></a>00154 sprintf(par-><a class="code" href="structs__dparams.html#b1b7fc562b81d0670f3044252a2d4c34">f_fpcknp</a>, <span class="stringliteral">"%s_fpn.txt"</span>, args[i]) ;
|
|
<a name="l00155"></a>00155 }
|
|
<a name="l00156"></a>00156 <span class="keywordflow">else</span> fprintf(stdout, <span class="stringliteral">"! Output file name is too long... Keeping default."</span>) ;
|
|
<a name="l00157"></a>00157 }
|
|
<a name="l00158"></a>00158 <span class="keywordflow">else</span> {
|
|
<a name="l00159"></a>00159 fprintf(stdout, <span class="stringliteral">"! Invalid output file name argument missing.\n"</span>) ;
|
|
<a name="l00160"></a>00160 status += 1 ;
|
|
<a name="l00161"></a>00161 }
|
|
<a name="l00162"></a>00162 }
|
|
<a name="l00163"></a>00163 break ;
|
|
<a name="l00164"></a>00164
|
|
<a name="l00165"></a>00165 <span class="keywordflow">case</span> <a class="code" href="dparams_8h.html#1dd1b9ec6a0f6e786341e70b6e35d994">M_DPAR_INPUT_FILE</a> :
|
|
<a name="l00166"></a>00166 <span class="keywordflow">if</span>(i < nargs-1) str_list_file = args[++i] ;
|
|
<a name="l00167"></a>00167 <span class="keywordflow">else</span> {
|
|
<a name="l00168"></a>00168 fprintf(stdout, <span class="stringliteral">"! Input file name argument missing.\n"</span>) ;
|
|
<a name="l00169"></a>00169 status += 1 ;
|
|
<a name="l00170"></a>00170 }
|
|
<a name="l00171"></a>00171 break ;
|
|
<a name="l00172"></a>00172
|
|
<a name="l00173"></a>00173 <span class="keywordflow">default</span>:
|
|
<a name="l00174"></a>00174 <span class="comment">// Check fpocket parameters!</span>
|
|
<a name="l00175"></a>00175 <span class="keywordflow">if</span>(!<a class="code" href="fparams_8c.html#bdc82d2e467d8dd8765d605d1ae26dc6">is_fpocket_opt</a>(args[i][1])) {
|
|
<a name="l00176"></a>00176 fprintf(stdout, <span class="stringliteral">"> Unknown option '%s'. Ignoring it.\n"</span>,
|
|
<a name="l00177"></a>00177 args[i]) ;
|
|
<a name="l00178"></a>00178 }
|
|
<a name="l00179"></a>00179 break ;
|
|
<a name="l00180"></a>00180 }
|
|
<a name="l00181"></a>00181 }
|
|
<a name="l00182"></a>00182 }
|
|
<a name="l00183"></a>00183
|
|
<a name="l00184"></a>00184 <span class="keywordflow">if</span>(status > 0) {
|
|
<a name="l00185"></a>00185 <a class="code" href="dparams_8c.html#828ec187d6c18322a19e51c14759408f">free_dparams</a>(par) ;
|
|
<a name="l00186"></a>00186 par = NULL ;
|
|
<a name="l00187"></a>00187 <a class="code" href="dparams_8c.html#4d9ba39c7b1219bd7758b7d479d1b47e">print_dpocket_usage</a>(stdout);
|
|
<a name="l00188"></a>00188 }
|
|
<a name="l00189"></a>00189 <span class="keywordflow">else</span> {
|
|
<a name="l00190"></a>00190 <span class="keywordflow">if</span>(str_list_file) {
|
|
<a name="l00191"></a>00191 <span class="keywordtype">int</span> res = <a class="code" href="dparams_8c.html#415b85de804f291fcd2381c5042b29fa">add_list_complexes</a>(str_list_file, par) ;
|
|
<a name="l00192"></a>00192 <span class="keywordflow">if</span>(res <= 0) {
|
|
<a name="l00193"></a>00193 fprintf(stdout, <span class="stringliteral">"! No data has been read.\n"</span>) ;
|
|
<a name="l00194"></a>00194 <a class="code" href="dparams_8c.html#828ec187d6c18322a19e51c14759408f">free_dparams</a>(par) ;
|
|
<a name="l00195"></a>00195 par = NULL ;
|
|
<a name="l00196"></a>00196 <a class="code" href="dparams_8c.html#4d9ba39c7b1219bd7758b7d479d1b47e">print_dpocket_usage</a>(stdout);
|
|
<a name="l00197"></a>00197 }
|
|
<a name="l00198"></a>00198 }
|
|
<a name="l00199"></a>00199 <span class="keywordflow">else</span> {
|
|
<a name="l00200"></a>00200 fprintf(stdout, <span class="stringliteral">"! No input file given... Try again :).\n"</span>) ;
