Velocities and forces for selections.
[gromacs/qmmm-gamess-us.git] / include / 3dview.h
blobec3cea0543acb6158710582265b5f4cfbd6c938b
1 /*
2 *
3 * This source code is part of
4 *
5 * G R O M A C S
6 *
7 * GROningen MAchine for Chemical Simulations
8 *
9 * VERSION 3.2.0
10 * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others.
11 * Copyright (c) 1991-2000, University of Groningen, The Netherlands.
12 * Copyright (c) 2001-2004, The GROMACS development team,
13 * check out http://www.gromacs.org for more information.
15 * This program is free software; you can redistribute it and/or
16 * modify it under the terms of the GNU General Public License
17 * as published by the Free Software Foundation; either version 2
18 * of the License, or (at your option) any later version.
20 * If you want to redistribute modifications, please consider that
21 * scientific software is very special. Version control is crucial -
22 * bugs must be traceable. We will be happy to consider code for
23 * inclusion in the official distribution, but derived work must not
24 * be called official GROMACS. Details are found in the README & COPYING
25 * files - if they are missing, get the official version at www.gromacs.org.
27 * To help us fund GROMACS development, we humbly ask that you cite
28 * the papers on the package - you can find them in the top README file.
30 * For more info, check our website at http://www.gromacs.org
32 * And Hey:
33 * Gromacs Runs On Most of All Computer Systems
36 #ifndef _3dview_h
37 #define _3dview_h
39 #ifdef HAVE_CONFIG_H
40 #include <config.h>
41 #endif
43 #include <typedefs.h>
45 #ifdef __cplusplus
46 extern "C" {
47 #endif
49 #define WW 3
51 typedef real vec4[4];
53 typedef real mat4[4][4];
55 typedef int iv2[2];
57 typedef struct {
58 matrix box;
59 int ecenter; /* enum for centering, see pbc.h */
60 vec4 eye,origin; /* The eye and origin position */
61 mat4 proj; /* Projection matrix */
62 mat4 Rot; /* Total rotation matrix */
63 real sc_x,sc_y; /* Scaling for aspect ratio */
64 mat4 RotP[DIM]; /* state for 3d rotations */
65 mat4 RotM[DIM];
66 } t_3dview;
68 extern void print_m4(FILE *fp,const char *s,mat4 A);
70 extern void print_v4(FILE *fp,char *s,int dim,real *a);
72 extern void m4_op(mat4 m,rvec x,vec4 v);
74 extern void unity_m4(mat4 m);
76 extern void mult_matrix(mat4 A, mat4 B, mat4 C);
78 extern void rotate(int axis, real angle, mat4 A);
80 extern void translate(real tx, real ty, real tz, mat4 A);
82 extern void m4_op(mat4 m,rvec x,vec4 v);
84 extern void calculate_view(t_3dview *view);
86 extern t_3dview *init_view(matrix box);
87 /* Generate the view matrix from the eye pos and the origin,
88 * applying also the scaling for the aspect ration.
89 * There is no accompanying done_view routine: the struct can simply
90 * be sfree'd.
93 /* The following options are present on the 3d struct:
94 * zoom (scaling)
95 * rotate around the center of the box
96 * reset the view
99 extern bool zoom_3d(t_3dview *view,real fac);
100 /* Zoom in or out with factor fac, returns TRUE when zoom succesful,
101 * FALSE otherwise.
104 extern void init_rotate_3d(t_3dview *view);
105 /* Initiates the state of 3d rotation matrices in the structure */
107 extern void rotate_3d(t_3dview *view,int axis,bool bPositive);
108 /* Rotate the eye around the center of the box, around axis */
110 extern void translate_view(t_3dview *view,int axis,bool bPositive);
111 /* Translate the origin at which one is looking */
113 extern void reset_view(t_3dview *view);
114 /* Reset the viewing to the initial view */
116 #ifdef __cplusplus
118 #endif
120 #endif