/usr/include/gromacs/math/3dtransforms.h is in libgromacs-dev 2018.1-1.
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* This file is part of the GROMACS molecular simulation package.
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#ifndef GMX_MATH_3DTRANSFORMS_H
#define GMX_MATH_3DTRANSFORMS_H
#include <stdio.h>
#include "gromacs/math/vectypes.h"
#include "gromacs/utility/real.h"
#ifdef __cplusplus
extern "C" {
#endif
/** Index for the fourth dimension for `vec4`. */
#define WW 3
/*! \brief
* 4D vector type used in 3D transformations.
*
* In \Gromacs, only a limited set of 3D transformations are used, and all of
* them operate on coordinates, so the fourth element is assumed to be one and
* ignored in all contexts.
*/
typedef real vec4[4];
/*! \brief
* 4D matrix type used in 3D transformations.
*/
typedef real mat4[4][4];
void gmx_mat4_copy(mat4 a, mat4 b);
void gmx_mat4_transform_point(mat4 m, const rvec x, vec4 v);
/*! \brief
* Computes the product of two `mat4` matrices as A = B * C.
*
* Note that the order of operands is different from mmul() in vec.h!
*/
void gmx_mat4_mmul(mat4 A, mat4 B, mat4 C);
void gmx_mat4_init_unity(mat4 m);
void gmx_mat4_init_rotation(int axis, real angle, mat4 A);
void gmx_mat4_init_translation(real tx, real ty, real tz, mat4 A);
void gmx_mat4_print(FILE *fp, const char *s, mat4 A);
void gmx_vec4_print(FILE *fp, const char *s, vec4 a);
#ifdef __cplusplus
}
#endif
#endif
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