|
|
<a name="l00201"></a>00201 <a class="code" href="dparams_8c.html#828ec187d6c18322a19e51c14759408f">free_dparams</a>(par) ;
|
|
<a name="l00202"></a>00202 par = NULL ;
|
|
<a name="l00203"></a>00203 <a class="code" href="dparams_8c.html#4d9ba39c7b1219bd7758b7d479d1b47e">print_dpocket_usage</a>(stdout);
|
|
<a name="l00204"></a>00204 }
|
|
<a name="l00205"></a>00205 }
|
|
<a name="l00206"></a>00206
|
|
<a name="l00207"></a>00207 <span class="keywordflow">return</span> par;
|
|
<a name="l00208"></a>00208 }
|
|
<a name="l00209"></a>00209 <span class="comment"></span>
|
|
<a name="l00210"></a>00210 <span class="comment">/**</span>
|
|
<a name="l00211"></a>00211 <span class="comment"> ## FUNCTION: </span>
|
|
<a name="l00212"></a>00212 <span class="comment"> add_list_complexes</span>
|
|
<a name="l00213"></a>00213 <span class="comment"> </span>
|
|
<a name="l00214"></a>00214 <span class="comment"> ## SPECIFICATION: </span>
|
|
<a name="l00215"></a>00215 <span class="comment"> Load a list of protein-ligand pdb file path. This file should have the </span>
|
|
<a name="l00216"></a>00216 <span class="comment"> following format:</span>
|
|
<a name="l00217"></a>00217 <span class="comment"></span>
|
|
<a name="l00218"></a>00218 <span class="comment"> complex_pdb_file ligand_code</span>
|
|
<a name="l00219"></a>00219 <span class="comment"> complex_pdb_file2 ligand_code2</span>
|
|
<a name="l00220"></a>00220 <span class="comment"> complex_pdb_file3 ligand_code3</span>
|
|
<a name="l00221"></a>00221 <span class="comment"> (...)</span>
|
|
<a name="l00222"></a>00222 <span class="comment"> </span>
|
|
<a name="l00223"></a>00223 <span class="comment"> Each complexe-ligand set will be stored in the parameters structure.</span>
|
|
<a name="l00224"></a>00224 <span class="comment"> </span>
|
|
<a name="l00225"></a>00225 <span class="comment"> ## PARAMETRES:</span>
|
|
<a name="l00226"></a>00226 <span class="comment"> @ char *str_list_file : Path of the file containing all data</span>
|
|
<a name="l00227"></a>00227 <span class="comment"> @ s_dparams *par : Structures that stores all thoses files</span>
|
|
<a name="l00228"></a>00228 <span class="comment"> </span>
|
|
<a name="l00229"></a>00229 <span class="comment"> ## RETURN: </span>
|
|
<a name="l00230"></a>00230 <span class="comment"> int: Number of file read.</span>
|
|
<a name="l00231"></a>00231 <span class="comment"> </span>
|
|
<a name="l00232"></a>00232 <span class="comment">*/</span>
|
|
<a name="l00233"></a><a class="code" href="dparams_8h.html#415b85de804f291fcd2381c5042b29fa">00233</a> <span class="keywordtype">int</span> <a class="code" href="dparams_8c.html#415b85de804f291fcd2381c5042b29fa">add_list_complexes</a>(<span class="keywordtype">char</span> *str_list_file, <a class="code" href="structs__dparams.html">s_dparams</a> *par)
|
|
<a name="l00234"></a>00234 {
|
|
<a name="l00235"></a>00235 FILE *f;
|
|
<a name="l00236"></a>00236 <span class="keywordtype">int</span> n,
|
|
<a name="l00237"></a>00237 nread = 0,
|
|
<a name="l00238"></a>00238 status ;
|
|
<a name="l00239"></a>00239
|
|
<a name="l00240"></a>00240 <span class="keywordtype">char</span> buf[<a class="code" href="utils_8h.html#ea69486910da420cbfe816d80ecc8b0c">M_MAX_PDB_NAME_LEN</a>*2 + 6],
|
|
<a name="l00241"></a>00241 complexbuf[<a class="code" href="utils_8h.html#ea69486910da420cbfe816d80ecc8b0c">M_MAX_PDB_NAME_LEN</a>],
|
|
<a name="l00242"></a>00242 ligbuf[5];
|
|
<a name="l00243"></a>00243
|
|
<a name="l00244"></a>00244 <span class="comment">/* Loading data. */</span>
|
|
<a name="l00245"></a>00245 f = fopen(str_list_file, <span class="stringliteral">"r"</span>) ;
