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<h1>mgparm.h File Reference</h1>Contains declarations for class MGparm.
<a href="#_details">More...</a>
<p>
<code>#include "maloc/maloc.h"</code><br>
<code>#include "<a class="el" href="vhal_8h-source.html">apbs/vhal.h</a>"</code><br>
<p>
<div class="dynheader">
Include dependency graph for mgparm.h:</div>
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<p><center><img src="mgparm_8h__incl.png" border="0" usemap="#mgparm.h_map" alt=""></center>
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<area shape="rect" href="vhal_8h.html" title="Contains generic macro definitions for APBS." alt="" coords="141,82,232,109"></map>
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This graph shows which files directly or indirectly include this file:</div>
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<p><center><img src="mgparm_8h__dep__incl.png" border="0" usemap="#mgparm.hdep_map" alt=""></center>
<map name="mgparm.hdep_map">
<area shape="rect" href="vpmg_8h.html" title="Contains declarations for class Vpmg." alt="" coords="178,157,245,184"><area shape="rect" href="apbs_8h.html" title="Top-level header for APBS." alt="" coords="296,232,357,258"><area shape="rect" href="mgparm_8c.html" title="Class MGparm methods." alt="" coords="61,306,141,333"><area shape="rect" href="main_8c.html" title="APBS "front end" program using formatted input files." alt="" coords="296,381,357,408"><area shape="rect" href="routines_8h.html" title="Header file for front end auxiliary routines." alt="" coords="414,306,497,333"><area shape="rect" href="routines_8c.html" title="Supporting routines for APBS front end." alt="" coords="454,381,534,408"><area shape="rect" href="vpmgp_8h.html" title="Contains declarations for class Vpmgp." alt="" coords="320,82,394,109"><area shape="rect" href="vpmgp_8c.html" title="Class Vpmgp methods." alt="" coords="370,157,445,184"><area shape="rect" href="nosh_8h.html" title="Contains declarations for class NOsh." alt="" coords="469,157,530,184"><area shape="rect" href="nosh_8c.html" title="Class NOsh methods." alt="" coords="537,232,598,258"><area shape="rect" href="vpmg-private_8h.html" title="Class Vpmg private method declaration." alt="" coords="160,232,272,258"><area shape="rect" href="vpmg_8c.html" title="Class Vpmg methods." alt="" coords="169,306,236,333"></map>
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<p>
<a href="mgparm_8h-source.html">Go to the source code of this file.</a><table border="0" cellpadding="0" cellspacing="0">
<tr><td></td></tr>
<tr><td colspan="2"><br><h2>Data Structures</h2></td></tr>
<tr><td class="memItemLeft" nowrap align="right" valign="top">struct </td><td class="memItemRight" valign="bottom"><a class="el" href="structsMGparm.html">sMGparm</a></td></tr>
<tr><td class="mdescLeft"> </td><td class="mdescRight">Parameter structure for MG-specific variables from input files. <a href="structsMGparm.html#_details">More...</a><br></td></tr>
<tr><td colspan="2"><br><h2>Typedefs</h2></td></tr>
<tr><td class="memItemLeft" nowrap align="right" valign="top"><a class="anchor" name="gcf31be9905f8e0ba1e083e1119b7cd1d"></a><!-- doxytag: member="mgparm.h::MGparm_CalcType" ref="gcf31be9905f8e0ba1e083e1119b7cd1d" args="" -->
typedef enum <a class="el" href="group__MGparm.html#gbaf271dcb16eb54b794cf2d5ffb7383a">eMGparm_CalcType</a> </td><td class="memItemRight" valign="bottom"><a class="el" href="group__MGparm.html#gcf31be9905f8e0ba1e083e1119b7cd1d">MGparm_CalcType</a></td></tr>
<tr><td class="mdescLeft"> </td><td class="mdescRight">Declare MGparm_CalcType type. <br></td></tr>
