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<h1>vopot.h File Reference</h1>Potential oracle for Cartesian mesh data.
<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>
<code>#include "<a class="el" href="vatom_8h-source.html">apbs/vatom.h</a>"</code><br>
<code>#include "<a class="el" href="valist_8h-source.html">apbs/valist.h</a>"</code><br>
<code>#include "<a class="el" href="vmgrid_8h-source.html">apbs/vmgrid.h</a>"</code><br>
<code>#include "<a class="el" href="vunit_8h-source.html">apbs/vunit.h</a>"</code><br>
<code>#include "<a class="el" href="vpbe_8h-source.html">apbs/vpbe.h</a>"</code><br>
<code>#include "<a class="el" href="pbeparm_8h-source.html">apbs/pbeparm.h</a>"</code><br>
<p>
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Include dependency graph for vopot.h:</div>
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<p><center><img src="vopot_8h__incl.png" border="0" usemap="#vopot.h_map" alt=""></center>
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<area shape="rect" href="vhal_8h.html" title="Contains generic macro definitions for APBS." alt="" coords="254,594,345,621"><area shape="rect" href="vatom_8h.html" title="Contains declarations for class Vatom." alt="" coords="965,445,1066,471"><area shape="rect" href="valist_8h.html" title="Contains declarations for class Valist." alt="" coords="768,370,864,397"><area shape="rect" href="vunit_8h.html" title="Contains a collection of useful constants and conversion factors." alt="" coords="1208,519,1304,546"><area shape="rect" href="vmgrid_8h.html" title="Multiresolution oracle for Cartesian mesh data." alt="" coords="372,370,478,397"><area shape="rect" href="vpbe_8h.html" title="Contains declarations for class Vpbe." alt="" coords="940,146,1033,173"><area shape="rect" href="pbeparm_8h.html" title="Contains declarations for class PBEparm." alt="" coords="362,519,480,546"><area shape="rect" href="vparam_8h.html" title="Contains declarations for class Vparam." alt="" coords="781,445,890,471"><area shape="rect" href="vstring_8h.html" title="Contains declarations for class Vstring." alt="" coords="605,519,712,546"><area shape="rect" href="vgrid_8h.html" title="Potential oracle for Cartesian mesh data." alt="" coords="410,445,506,471"><area shape="rect" href="vacc_8h.html" title="Contains declarations for class Vacc." alt="" coords="856,221,949,247"><area shape="rect" href="vclist_8h.html" title="Contains declarations for class Vclist." alt="" coords="938,295,1034,322"><area shape="rect" href="apolparm_8h-source.html" title="apbs/apolparm.h" alt="" coords="621,370,744,397"></map>
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This graph shows which files directly or indirectly include this file:</div>
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<area shape="rect" href="vopot_8c.html" title="Class Vopot methods." alt="" coords="42,82,109,109"><area shape="rect" href="apbs_8h.html" title="Top-level header for APBS." alt="" coords="133,82,194,109"><area shape="rect" href="mgparm_8c.html" title="Class MGparm methods." alt="" coords="8,157,88,184"><area shape="rect" href="main_8c.html" title="APBS "front end" program using formatted input files." alt="" coords="110,232,172,258"><area shape="rect" href="routines_8h.html" title="Header file for front end auxiliary routines." alt="" coords="162,157,245,184"><area shape="rect" href="routines_8c.html" title="Supporting routines for APBS front end." alt="" coords="226,232,306,258"></map>
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<p>
<a href="vopot_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="structsVopot.html">sVopot</a></td></tr>
<tr><td class="mdescLeft"> </td><td class="mdescRight">Electrostatic potential oracle for Cartesian mesh data. <a href="structsVopot.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="gb0d4ff9b02d756dca6d2c80c95c02ca6"></a><!-- doxytag: member="vopot.h::Vopot" ref="gb0d4ff9b02d756dca6d2c80c95c02ca6" args="" -->