|
|
<a name="l00246"></a>00246 <span class="comment">/*</span>
|
|
<a name="l00247"></a>00247 <span class="comment"> printf(str_list_file);</span>
|
|
<a name="l00248"></a>00248 <span class="comment">*/</span>
|
|
<a name="l00249"></a>00249 <span class="keywordflow">if</span>(f) {
|
|
<a name="l00250"></a>00250 <span class="keywordflow">while</span>(fgets(buf, 210, f)) {
|
|
<a name="l00251"></a>00251 <span class="comment">/*</span>
|
|
<a name="l00252"></a>00252 <span class="comment"> printf("B: %s\n" , buf);</span>
|
|
<a name="l00253"></a>00253 <span class="comment">*/</span>
|
|
<a name="l00254"></a>00254 n = par-><a class="code" href="structs__dparams.html#04c48f5eb6778c9a5022588e507043d3">nfiles</a> ;
|
|
<a name="l00255"></a>00255 status = sscanf(buf, <span class="stringliteral">"%s\t%s"</span>, complexbuf, ligbuf) ;
|
|
<a name="l00256"></a>00256
|
|
<a name="l00257"></a>00257 <span class="keywordflow">if</span>(status < 2) {
|
|
<a name="l00258"></a>00258 <span class="comment">/*</span>
|
|
<a name="l00259"></a>00259 <span class="comment"> fprintf(stderr, "! Skipping row '%s' with bad format (status %d).\n",</span>
|
|
<a name="l00260"></a>00260 <span class="comment"> buf, status) ;</span>
|
|
<a name="l00261"></a>00261 <span class="comment">*/</span>
|
|
<a name="l00262"></a>00262 }
|
|
<a name="l00263"></a>00263 <span class="keywordflow">else</span> {
|
|
<a name="l00264"></a>00264 <span class="comment">/*</span>
|
|
<a name="l00265"></a>00265 <span class="comment"> printf("%s %s\n", complexbuf, ligbuf );</span>
|
|
<a name="l00266"></a>00266 <span class="comment">*/</span>
|
|
<a name="l00267"></a>00267 nread += <a class="code" href="dparams_8c.html#300ca3e1ebd9d45a74b6be88169fbbd4">add_complexe</a>(complexbuf, ligbuf, par) ;
|
|
<a name="l00268"></a>00268 }
|
|
<a name="l00269"></a>00269
|
|
<a name="l00270"></a>00270 }
|
|
<a name="l00271"></a>00271 }
|
|
<a name="l00272"></a>00272 <span class="keywordflow">else</span> {
|
|
<a name="l00273"></a>00273 fprintf(stderr, <span class="stringliteral">"! File %s doesn't exists\n"</span>, str_list_file) ;
|
|
<a name="l00274"></a>00274 }
|
|
<a name="l00275"></a>00275
|
|
<a name="l00276"></a>00276 <span class="keywordflow">return</span> nread ;
|
|
<a name="l00277"></a>00277 }
|
|
<a name="l00278"></a>00278 <span class="comment"></span>
|
|
<a name="l00279"></a>00279 <span class="comment">/**</span>
|
|
<a name="l00280"></a>00280 <span class="comment"> ## FUNCTION: </span>
|
|
<a name="l00281"></a>00281 <span class="comment"> add_complexe</span>
|
|
<a name="l00282"></a>00282 <span class="comment"> </span>
|
|
<a name="l00283"></a>00283 <span class="comment"> ## SPECIFICATION: </span>
|
|
<a name="l00284"></a>00284 <span class="comment"> Add a set of data to the list of set of data in the parameters. this function</span>
|
|
<a name="l00285"></a>00285 <span class="comment"> is used for the tpocket program only.</span>
|
|
<a name="l00286"></a>00286 <span class="comment"> </span>
|
|
<a name="l00287"></a>00287 <span class="comment"> The function will try to open the file, and data will be stored only if the</span>
|
|
<a name="l00288"></a>00288 <span class="comment"> file exists, and if the name of the ligand is valid.</span>
|
|
<a name="l00289"></a>00289 <span class="comment"> </span>
|
|
<a name="l00290"></a>00290 <span class="comment"> ## PARAMETERS:</span>
|
|
<a name="l00291"></a>00291 <span class="comment"> @ char *apo : The apo path</span>
|
|
<a name="l00292"></a>00292 <span class="comment"> @ char *complex : The complex path</span>
|
|