<tr><td class="memItemLeft" nowrap align="right" valign="top"><a class="anchor" name="g24ff41cba9df99f0ee193a886d05a002"></a><!-- doxytag: member="mgparm.h::MGparm_CentMeth" ref="g24ff41cba9df99f0ee193a886d05a002" args="" -->
typedef enum <a class="el" href="group__MGparm.html#g288c6efdfa01795a46a6cddea98bb2b6">eMGparm_CentMeth</a> </td><td class="memItemRight" valign="bottom"><a class="el" href="group__MGparm.html#g24ff41cba9df99f0ee193a886d05a002">MGparm_CentMeth</a></td></tr>
<tr><td class="mdescLeft"> </td><td class="mdescRight">Declare MGparm_CentMeth type. <br></td></tr>
<tr><td class="memItemLeft" nowrap align="right" valign="top"><a class="anchor" name="g0a4ec1528c052492a68ef95099bd6028"></a><!-- doxytag: member="mgparm.h::MGparm" ref="g0a4ec1528c052492a68ef95099bd6028" args="" -->
typedef struct <a class="el" href="structsMGparm.html">sMGparm</a> </td><td class="memItemRight" valign="bottom"><a class="el" href="group__MGparm.html#g0a4ec1528c052492a68ef95099bd6028">MGparm</a></td></tr>
<tr><td class="mdescLeft"> </td><td class="mdescRight">Declaration of the MGparm class as the MGparm structure. <br></td></tr>
<tr><td colspan="2"><br><h2>Enumerations</h2></td></tr>
<tr><td class="memItemLeft" nowrap align="right" valign="top">enum </td><td class="memItemRight" valign="bottom"><a class="el" href="group__MGparm.html#gbaf271dcb16eb54b794cf2d5ffb7383a">eMGparm_CalcType</a> { <br>
<a class="el" href="group__MGparm.html#ggbaf271dcb16eb54b794cf2d5ffb7383a3e778299ca81531f13fd66c2772fda2e">MCT_MANUAL</a> = 0,
<br>
<a class="el" href="group__MGparm.html#ggbaf271dcb16eb54b794cf2d5ffb7383a39ae2fbc9cbf9a90040110cf1b4bcd06">MCT_AUTO</a> = 1,
<br>
<a class="el" href="group__MGparm.html#ggbaf271dcb16eb54b794cf2d5ffb7383a002e1684dcccbd89ab59917d0e10eaf2">MCT_PARALLEL</a> = 2,
<br>
<a class="el" href="group__MGparm.html#ggbaf271dcb16eb54b794cf2d5ffb7383a61fe69e42d7df198965ad6425eeb0e74">MCT_DUMMY</a> = 3,
<br>
<a class="el" href="group__MGparm.html#ggbaf271dcb16eb54b794cf2d5ffb7383a50b761dfb9f12d50ab95de4c80e1f8ab">MCT_NONE</a> = 4
<br>
}</td></tr>
<tr><td class="mdescLeft"> </td><td class="mdescRight">Calculation type. <a href="group__MGparm.html#gbaf271dcb16eb54b794cf2d5ffb7383a">More...</a><br></td></tr>
<tr><td class="memItemLeft" nowrap align="right" valign="top">enum </td><td class="memItemRight" valign="bottom"><a class="el" href="group__MGparm.html#g288c6efdfa01795a46a6cddea98bb2b6">eMGparm_CentMeth</a> { <br>
<a class="el" href="group__MGparm.html#gg288c6efdfa01795a46a6cddea98bb2b6440bc74b8c3b6605859dc61ef6564b69">MCM_POINT</a> = 0,
<br>
<a class="el" href="group__MGparm.html#gg288c6efdfa01795a46a6cddea98bb2b631a490f0438591e2e78c8e1b9f7db555">MCM_MOLECULE</a> = 1,
<br>
<a class="el" href="group__MGparm.html#gg288c6efdfa01795a46a6cddea98bb2b6000f0c0b6869cb521a5935d3c2f164ba">MCM_FOCUS</a> = 2
<br>
}</td></tr>
<tr><td class="mdescLeft"> </td><td class="mdescRight">Centering method. <a href="group__MGparm.html#g288c6efdfa01795a46a6cddea98bb2b6">More...</a><br></td></tr>
<tr><td colspan="2"><br><h2>Functions</h2></td></tr>
<tr><td class="memItemLeft" nowrap align="right" valign="top">int </td><td class="memItemRight" valign="bottom"><a class="el" href="group__MGparm.html#g7b4aa2cb009d68ed013c2963e395d211">MGparm_getNx</a> (<a class="el" href="structsMGparm.html">MGparm</a> *thee)</td></tr>
<tr><td class="mdescLeft"> </td><td class="mdescRight">Get number of grid points in x direction. <a href="group__MGparm.html#g7b4aa2cb009d68ed013c2963e395d211"></a><br></td></tr>
