1 /* 2 * This file is part of the GROMACS molecular simulation package. 3 * 4 * Copyright (c) 1991-2000, University of Groningen, The Netherlands. 5 * Copyright (c) 2001-2004, The GROMACS development team. 6 * Copyright (c) 2010,2014,2016,2018,2019, by the GROMACS development team, led by 7 * Mark Abraham, David van der Spoel, Berk Hess, and Erik Lindahl, 8 * and including many others, as listed in the AUTHORS file in the 9 * top-level source directory and at http://www.gromacs.org. 10 * 11 * GROMACS is free software; you can redistribute it and/or 12 * modify it under the terms of the GNU Lesser General Public License 13 * as published by the Free Software Foundation; either version 2.1 14 * of the License, or (at your option) any later version. 15 * 16 * GROMACS is distributed in the hope that it will be useful, 17 * but WITHOUT ANY WARRANTY; without even the implied warranty of 18 * MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU 19 * Lesser General Public License for more details. 20 * 21 * You should have received a copy of the GNU Lesser General Public 22 * License along with GROMACS; if not, see 23 * http://www.gnu.org/licenses, or write to the Free Software Foundation, 24 * Inc., 51 Franklin Street, Fifth Floor, Boston, MA 02110-1301 USA. 25 * 26 * If you want to redistribute modifications to GROMACS, please 27 * consider that scientific software is very special. Version 28 * control is crucial - bugs must be traceable. We will be happy to 29 * consider code for inclusion in the official distribution, but 30 * derived work must not be called official GROMACS. Details are found 31 * in the README & COPYING files - if they are missing, get the 32 * official version at http://www.gromacs.org. 33 * 34 * To help us fund GROMACS development, we humbly ask that you cite 35 * the research papers on the package. Check out http://www.gromacs.org. 36 */ 37 #ifndef GMX_MATH_3DTRANSFORMS_H 38 #define GMX_MATH_3DTRANSFORMS_H 39 40 #include <stdio.h> 41 42 #include "gromacs/math/vectypes.h" 43 #include "gromacs/utility/real.h" 44 45 /** Index for the fourth dimension for `vec4`. */ 46 #define WW 3 47 48 /*! \brief 49 * 4D vector type used in 3D transformations. 50 * 51 * In \Gromacs, only a limited set of 3D transformations are used, and all of 52 * them operate on coordinates, so the fourth element is assumed to be one and 53 * ignored in all contexts. 54 */ 55 typedef real vec4[4]; 56 57 /*! \brief 58 * 4D matrix type used in 3D transformations. 59 */ 60 typedef real mat4[4][4]; 61 62 void gmx_mat4_copy(mat4 a, mat4 b); 63 64 void gmx_mat4_transform_point(mat4 m, const rvec x, vec4 v); 65 66 /*! \brief 67 * Computes the product of two `mat4` matrices as A = B * C. 68 * 69 * Note that the order of operands is different from mmul() in vec.h! 70 */ 71 void gmx_mat4_mmul(mat4 A, mat4 B, mat4 C); 72 73 void gmx_mat4_init_unity(mat4 m); 74 75 void gmx_mat4_init_rotation(int axis, real angle, mat4 A); 76 77 void gmx_mat4_init_translation(real tx, real ty, real tz, mat4 A); 78 79 void gmx_mat4_print(FILE* fp, const char* s, mat4 A); 80 81 void gmx_vec4_print(FILE* fp, const char* s, vec4 a); 82 83 #endif 84