<a name="l00293"></a>00293 <span class="comment"> @ char *ligan : The ligand resname: a 4 letter (max!) </span>
|
|
<a name="l00294"></a>00294 <span class="comment"> @ s_dparams *par: The structure than contains parameters.</span>
|
|
<a name="l00295"></a>00295 <span class="comment"> </span>
|
|
<a name="l00296"></a>00296 <span class="comment"> ## RETURN: </span>
|
|
<a name="l00297"></a>00297 <span class="comment"> int: 1 if everything is OK, 0 if not.</span>
|
|
<a name="l00298"></a>00298 <span class="comment"> </span>
|
|
<a name="l00299"></a>00299 <span class="comment">*/</span>
|
|
<a name="l00300"></a><a class="code" href="dparams_8h.html#300ca3e1ebd9d45a74b6be88169fbbd4">00300</a> <span class="keywordtype">int</span> <a class="code" href="dparams_8c.html#300ca3e1ebd9d45a74b6be88169fbbd4">add_complexe</a>(<span class="keywordtype">char</span> *complex, <span class="keywordtype">char</span> *ligand, <a class="code" href="structs__dparams.html">s_dparams</a> *par)
|
|
<a name="l00301"></a>00301 {
|
|
<a name="l00302"></a>00302 <span class="keywordtype">int</span> nm1, i, l ;
|
|
<a name="l00303"></a>00303
|
|
<a name="l00304"></a>00304 FILE *f = <a class="code" href="utils_8c.html#8ec5b0b9f097dc4fc2807ca47d242ac9">fopen_pdb_check_case</a>(complex, <span class="stringliteral">"r"</span>) ;
|
|
<a name="l00305"></a>00305 <span class="keywordflow">if</span>(f) {
|
|
<a name="l00306"></a>00306 l = strlen(ligand) ;
|
|
<a name="l00307"></a>00307 <span class="keywordflow">if</span>(strlen(ligand) >= 2) {
|
|
<a name="l00308"></a>00308 <span class="keywordflow">for</span>(i = 0 ; i < l ; i++) ligand[i] = toupper(ligand[i]) ;
|
|
<a name="l00309"></a>00309
|
|
<a name="l00310"></a>00310 nm1 = par-><a class="code" href="structs__dparams.html#04c48f5eb6778c9a5022588e507043d3">nfiles</a> ;
|
|
<a name="l00311"></a>00311 par-><a class="code" href="structs__dparams.html#04c48f5eb6778c9a5022588e507043d3">nfiles</a> += 1 ;
|
|
<a name="l00312"></a>00312
|
|
<a name="l00313"></a>00313 par-><a class="code" href="structs__dparams.html#d3fbaf401c68c3abf7ef662259e547d6">ligs</a> = (<span class="keywordtype">char</span>**) <a class="code" href="memhandler_8c.html#ede15d67c845c05e9b2bfb59b8ab6cf7">my_realloc</a>(par-><a class="code" href="structs__dparams.html#d3fbaf401c68c3abf7ef662259e547d6">ligs</a>, (par-><a class="code" href="structs__dparams.html#04c48f5eb6778c9a5022588e507043d3">nfiles</a>)*<span class="keyword">sizeof</span>(<span class="keywordtype">char</span>*)) ;
|
|
<a name="l00314"></a>00314 par-><a class="code" href="structs__dparams.html#a98295f566006ae97eef0628a9c94a86">fcomplex</a> = (<span class="keywordtype">char</span>**) <a class="code" href="memhandler_8c.html#ede15d67c845c05e9b2bfb59b8ab6cf7">my_realloc</a>(par-><a class="code" href="structs__dparams.html#a98295f566006ae97eef0628a9c94a86">fcomplex</a>, (par-><a class="code" href="structs__dparams.html#04c48f5eb6778c9a5022588e507043d3">nfiles</a>)*<span class="keyword">sizeof</span>(<span class="keywordtype">char</span>*)) ;
|
|
<a name="l00315"></a>00315
|
|
<a name="l00316"></a>00316 par-><a class="code" href="structs__dparams.html#a98295f566006ae97eef0628a9c94a86">fcomplex</a>[nm1] = (<span class="keywordtype">char</span> *)<a class="code" href="memhandler_8c.html#52d7260a38c396cb2dd1dd7abcfd61cb">my_malloc</a>((strlen(complex)+1)*<span class="keyword">sizeof</span>(<span class="keywordtype">char</span>)) ;
|
|
<a name="l00317"></a>00317 par-><a class="code" href="structs__dparams.html#d3fbaf401c68c3abf7ef662259e547d6">ligs</a>[nm1] = (<span class="keywordtype">char</span> *)<a class="code" href="memhandler_8c.html#52d7260a38c396cb2dd1dd7abcfd61cb">my_malloc</a>((strlen(ligand)+1)*<span class="keyword">sizeof</span>(<span class="keywordtype">char</span>)) ;
