include/matio.h

   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
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   9  *                        VERSION 3.2.0
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  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.
  14
  15  * This program is free software; you can redistribute it and/or
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  35
  36 #ifndef _matio_h
  37 #define _matio_h
  38
  39 #include "typedefs.h"
  40
  41 #ifdef __cplusplus
  42 extern "C" {
  43 #endif
  44
  45 gmx_bool matelmt_cmp(t_xpmelmt e1, t_xpmelmt e2);
  46
  47 t_matelmt searchcmap(int n,t_mapping map[],t_xpmelmt c);
  48 /* Seach in the map for code 'c' and return entry number.
  49  * return -1 if not found
  50  */
  51
  52 int getcmap(FILE *in,const char *fn,t_mapping **map);
  53 /* Read the mapping table from in, return number of entries */
  54
  55 int readcmap(const char *fn,t_mapping **map);
  56 /* Read the mapping table from fn, return number of entries */
  57
  58 void printcmap(FILE *out,int n,t_mapping map[]);
  59 /* print mapping table to out */
  60
  61 void writecmap(const char *fn,int n,t_mapping map[]);
  62 /* print mapping table to fn */
  63
  64 int read_xpm_matrix(const char *fnm, t_matrix **matrix);
  65 /* Reads a number of matrices from .xpm file fnm and returns this number */
  66
  67 real **matrix2real(t_matrix *matrix,real **mat);
  68 /* Converts an matrix in a t_matrix struct to a matrix of reals
  69  * When mat==NULL memory will be allocated
  70  * Returns NULL when something went wrong
  71  */
  72
  73 void write_xpm_m(FILE *out, t_matrix m);
  74 /* Writes a t_matrix struct to .xpm file */
  75
  76 void write_xpm3(FILE *out,unsigned int flags,
  77                        const char *title,const char *legend,
  78                        const char *label_x,const char *label_y,
  79                        int n_x,int n_y,real axis_x[],real axis_y[],
  80                        real *matrix[],real lo,real mid,real hi,
  81                        t_rgb rlo,t_rgb rmid,t_rgb rhi,int *nlevels);
  82 /* See write_xpm.
  83  * Writes a colormap varying as rlo -> rmid -> rhi.
  84  */
  85 void write_xpm_split(FILE *out,unsigned int flags,
  86                             const char *title,const char *legend,
  87                             const char *label_x,const char *label_y,
  88                             int n_x,int n_y,real axis_x[],real axis_y[],
  89                             real *matrix[],
  90                             real lo_top,real hi_top,int *nlevel_top,
  91                             t_rgb rlo_top,t_rgb rhi_top,
  92                             real lo_bot,real hi_bot,int *nlevel_bot,
  93                             gmx_bool bDiscreteColor,
  94                             t_rgb rlo_bot,t_rgb rhi_bot);
  95 /* See write_xpm.
  96  * Writes a colormap with separate above and below diagonal colormaps.
  97  * If bDiscrete then a colormap with 16 fixed colors is used, first  of
  98  * which is white.
  99  */
 100
 101 void write_xpm(FILE *out,unsigned int flags,
 102                       const char *title,const char *legend,
 103                       const char *label_x,const char *label_y,
 104                       int n_x,int n_y,real t_x[],real t_y[],
 105                       real *matrix[],real lo,real hi,
 106                       t_rgb rlo,t_rgb rhi,int *nlevels);
 107 /* out        xpm file
 108  * flags      flags, defined types/matrix.h
 109  *            MAT_SPATIAL_X
 110  *            MAT_SPATIAL_Y
 111  *            Defines if x and y are spatial dimensions,
 112  *            when not, there are n axis ticks at the middle of the elements,
 113  *            when set, there are n+1 axis ticks at the edges of the elements.
 114  * title      matrix title
 115  * legend     label for the continuous legend
 116  * label_x    label for the x-axis
 117  * label_y    label for the y-axis
 118  * n_x, n_y   size of the matrix
 119  * axis_x[]   the x-ticklabels (n_x or n_x+1)
 120  * axis_y[]   the y-ticklables (n_y or n_y+1)
 121  * *matrix[]  element x,y is matrix[x][y]
 122  * lo         output lower than lo is set to lo
 123  * hi         output higher than hi is set to hi
 124  * rlo        rgb value for level lo
 125  * rhi        rgb value for level hi
 126  * nlevels    number of color levels for the output
 127  */
 128
 129 real **mk_matrix(int nx, int ny, gmx_bool b1D);
 130
 131 void done_matrix(int nx, real ***m);
 132
 133 void clear_matrix(int nx, int ny, real **m);
 134
 135 #ifdef __cplusplus
 136 }
 137 #endif
 138
 139 #endif  /* _matio_h */