APBS
1.4.1
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Contains declarations for class MGparm. More...
Go to the source code of this file.
Data Structures | |
struct | sMGparm |
Parameter structure for MG-specific variables from input files. More... | |
Typedefs | |
typedef enum eMGparm_CalcType | MGparm_CalcType |
Declare MGparm_CalcType type. | |
typedef enum eMGparm_CentMeth | MGparm_CentMeth |
Declare MGparm_CentMeth type. | |
typedef struct sMGparm | MGparm |
Declaration of the MGparm class as the MGparm structure. | |
Enumerations | |
enum | eMGparm_CalcType { MCT_MANUAL =0, MCT_AUTO =1, MCT_PARALLEL =2, MCT_DUMMY =3, MCT_NONE =4 } |
Calculation type. More... | |
enum | eMGparm_CentMeth { MCM_POINT =0, MCM_MOLECULE =1, MCM_FOCUS =2 } |
Centering method. More... | |
Functions | |
VEXTERNC int | MGparm_getNx (MGparm *thee) |
Get number of grid points in x direction. More... | |
VEXTERNC int | MGparm_getNy (MGparm *thee) |
Get number of grid points in y direction. More... | |
VEXTERNC int | MGparm_getNz (MGparm *thee) |
Get number of grid points in z direction. More... | |
VEXTERNC double | MGparm_getHx (MGparm *thee) |
Get grid spacing in x direction (Å) More... | |
VEXTERNC double | MGparm_getHy (MGparm *thee) |
Get grid spacing in y direction (Å) More... | |
VEXTERNC double | MGparm_getHz (MGparm *thee) |
Get grid spacing in z direction (Å) More... | |
VEXTERNC void | MGparm_setCenterX (MGparm *thee, double x) |
Set center x-coordinate. More... | |
VEXTERNC void | MGparm_setCenterY (MGparm *thee, double y) |
Set center y-coordinate. More... | |
VEXTERNC void | MGparm_setCenterZ (MGparm *thee, double z) |
Set center z-coordinate. More... | |
VEXTERNC double | MGparm_getCenterX (MGparm *thee) |
Get center x-coordinate. More... | |
VEXTERNC double | MGparm_getCenterY (MGparm *thee) |
Get center y-coordinate. More... | |
VEXTERNC double | MGparm_getCenterZ (MGparm *thee) |
Get center z-coordinate. More... | |
VEXTERNC MGparm * | MGparm_ctor (MGparm_CalcType type) |
Construct MGparm object. More... | |
VEXTERNC Vrc_Codes | MGparm_ctor2 (MGparm *thee, MGparm_CalcType type) |
FORTRAN stub to construct MGparm object. More... | |
VEXTERNC void | MGparm_dtor (MGparm **thee) |
Object destructor. More... | |
VEXTERNC void | MGparm_dtor2 (MGparm *thee) |
FORTRAN stub for object destructor. More... | |
VEXTERNC Vrc_Codes | MGparm_check (MGparm *thee) |
Consistency check for parameter values stored in object. More... | |
VEXTERNC void | MGparm_copy (MGparm *thee, MGparm *parm) |
Copy MGparm object into thee. More... | |
VEXTERNC Vrc_Codes | MGparm_parseToken (MGparm *thee, char tok[VMAX_BUFSIZE], Vio *sock) |
Parse an MG keyword from an input file. More... | |
Contains declarations for class MGparm.
* * APBS -- Adaptive Poisson-Boltzmann Solver * * Nathan A. Baker (nathan.baker@pnnl.gov) * Pacific Northwest National Laboratory * * Additional contributing authors listed in the code documentation. * * Copyright (c) 2010-2012 Battelle Memorial Institute. Developed at the * Pacific Northwest National Laboratory, operated by Battelle Memorial * Institute, Pacific Northwest Division for the U.S. Department of Energy. * * Portions Copyright (c) 2002-2010, Washington University in St. Louis. * Portions Copyright (c) 2002-2010, 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 the developer 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. * *
Definition in file mgparm.h.