|
|
<a name="l00318"></a>00318
|
|
<a name="l00319"></a>00319 strcpy(par-><a class="code" href="structs__dparams.html#a98295f566006ae97eef0628a9c94a86">fcomplex</a>[nm1], complex) ;
|
|
<a name="l00320"></a>00320 strcpy(par-><a class="code" href="structs__dparams.html#d3fbaf401c68c3abf7ef662259e547d6">ligs</a>[nm1], ligand) ;
|
|
<a name="l00321"></a>00321
|
|
<a name="l00322"></a>00322 fclose(f) ;
|
|
<a name="l00323"></a>00323 }
|
|
<a name="l00324"></a>00324 <span class="keywordflow">else</span> {
|
|
<a name="l00325"></a>00325 fprintf(stdout, <span class="stringliteral">"! The name given for the ligand is invalid or absent.\n"</span>) ;
|
|
<a name="l00326"></a>00326 fclose(f) ;
|
|
<a name="l00327"></a>00327 <span class="keywordflow">return</span> 0 ;
|
|
<a name="l00328"></a>00328 }
|
|
<a name="l00329"></a>00329
|
|
<a name="l00330"></a>00330 }
|
|
<a name="l00331"></a>00331 <span class="keywordflow">else</span> {
|
|
<a name="l00332"></a>00332 fprintf(stdout, <span class="stringliteral">"! The pdb file '%s' doesn't exists.\n"</span>, complex) ;
|
|
<a name="l00333"></a>00333 <span class="keywordflow">return</span> 0 ;
|
|
<a name="l00334"></a>00334 }
|
|
<a name="l00335"></a>00335
|
|
<a name="l00336"></a>00336 <span class="keywordflow">return</span> 1 ;
|
|
<a name="l00337"></a>00337 }
|
|
<a name="l00338"></a>00338 <span class="comment"></span>
|
|
<a name="l00339"></a>00339 <span class="comment">/**</span>
|
|
<a name="l00340"></a>00340 <span class="comment"> ## FUNCTION: </span>
|
|
<a name="l00341"></a>00341 <span class="comment"> parse_dist_crit</span>
|
|
<a name="l00342"></a>00342 <span class="comment"> </span>
|
|
<a name="l00343"></a>00343 <span class="comment"> ## SPECIFICATION: </span>
|
|
<a name="l00344"></a>00344 <span class="comment"> Parsing function for the distance criteria defining the protein-ligand </span>
|
|
<a name="l00345"></a>00345 <span class="comment"> interface.</span>
|
|
<a name="l00346"></a>00346 <span class="comment"> </span>
|
|
<a name="l00347"></a>00347 <span class="comment"> ## PARAMETERS:</span>
|
|
<a name="l00348"></a>00348 <span class="comment"> @ char *str : The string to parse</span>
|
|
<a name="l00349"></a>00349 <span class="comment"> @ s_dparams *p : The structure than will contain the parsed parameter</span>
|
|
<a name="l00350"></a>00350 <span class="comment"> </span>
|
|
<a name="l00351"></a>00351 <span class="comment"> ## RETURN: </span>
|
|
<a name="l00352"></a>00352 <span class="comment"> 0 if the parameter is valid (here a valid integer), 1 if not</span>
|
|
<a name="l00353"></a>00353 <span class="comment"> </span>
|
|
<a name="l00354"></a>00354 <span class="comment">*/</span>
|
|
<a name="l00355"></a><a class="code" href="dparams_8h.html#1e7882763429519c63037bb44787ca4b">00355</a> <span class="keywordtype">int</span> <a class="code" href="dparams_8c.html#1e7882763429519c63037bb44787ca4b">parse_dist_crit</a>(<span class="keywordtype">char</span> *str, <a class="code" href="structs__dparams.html">s_dparams</a> *p)
|
|
<a name="l00356"></a>00356 {
|
|
<a name="l00357"></a>00357 <span class="keywordflow">if</span>(<a class="code" href="utils_8c.html#b2155f59a3e9691956e8501985f5f362">str_is_float</a>(str, <a class="code" href="utils_8h.html#1d2d01db9e7d6bb5200d8cfd398217d6">M_NO_SIGN</a>)) {
|
|
<a name="l00358"></a>00358 p-><a class="code" href="structs__dparams.html#09b829e05d79410ee1471242ab622cac">interface_dist_crit</a> = (float) atof(str) ;
|
|
