| /** @defgroup Vmgrid Vmgrid class | |
| * @brief Oracle for Cartesian mesh data | |
| */ | |
| /** | |
| * @file vmgrid.h | |
| * @ingroup Vmgrid | |
| * @author Nathan Baker | |
| * @brief Multiresolution oracle for Cartesian mesh data | |
| * @version $Id$ | |
| * | |
| * @attention | |
| * @verbatim | |
| * | |
| * 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) 2010-2020 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. | |
| * | |
| * @endverbatim | |
| */ | |
| /** @def VMGRIDMAX | |
| * @brief The maximum number of levels in the grid hiearchy | |
| * @ingroup Vmgrid | |
| */ | |
| /** | |
| * @ingroup Vmgrid | |
| * @author Nathan Baker | |
| * @brief Multiresoltion oracle for Cartesian mesh data | |
| */ | |
| struct sVmgrid { | |
| int ngrids; /**< Number of grids in hiearchy */ | |
| Vgrid *grids[VMGRIDMAX]; /**< Grids in hiearchy. Our convention will be | |
| * to have the finest grid first, however, | |
| * this will not be enforced as it may be | |
| * useful to search multiple grids for | |
| * parallel datasets, etc. */ | |
| }; | |
| /** | |
| * @ingroup Vmgrid | |
| * @brief Declaration of the Vmgrid class as the Vgmrid structure | |
| */ | |
| typedef struct sVmgrid Vmgrid; | |
| /** @brief Construct Vmgrid object | |
| * @ingroup Vmgrid | |
| * @author Nathan Baker | |
| * @returns Newly allocated and initialized Vmgrid object | |
| */ | |
| VEXTERNC Vmgrid* Vmgrid_ctor(); | |
| /** @brief Initialize Vmgrid object | |
| * @ingroup Vmgrid | |
| * @author Nathan Baker | |
| * @param thee Newly allocated Vmgrid object | |
| * @returns Newly allocated and initialized Vmgrid object | |
| */ | |
| VEXTERNC int Vmgrid_ctor2(Vmgrid *thee); | |
| /** @brief Get potential value (from mesh or approximation) at a point | |
| * @ingroup Vmgrid | |
| * @author Nathan Baker | |
| * @param thee Vmgrid obejct | |
| * @param x Point at which to evaluate potential | |
| * @param value Value of data at point x | |
| * @return 1 if successful, 0 if off grid | |
| */ | |
| VEXTERNC int Vmgrid_value(Vmgrid *thee, double x[3], double *value); | |
| /** @brief Object destructor | |
| * @ingroup Vmgrid | |
| * @author Nathan Baker | |
| * @param thee Pointer to memory location of object to be destroyed | |
| */ | |
| VEXTERNC void Vmgrid_dtor(Vmgrid **thee); | |
| /** @brief FORTRAN stub object destructor | |
| * @ingroup Vmgrid | |
| * @author Nathan Baker | |
| * @param thee Pointer to object to be destroyed | |
| */ | |
| VEXTERNC void Vmgrid_dtor2(Vmgrid *thee); | |
| /** @brief Add a grid to the hierarchy | |
| * @ingroup Vmgrid | |
| * @author Nathan Baker | |
| * @param thee Pointer to object to be destroyed | |
| * @param grid Grid to be added. As mentioned above, we would prefer to | |
| * have the finest grid added first, next-finest second, ..., | |
| * coarsest last -- this is how the grid will be searched when | |
| * looking up values for points. However, this is not enforced to | |
| * provide flexibility for cases where the dataset is decomposed into | |
| * disjoint partitions, etc. | |
| * @returns 1 if successful, 0 otherwise | |
| */ | |
| VEXTERNC int Vmgrid_addGrid(Vmgrid *thee, Vgrid *grid); | |
| /** @brief Get second derivative values at a point | |
| * @ingroup Vmgrid | |
| * @author Nathan Baker (wrapper for Vgrid routine by Steve Bond) | |
| * @param thee Pointer to Vmgrid object | |
| * @param pt Location to evaluate second derivative | |
| * @param cflag | |
| * \li 0: Reduced Maximal Curvature | |
| * \li 1: Mean Curvature (Laplace) | |
| * \li 2: Gauss Curvature | |
| * \li 3: True Maximal Curvature | |
| * @param curv Specified curvature value | |
| * @return 1 if successful, 0 if off grid | |
| */ | |
| VEXTERNC int Vmgrid_curvature(Vmgrid *thee, double pt[3], int cflag, | |
| double *curv); | |
| /** @brief Get first derivative values at a point | |
| * @ingroup Vmgrid | |
| * @author Nathan Baker and Steve Bond | |
| * @param thee Pointer to Vmgrid object | |
| * @param pt Location to evaluate gradient | |
| * @param grad Gradient | |
| * @return 1 if successful, 0 if off grid | |
| */ | |
| VEXTERNC int Vmgrid_gradient(Vmgrid *thee, double pt[3], double grad[3] ); | |
| /** @brief Get specific grid in hiearchy | |
| * @ingroup Vmgrid | |
| * @author Nathan Baker | |
| * @param thee Pointer to Vmgrid object | |
| * @param num Number of grid in hiearchy | |
| * @return Pointer to specified grid | |
| */ | |
| VEXTERNC Vgrid* Vmgrid_getGridByNum(Vmgrid *thee, int num); | |
| /** @brief Get grid in hiearchy which contains specified point or VNULL | |
| * @ingroup Vmgrid | |
| * @author Nathan Baker | |
| * @param thee Pointer to Vmgrid object | |
| * @param pt Point to check | |
| * @return Pointer to specified grid | |
| */ | |
| VEXTERNC Vgrid* Vmgrid_getGridByPoint(Vmgrid *thee, double pt[3]); | |