<tr><td class="memItemLeft" nowrap align="right" valign="top">int </td><td class="memItemRight" valign="bottom"><a class="el" href="group__MGparm.html#g1fcee1eda14df6887d22328e0e996d94">MGparm_getNy</a> (<a class="el" href="structsMGparm.html">MGparm</a> *thee)</td></tr>
<tr><td class="mdescLeft"> </td><td class="mdescRight">Get number of grid points in y direction. <a href="group__MGparm.html#g1fcee1eda14df6887d22328e0e996d94"></a><br></td></tr>
<tr><td class="memItemLeft" nowrap align="right" valign="top">int </td><td class="memItemRight" valign="bottom"><a class="el" href="group__MGparm.html#g7e4e9b3ca59d1cafa761334453d9f900">MGparm_getNz</a> (<a class="el" href="structsMGparm.html">MGparm</a> *thee)</td></tr>
<tr><td class="mdescLeft"> </td><td class="mdescRight">Get number of grid points in z direction. <a href="group__MGparm.html#g7e4e9b3ca59d1cafa761334453d9f900"></a><br></td></tr>
<tr><td class="memItemLeft" nowrap align="right" valign="top">double </td><td class="memItemRight" valign="bottom"><a class="el" href="group__MGparm.html#gc9153c02e65edbfd7a77bfb946ed3cec">MGparm_getHx</a> (<a class="el" href="structsMGparm.html">MGparm</a> *thee)</td></tr>
<tr><td class="mdescLeft"> </td><td class="mdescRight">Get grid spacing in x direction (Å). <a href="group__MGparm.html#gc9153c02e65edbfd7a77bfb946ed3cec"></a><br></td></tr>
<tr><td class="memItemLeft" nowrap align="right" valign="top">double </td><td class="memItemRight" valign="bottom"><a class="el" href="group__MGparm.html#gfe6f7150f8886a3cd9df9b50d96afc2f">MGparm_getHy</a> (<a class="el" href="structsMGparm.html">MGparm</a> *thee)</td></tr>
<tr><td class="mdescLeft"> </td><td class="mdescRight">Get grid spacing in y direction (Å). <a href="group__MGparm.html#gfe6f7150f8886a3cd9df9b50d96afc2f"></a><br></td></tr>
<tr><td class="memItemLeft" nowrap align="right" valign="top">double </td><td class="memItemRight" valign="bottom"><a class="el" href="group__MGparm.html#gb9dfa5b0d19e10ab8f8d6f52ad5cb848">MGparm_getHz</a> (<a class="el" href="structsMGparm.html">MGparm</a> *thee)</td></tr>
<tr><td class="mdescLeft"> </td><td class="mdescRight">Get grid spacing in z direction (Å). <a href="group__MGparm.html#gb9dfa5b0d19e10ab8f8d6f52ad5cb848"></a><br></td></tr>
<tr><td class="memItemLeft" nowrap align="right" valign="top">void </td><td class="memItemRight" valign="bottom"><a class="el" href="group__MGparm.html#g0a7624e4460ff756ecc63929ef732173">MGparm_setCenterX</a> (<a class="el" href="structsMGparm.html">MGparm</a> *thee, double x)</td></tr>
<tr><td class="mdescLeft"> </td><td class="mdescRight">Set center x-coordinate. <a href="group__MGparm.html#g0a7624e4460ff756ecc63929ef732173"></a><br></td></tr>
<tr><td class="memItemLeft" nowrap align="right" valign="top">void </td><td class="memItemRight" valign="bottom"><a class="el" href="group__MGparm.html#g23dc863a0fbf1af70bf210671ef08dbe">MGparm_setCenterY</a> (<a class="el" href="structsMGparm.html">MGparm</a> *thee, double y)</td></tr>
<tr><td class="mdescLeft"> </td><td class="mdescRight">Set center y-coordinate. <a href="group__MGparm.html#g23dc863a0fbf1af70bf210671ef08dbe"></a><br></td></tr>
<tr><td class="memItemLeft" nowrap align="right" valign="top">void </td><td class="memItemRight" valign="bottom"><a class="el" href="group__MGparm.html#g40c7e5a72eb16131c4157be52eb7957f">MGparm_setCenterZ</a> (<a class="el" href="structsMGparm.html">MGparm</a> *thee, double z)</td></tr>
<tr><td class="mdescLeft"> </td><td class="mdescRight">Set center z-coordinate. <a href="group__MGparm.html#g40c7e5a72eb16131c4157be52eb7957f"></a><br></td></tr>
<tr><td class="memItemLeft" nowrap align="right" valign="top">double </td><td class="memItemRight" valign="bottom"><a class="el" href="group__MGparm.html#g8101ac2254412ad7b96fbc52780a54b8">MGparm_getCenterX</a> (<a class="el" href="structsMGparm.html">MGparm</a> *thee)</td></tr>