<a name="l00359"></a>00359 }
|
|
<a name="l00360"></a>00360 <span class="keywordflow">else</span> {
|
|
<a name="l00361"></a>00361 fprintf(stdout, <span class="stringliteral">"! Invalid value (%s) given for the distance criteria defining the protein-ligand interface.\n"</span>, str) ;
|
|
<a name="l00362"></a>00362 <span class="keywordflow">return</span> 1 ;
|
|
<a name="l00363"></a>00363 }
|
|
<a name="l00364"></a>00364
|
|
<a name="l00365"></a>00365 <span class="keywordflow">return</span> 0 ;
|
|
<a name="l00366"></a>00366 }
|
|
<a name="l00367"></a>00367 <span class="comment"></span>
|
|
<a name="l00368"></a>00368 <span class="comment">/**</span>
|
|
<a name="l00369"></a>00369 <span class="comment"> ## FUNCTION: </span>
|
|
<a name="l00370"></a>00370 <span class="comment"> print_dparams</span>
|
|
<a name="l00371"></a>00371 <span class="comment"> </span>
|
|
<a name="l00372"></a>00372 <span class="comment"> ## SPECIFICATION: </span>
|
|
<a name="l00373"></a>00373 <span class="comment"> Print function, usefull to debug</span>
|
|
<a name="l00374"></a>00374 <span class="comment"> </span>
|
|
<a name="l00375"></a>00375 <span class="comment"> ## PARAMETRES:</span>
|
|
<a name="l00376"></a>00376 <span class="comment"> @ s_dparams *p : The structure than will contain the parsed parameter</span>
|
|
<a name="l00377"></a>00377 <span class="comment"> @ FILE *f : The file to write in</span>
|
|
<a name="l00378"></a>00378 <span class="comment"> </span>
|
|
<a name="l00379"></a>00379 <span class="comment"> ## RETURN: </span>
|
|
<a name="l00380"></a>00380 <span class="comment"> void</span>
|
|
<a name="l00381"></a>00381 <span class="comment"> </span>
|
|
<a name="l00382"></a>00382 <span class="comment">*/</span>
|
|
<a name="l00383"></a><a class="code" href="dparams_8h.html#06ed3fb78ed2fcd4a491f4b28829e538">00383</a> <span class="keywordtype">void</span> <a class="code" href="dparams_8c.html#06ed3fb78ed2fcd4a491f4b28829e538">print_dparams</a>(<a class="code" href="structs__dparams.html">s_dparams</a> *p, FILE *f)
|
|
<a name="l00384"></a>00384 {
|
|
<a name="l00385"></a>00385
|
|
<a name="l00386"></a>00386 <span class="keywordflow">if</span>(p) {
|
|
<a name="l00387"></a>00387 fprintf(f, <span class="stringliteral">"==============\nParameters of the program: \n"</span>);
|
|
<a name="l00388"></a>00388 <span class="keywordtype">int</span> i ;
|
|
<a name="l00389"></a>00389 <span class="keywordflow">for</span>(i = 0 ; i < p-><a class="code" href="structs__dparams.html#04c48f5eb6778c9a5022588e507043d3">nfiles</a> ; i++) {
|
|
<a name="l00390"></a>00390 fprintf(f, <span class="stringliteral">"> Protein %d: '%s', '%s'\n"</span>, i+1, p-><a class="code" href="structs__dparams.html#a98295f566006ae97eef0628a9c94a86">fcomplex</a>[i], p-><a class="code" href="structs__dparams.html#d3fbaf401c68c3abf7ef662259e547d6">ligs</a>[i]) ;
|
|
<a name="l00391"></a>00391 }
|
|
<a name="l00392"></a>00392
|
|
<a name="l00393"></a>00393 <span class="keywordflow">if</span>(p-><a class="code" href="structs__dparams.html#f48783ed6b360f7a3e83eb4c7ae11300">interface_method</a> == <a class="code" href="dparams_8h.html#cefcbcb3b4a22d32a05b6b2e931334b4">M_INTERFACE_METHOD1</a>)
|
|
<a name="l00394"></a>00394 fprintf(f, <span class="stringliteral">"> Method used to define explicitely the interface atoms: contacted atom by alpha spheres.\n"</span>) ;
|
|
<a name="l00395"></a>00395 <span class="keywordflow">else</span> fprintf(f, <span class="stringliteral">"> Method used to define explicitely the interface atoms: ligand's neighbors.\n"</span>) ;
|
|
<a name="l00396"></a>00396
|
|
