src/gromacs/math/3dtransforms.h

   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, 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 #ifdef __cplusplus
  46 extern "C" {
  47 #endif
  48
  49 /** Index for the fourth dimension for `vec4`. */
  50 #define WW 3
  51
  52 /*! \brief
  53  * 4D vector type used in 3D transformations.
  54  *
  55  * In \Gromacs, only a limited set of 3D transformations are used, and all of
  56  * them operate on coordinates, so the fourth element is assumed to be one and
  57  * ignored in all contexts.
  58  */
  59 typedef real vec4[4];
  60
  61 /*! \brief
  62  * 4D matrix type used in 3D transformations.
  63  */
  64 typedef real mat4[4][4];
  65
  66 void gmx_mat4_copy(mat4 a, mat4 b);
  67
  68 void gmx_mat4_transform_point(mat4 m, const rvec x, vec4 v);
  69
  70 /*! \brief
  71  * Computes the product of two `mat4` matrices as A = B * C.
  72  *
  73  * Note that the order of operands is different from mmul() in vec.h!
  74  */
  75 void gmx_mat4_mmul(mat4 A, mat4 B, mat4 C);
  76
  77 void gmx_mat4_init_unity(mat4 m);
  78
  79 void gmx_mat4_init_rotation(int axis, real angle, mat4 A);
  80
  81 void gmx_mat4_init_translation(real tx, real ty, real tz, mat4 A);
  82
  83 void gmx_mat4_print(FILE *fp, const char *s, mat4 A);
  84
  85 void gmx_vec4_print(FILE *fp, const char *s, vec4 a);
  86
  87 #ifdef __cplusplus
  88 }
  89 #endif
  90
  91 #endif