Removed refs to charmm files in share/top/Makefile.am
[gromacs/qmmm-gamess-us.git] / include / types / matrix.h
blob739f0141fec8ec48f51f7feefcb3beb60f9ee6b9
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 * GRoups of Organic Molecules in ACtion for Science
35 #ifdef HAVE_CONFIG_H
36 #include <config.h>
37 #endif
39 typedef struct {
40 real r,g,b;
41 } t_rgb;
43 typedef struct {
44 char c1; /* should all be non-zero (and printable and not '"') */
45 char c2; /*
46 * should all be zero (single char color names: smaller xpm's)
47 * or should all be non-zero (double char color names: more colors)
49 } t_xpmelmt;
51 typedef short t_matelmt;
53 typedef struct {
54 t_xpmelmt code; /* see comment for t_xpmelmt */
55 const char *desc;
56 t_rgb rgb;
57 } t_mapping;
59 #define MAT_SPATIAL_X (1<<0)
60 #define MAT_SPATIAL_Y (1<<1)
61 /* Defines if x and y are spatial dimensions,
62 * when not, there are n axis ticks at the middle of the elements,
63 * when set, there are n+1 axis ticks at the edges of the elements.
66 typedef struct {
67 unsigned int flags; /* The possible flags are defined above */
68 int nx,ny;
69 int y0;
70 char title[256];
71 char legend[256];
72 char label_x[256];
73 char label_y[256];
74 bool bDiscrete;
75 real *axis_x;
76 real *axis_y;
77 t_matelmt **matrix;
78 int nmap;
79 t_mapping *map;
80 } t_matrix;