<a name="l00397"></a>00397 fprintf(f, <span class="stringliteral">"> Distance used to define explicitely the interface: %f.\n"</span>,
|
|
<a name="l00398"></a>00398 p-><a class="code" href="structs__dparams.html#09b829e05d79410ee1471242ab622cac">interface_dist_crit</a>) ;
|
|
<a name="l00399"></a>00399
|
|
<a name="l00400"></a>00400 fprintf(f, <span class="stringliteral">"==============\n"</span>);
|
|
<a name="l00401"></a>00401 }
|
|
<a name="l00402"></a>00402 <span class="keywordflow">else</span> fprintf(f, <span class="stringliteral">"> No parameters detected\n"</span>);
|
|
<a name="l00403"></a>00403 }
|
|
<a name="l00404"></a>00404 <span class="comment"></span>
|
|
<a name="l00405"></a>00405 <span class="comment">/**</span>
|
|
<a name="l00406"></a>00406 <span class="comment"> ## FUNCTION: </span>
|
|
<a name="l00407"></a>00407 <span class="comment"> print_dparams_usage</span>
|
|
<a name="l00408"></a>00408 <span class="comment"> </span>
|
|
<a name="l00409"></a>00409 <span class="comment"> ## SPECIFICATION: </span>
|
|
<a name="l00410"></a>00410 <span class="comment"> Displaying usage of the programm in the given buffer</span>
|
|
<a name="l00411"></a>00411 <span class="comment"> </span>
|
|
<a name="l00412"></a>00412 <span class="comment"> ## PARAMETRES:</span>
|
|
<a name="l00413"></a>00413 <span class="comment"> @ FILE *f: buffer to print in</span>
|
|
<a name="l00414"></a>00414 <span class="comment"> </span>
|
|
<a name="l00415"></a>00415 <span class="comment"> ## RETURN: </span>
|
|
<a name="l00416"></a>00416 <span class="comment"> </span>
|
|
<a name="l00417"></a>00417 <span class="comment">*/</span>
|
|
<a name="l00418"></a><a class="code" href="dparams_8h.html#4d9ba39c7b1219bd7758b7d479d1b47e">00418</a> <span class="keywordtype">void</span> <a class="code" href="dparams_8c.html#4d9ba39c7b1219bd7758b7d479d1b47e">print_dpocket_usage</a>(FILE *f)
|
|
<a name="l00419"></a>00419 {
|
|
<a name="l00420"></a>00420 f = (f == NULL) ? stdout:f ;
|
|
<a name="l00421"></a>00421
|
|
<a name="l00422"></a>00422 fprintf(f, <a class="code" href="dparams_8h.html#0905e7f06509f8460ef006f086887671">M_DP_USAGE</a>) ;
|
|
<a name="l00423"></a>00423 }
|
|
<a name="l00424"></a>00424 <span class="comment"></span>
|
|
<a name="l00425"></a>00425 <span class="comment">/**</span>
|
|
<a name="l00426"></a>00426 <span class="comment"> ## FUNCTION: </span>
|
|
<a name="l00427"></a>00427 <span class="comment"> free_params</span>
|
|
<a name="l00428"></a>00428 <span class="comment"> </span>
|
|
<a name="l00429"></a>00429 <span class="comment"> ## SPECIFICATION: </span>
|
|
<a name="l00430"></a>00430 <span class="comment"> Free parameters</span>
|
|
<a name="l00431"></a>00431 <span class="comment"> </span>
|
|
<a name="l00432"></a>00432 <span class="comment"> ## PARAMETRES: </span>
|
|
<a name="l00433"></a>00433 <span class="comment"> @ s_dparams *p: Pointer to the structure to free</span>
|
|
<a name="l00434"></a>00434 <span class="comment"> </span>
|
|
<a name="l00435"></a>00435 <span class="comment"> ## RETURN: </span>
|
|
<a name="l00436"></a>00436 <span class="comment"> void</span>
|
|
<a name="l00437"></a>00437 <span class="comment"> </span>
|
|
<a name="l00438"></a>00438 <span class="comment">*/</span>
|
|
<a name="l00439"></a><a class="code" href="dparams_8h.html#828ec187d6c18322a19e51c14759408f">00439</a> <span class="keywordtype">void</span> <a class="code" href="dparams_8c.html#828ec187d6c18322a19e51c14759408f">free_dparams</a>(<a class="code" href="structs__dparams.html">s_dparams</a> *p)
|
|
<a name="l00440"></a>00440 {
|
|
<a name="l00441"></a>00441 <span class="keywordflow">if</span>(p) {
|
|