<tr><td class="mdescLeft"> </td><td class="mdescRight">Get center x-coordinate. <a href="group__MGparm.html#g8101ac2254412ad7b96fbc52780a54b8"></a><br></td></tr>
<tr><td class="memItemLeft" nowrap align="right" valign="top">double </td><td class="memItemRight" valign="bottom"><a class="el" href="group__MGparm.html#gace142d9c3b37af123e82919cc08abc7">MGparm_getCenterY</a> (<a class="el" href="structsMGparm.html">MGparm</a> *thee)</td></tr>
<tr><td class="mdescLeft"> </td><td class="mdescRight">Get center y-coordinate. <a href="group__MGparm.html#gace142d9c3b37af123e82919cc08abc7"></a><br></td></tr>
<tr><td class="memItemLeft" nowrap align="right" valign="top">double </td><td class="memItemRight" valign="bottom"><a class="el" href="group__MGparm.html#gcad18df76456293b1efc8d2dcbb1dab7">MGparm_getCenterZ</a> (<a class="el" href="structsMGparm.html">MGparm</a> *thee)</td></tr>
<tr><td class="mdescLeft"> </td><td class="mdescRight">Get center z-coordinate. <a href="group__MGparm.html#gcad18df76456293b1efc8d2dcbb1dab7"></a><br></td></tr>
<tr><td class="memItemLeft" nowrap align="right" valign="top"><a class="el" href="structsMGparm.html">MGparm</a> * </td><td class="memItemRight" valign="bottom"><a class="el" href="group__MGparm.html#g7f23d40f3e2ac0bef7fda8f137b79e77">MGparm_ctor</a> (<a class="el" href="group__MGparm.html#gcf31be9905f8e0ba1e083e1119b7cd1d">MGparm_CalcType</a> type)</td></tr>
<tr><td class="mdescLeft"> </td><td class="mdescRight">Construct MGparm object. <a href="group__MGparm.html#g7f23d40f3e2ac0bef7fda8f137b79e77"></a><br></td></tr>
<tr><td class="memItemLeft" nowrap align="right" valign="top">Vrc_Codes </td><td class="memItemRight" valign="bottom"><a class="el" href="group__MGparm.html#g466a05855cc2d96ec7e44416393a5fa9">MGparm_ctor2</a> (<a class="el" href="structsMGparm.html">MGparm</a> *thee, <a class="el" href="group__MGparm.html#gcf31be9905f8e0ba1e083e1119b7cd1d">MGparm_CalcType</a> type)</td></tr>
<tr><td class="mdescLeft"> </td><td class="mdescRight">FORTRAN stub to construct MGparm object. <a href="group__MGparm.html#g466a05855cc2d96ec7e44416393a5fa9"></a><br></td></tr>
<tr><td class="memItemLeft" nowrap align="right" valign="top">void </td><td class="memItemRight" valign="bottom"><a class="el" href="group__MGparm.html#g2685b777f90d06e30232b19f58dd98f1">MGparm_dtor</a> (<a class="el" href="structsMGparm.html">MGparm</a> **thee)</td></tr>
<tr><td class="mdescLeft"> </td><td class="mdescRight">Object destructor. <a href="group__MGparm.html#g2685b777f90d06e30232b19f58dd98f1"></a><br></td></tr>
<tr><td class="memItemLeft" nowrap align="right" valign="top">void </td><td class="memItemRight" valign="bottom"><a class="el" href="group__MGparm.html#g730e787085d89a88ce43067e261993f2">MGparm_dtor2</a> (<a class="el" href="structsMGparm.html">MGparm</a> *thee)</td></tr>
<tr><td class="mdescLeft"> </td><td class="mdescRight">FORTRAN stub for object destructor. <a href="group__MGparm.html#g730e787085d89a88ce43067e261993f2"></a><br></td></tr>
<tr><td class="memItemLeft" nowrap align="right" valign="top">Vrc_Codes </td><td class="memItemRight" valign="bottom"><a class="el" href="group__MGparm.html#g7b43586afccbfb290110c6359b660690">MGparm_check</a> (<a class="el" href="structsMGparm.html">MGparm</a> *thee)</td></tr>
<tr><td class="mdescLeft"> </td><td class="mdescRight">Consistency check for parameter values stored in object. <a href="group__MGparm.html#g7b43586afccbfb290110c6359b660690"></a><br></td></tr>