typedef struct <a class="el" href="structsVopot.html">sVopot</a> </td><td class="memItemRight" valign="bottom"><a class="el" href="group__Vopot.html#gb0d4ff9b02d756dca6d2c80c95c02ca6">Vopot</a></td></tr>
<tr><td class="mdescLeft"> </td><td class="mdescRight">Declaration of the Vopot class as the Vopot structure. <br></td></tr>
<tr><td colspan="2"><br><h2>Functions</h2></td></tr>
<tr><td class="memItemLeft" nowrap align="right" valign="top"><a class="el" href="structsVopot.html">Vopot</a> * </td><td class="memItemRight" valign="bottom"><a class="el" href="group__Vopot.html#g50aa15e03c49b10c15146256c330f6a6">Vopot_ctor</a> (<a class="el" href="structsVmgrid.html">Vmgrid</a> *mgrid, <a class="el" href="structsVpbe.html">Vpbe</a> *pbe, <a class="el" href="group__Vhal.html#g470890a6ffbd7675ddc441a2e65263de">Vbcfl</a> bcfl)</td></tr>
<tr><td class="mdescLeft"> </td><td class="mdescRight">Construct Vopot object with values obtained from Vpmg_readDX (for example). <a href="group__Vopot.html#g50aa15e03c49b10c15146256c330f6a6"></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__Vopot.html#g2538632e1ea7116a3e12a8e5ee42fad0">Vopot_ctor2</a> (<a class="el" href="structsVopot.html">Vopot</a> *thee, <a class="el" href="structsVmgrid.html">Vmgrid</a> *mgrid, <a class="el" href="structsVpbe.html">Vpbe</a> *pbe, <a class="el" href="group__Vhal.html#g470890a6ffbd7675ddc441a2e65263de">Vbcfl</a> bcfl)</td></tr>
<tr><td class="mdescLeft"> </td><td class="mdescRight">Initialize Vopot object with values obtained from Vpmg_readDX (for example). <a href="group__Vopot.html#g2538632e1ea7116a3e12a8e5ee42fad0"></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__Vopot.html#g936fab88052505836ec090f21bfbd60d">Vopot_pot</a> (<a class="el" href="structsVopot.html">Vopot</a> *thee, double x[3], double *pot)</td></tr>
<tr><td class="mdescLeft"> </td><td class="mdescRight">Get potential value (from mesh or approximation) at a point. <a href="group__Vopot.html#g936fab88052505836ec090f21bfbd60d"></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__Vopot.html#g7c1ef28b6194767ee3e0c3ff808aa39f">Vopot_dtor</a> (<a class="el" href="structsVopot.html">Vopot</a> **thee)</td></tr>
<tr><td class="mdescLeft"> </td><td class="mdescRight">Object destructor. <a href="group__Vopot.html#g7c1ef28b6194767ee3e0c3ff808aa39f"></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__Vopot.html#g5369da67b59d76d8387b9d9c07764521">Vopot_dtor2</a> (<a class="el" href="structsVopot.html">Vopot</a> *thee)</td></tr>
<tr><td class="mdescLeft"> </td><td class="mdescRight">FORTRAN stub object destructor. <a href="group__Vopot.html#g5369da67b59d76d8387b9d9c07764521"></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__Vopot.html#g90e3f949c9090fce51cccde1563a94a2">Vopot_curvature</a> (<a class="el" href="structsVopot.html">Vopot</a> *thee, double pt[3], int cflag, double *curv)</td></tr>
<tr><td class="mdescLeft"> </td><td class="mdescRight">Get second derivative values at a point. <a href="group__Vopot.html#g90e3f949c9090fce51cccde1563a94a2"></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__Vopot.html#gd650182c6491be62ff8cbb4ebdc91ace">Vopot_gradient</a> (<a class="el" href="structsVopot.html">Vopot</a> *thee, double pt[3], double grad[3])</td></tr>
<tr><td class="mdescLeft"> </td><td class="mdescRight">Get first derivative values at a point. <a href="group__Vopot.html#gd650182c6491be62ff8cbb4ebdc91ace"></a><br></td></tr>
</table>
<hr><a name="_details"></a><h2>Detailed Description</h2>
Potential oracle for Cartesian mesh data.
<p>
<dl class="author" compact><dt><b>Author:</b></dt><dd>Nathan Baker </dd></dl>
<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="vopot_8h.html" title="Potential oracle for Cartesian mesh data.">vopot.h</a> 1350 2009-02-12 00:38:48Z yhuang01 </dd></dl>
<p>
<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>
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