<a name="l00442"></a>00442 <span class="keywordflow">if</span>(p-><a class="code" href="structs__dparams.html#d3fbaf401c68c3abf7ef662259e547d6">ligs</a>) {
|
|
<a name="l00443"></a>00443 <a class="code" href="memhandler_8c.html#a49400242a007d208c641f79856ea4c6">my_free</a>(p-><a class="code" href="structs__dparams.html#d3fbaf401c68c3abf7ef662259e547d6">ligs</a>) ;
|
|
<a name="l00444"></a>00444 p-><a class="code" href="structs__dparams.html#d3fbaf401c68c3abf7ef662259e547d6">ligs</a> = NULL ;
|
|
<a name="l00445"></a>00445 }
|
|
<a name="l00446"></a>00446
|
|
<a name="l00447"></a>00447 <span class="keywordflow">if</span>(p-><a class="code" href="structs__dparams.html#a98295f566006ae97eef0628a9c94a86">fcomplex</a>) {
|
|
<a name="l00448"></a>00448 <a class="code" href="memhandler_8c.html#a49400242a007d208c641f79856ea4c6">my_free</a>(p-><a class="code" href="structs__dparams.html#a98295f566006ae97eef0628a9c94a86">fcomplex</a>) ;
|
|
<a name="l00449"></a>00449 p-><a class="code" href="structs__dparams.html#a98295f566006ae97eef0628a9c94a86">fcomplex</a> = NULL ;
|
|
<a name="l00450"></a>00450 }
|
|
<a name="l00451"></a>00451
|
|
<a name="l00452"></a>00452 <span class="keywordflow">if</span>(p-><a class="code" href="structs__dparams.html#eed722b226fde5c51dfa3e2f83d9a6d3">f_exp</a>) {
|
|
<a name="l00453"></a>00453 <a class="code" href="memhandler_8c.html#a49400242a007d208c641f79856ea4c6">my_free</a>(p-><a class="code" href="structs__dparams.html#eed722b226fde5c51dfa3e2f83d9a6d3">f_exp</a>) ;
|
|
<a name="l00454"></a>00454 p-><a class="code" href="structs__dparams.html#eed722b226fde5c51dfa3e2f83d9a6d3">f_exp</a> = NULL ;
|
|
<a name="l00455"></a>00455 }
|
|
<a name="l00456"></a>00456
|
|
<a name="l00457"></a>00457 <span class="keywordflow">if</span>(p-><a class="code" href="structs__dparams.html#3f14e5f303fbf919cd6f9abab8505c68">f_fpckp</a>) {
|
|
<a name="l00458"></a>00458 <a class="code" href="memhandler_8c.html#a49400242a007d208c641f79856ea4c6">my_free</a>(p-><a class="code" href="structs__dparams.html#3f14e5f303fbf919cd6f9abab8505c68">f_fpckp</a>) ;
|
|
<a name="l00459"></a>00459 p-><a class="code" href="structs__dparams.html#3f14e5f303fbf919cd6f9abab8505c68">f_fpckp</a> = NULL ;
|
|
<a name="l00460"></a>00460 }
|
|
<a name="l00461"></a>00461
|
|
<a name="l00462"></a>00462 <span class="keywordflow">if</span>(p-><a class="code" href="structs__dparams.html#b1b7fc562b81d0670f3044252a2d4c34">f_fpcknp</a>) {
|
|
<a name="l00463"></a>00463 <a class="code" href="memhandler_8c.html#a49400242a007d208c641f79856ea4c6">my_free</a>(p-><a class="code" href="structs__dparams.html#b1b7fc562b81d0670f3044252a2d4c34">f_fpcknp</a>) ;
|
|
<a name="l00464"></a>00464 p-><a class="code" href="structs__dparams.html#b1b7fc562b81d0670f3044252a2d4c34">f_fpcknp</a> = NULL ;
|
|
<a name="l00465"></a>00465 }
|
|
<a name="l00466"></a>00466
|
|
<a name="l00467"></a>00467 <a class="code" href="fparams_8c.html#112335ac520ae98bdcf93e0c75c3c5db">free_fparams</a>(p-><a class="code" href="structs__dparams.html#84c3e94630fcd2402fd190aad5a0ffbf">fpar</a>) ;
|
|
<a name="l00468"></a>00468
|
|
<a name="l00469"></a>00469 <a class="code" href="memhandler_8c.html#a49400242a007d208c641f79856ea4c6">my_free</a>(p) ;
|
|
<a name="l00470"></a>00470 }
|
|
<a name="l00471"></a>00471 }
|
|
</pre></div></div>
|
|
<hr size="1"><address style="text-align: right;"><small>Generated on Sun Jul 5 22:10:40 2009 for fpocket by
|
|
<a href="http://www.doxygen.org/index.html">
|
|
<img src="doxygen.png" alt="doxygen" align="middle" border="0"></a> 1.5.9 </small></address>
|
|
</body>
|
|
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|