<tr><td class="memItemLeft" nowrap align="right" valign="top">void </td><td class="memItemRight" valign="bottom"><a class="el" href="group__MGparm.html#g4ccbc5493d44025b8b8b931cbe721100">MGparm_copy</a> (<a class="el" href="structsMGparm.html">MGparm</a> *thee, <a class="el" href="structsMGparm.html">MGparm</a> *parm)</td></tr>
<tr><td class="mdescLeft"> </td><td class="mdescRight">Copy MGparm object into thee. <a href="group__MGparm.html#g4ccbc5493d44025b8b8b931cbe721100"></a><br></td></tr>
<tr><td class="memItemLeft" nowrap align="right" valign="top">Vrc_Codes </td><td class="memItemRight" valign="bottom"><a class="el" href="group__MGparm.html#gd52fb3f1048ecc52e6cfaddcdf33445f">MGparm_parseToken</a> (<a class="el" href="structsMGparm.html">MGparm</a> *thee, char tok[VMAX_BUFSIZE], Vio *sock)</td></tr>
<tr><td class="mdescLeft"> </td><td class="mdescRight">Parse an MG keyword from an input file. <a href="group__MGparm.html#gd52fb3f1048ecc52e6cfaddcdf33445f"></a><br></td></tr>
</table>
<hr><a name="_details"></a><h2>Detailed Description</h2>
Contains declarations for class MGparm.
<p>
<dl class="version" compact><dt><b>Version:</b></dt><dd></dd></dl>
<dl class="rcs" compact><dt><b>Id</b></dt><dd><a class="el" href="mgparm_8h.html" title="Contains declarations for class MGparm.">mgparm.h</a> 1350 2009-02-12 00:38:48Z yhuang01 </dd></dl>
<dl class="author" compact><dt><b>Author:</b></dt><dd>Nathan A. Baker</dd></dl>
<dl class="attention" compact><dt><b>Attention:</b></dt><dd><div class="fragment"><pre class="fragment">
*
* APBS -- Adaptive Poisson-Boltzmann Solver
*
* Nathan A. Baker (baker@biochem.wustl.edu)
* Dept. of Biochemistry and Molecular Biophysics
* Center for Computational Biology
* Washington University in St. Louis
*
* Additional contributing authors listed in the code documentation.
*
* Copyright (c) 2002-2009, Washington University in St. Louis.
* Portions Copyright (c) 2002-2009. Nathan A. Baker
* Portions Copyright (c) 1999-2002. The Regents of the University of California.
* Portions Copyright (c) 1995. Michael Holst
*
* All rights reserved.
*
* Redistribution and use in source and binary forms, with or without
* modification, are permitted provided that the following conditions are met:
*
* - Redistributions of source code must retain the above copyright notice, this
* list of conditions and the following disclaimer.
*
* - Redistributions in binary form must reproduce the above copyright notice,
* this list of conditions and the following disclaimer in the documentation
* and/or other materials provided with the distribution.
*
* - Neither the name of Washington University in St. Louis nor the names of its
* contributors may be used to endorse or promote products derived from this
* software without specific prior written permission.
*
* THIS SOFTWARE IS PROVIDED BY THE COPYRIGHT HOLDERS AND CONTRIBUTORS
* "AS IS" AND ANY EXPRESS OR IMPLIED WARRANTIES, INCLUDING, BUT NOT
* LIMITED TO, THE IMPLIED WARRANTIES OF MERCHANTABILITY AND FITNESS FOR
* A PARTICULAR PURPOSE ARE DISCLAIMED. IN NO EVENT SHALL THE COPYRIGHT OWNER OR
* CONTRIBUTORS BE LIABLE FOR ANY DIRECT, INDIRECT, INCIDENTAL, SPECIAL,
* EXEMPLARY, OR CONSEQUENTIAL DAMAGES (INCLUDING, BUT NOT LIMITED TO,
* PROCUREMENT OF SUBSTITUTE GOODS OR SERVICES; LOSS OF USE, DATA, OR
* PROFITS; OR BUSINESS INTERRUPTION) HOWEVER CAUSED AND ON ANY THEORY OF
* LIABILITY, WHETHER IN CONTRACT, STRICT LIABILITY, OR TORT (INCLUDING
* NEGLIGENCE OR OTHERWISE) ARISING IN ANY WAY OUT OF THE USE OF THIS
* SOFTWARE, EVEN IF ADVISED OF THE POSSIBILITY OF SUCH DAMAGE.
*
* </pre></div> </dd></dl>
</div>
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