Fixed precision in thermal expansion coefficient calc.
[gromacs.git] / include / matio.h
blob808ca3ea8b8ade83e1c34b36c9329f4145060903
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39 #ifndef _matio_h
40 #define _matio_h
41 #include "visibility.h"
42 #include "typedefs.h"
44 #ifdef __cplusplus
45 extern "C" {
46 #endif
48 GMX_LIBGMX_EXPORT
49 gmx_bool matelmt_cmp(t_xpmelmt e1, t_xpmelmt e2);
51 GMX_LIBGMX_EXPORT
52 t_matelmt searchcmap(int n, t_mapping map[], t_xpmelmt c);
53 /* Seach in the map for code 'c' and return entry number.
54 * return -1 if not found
57 GMX_LIBGMX_EXPORT
58 int getcmap(FILE *in, const char *fn, t_mapping **map);
59 /* Read the mapping table from in, return number of entries */
61 int readcmap(const char *fn, t_mapping **map);
62 /* Read the mapping table from fn, return number of entries */
64 void printcmap(FILE *out, int n, t_mapping map[]);
65 /* print mapping table to out */
67 void writecmap(const char *fn, int n, t_mapping map[]);
68 /* print mapping table to fn */
70 GMX_LIBGMX_EXPORT
71 int read_xpm_matrix(const char *fnm, t_matrix **matrix);
72 /* Reads a number of matrices from .xpm file fnm and returns this number */
74 GMX_LIBGMX_EXPORT
75 real **matrix2real(t_matrix *matrix, real **mat);
76 /* Converts an matrix in a t_matrix struct to a matrix of reals
77 * When mat==NULL memory will be allocated
78 * Returns NULL when something went wrong
81 GMX_LIBGMX_EXPORT
82 void write_xpm_m(FILE *out, t_matrix m);
83 /* Writes a t_matrix struct to .xpm file */
85 GMX_LIBGMX_EXPORT
86 void write_xpm3(FILE *out, unsigned int flags,
87 const char *title, const char *legend,
88 const char *label_x, const char *label_y,
89 int n_x, int n_y, real axis_x[], real axis_y[],
90 real *matrix[], real lo, real mid, real hi,
91 t_rgb rlo, t_rgb rmid, t_rgb rhi, int *nlevels);
92 /* See write_xpm.
93 * Writes a colormap varying as rlo -> rmid -> rhi.
95 GMX_LIBGMX_EXPORT
96 void write_xpm_split(FILE *out, unsigned int flags,
97 const char *title, const char *legend,
98 const char *label_x, const char *label_y,
99 int n_x, int n_y, real axis_x[], real axis_y[],
100 real *matrix[],
101 real lo_top, real hi_top, int *nlevel_top,
102 t_rgb rlo_top, t_rgb rhi_top,
103 real lo_bot, real hi_bot, int *nlevel_bot,
104 gmx_bool bDiscreteColor,
105 t_rgb rlo_bot, t_rgb rhi_bot);
106 /* See write_xpm.
107 * Writes a colormap with separate above and below diagonal colormaps.
108 * If bDiscrete then a colormap with 16 fixed colors is used, first of
109 * which is white.
112 GMX_LIBGMX_EXPORT
113 void write_xpm(FILE *out, unsigned int flags,
114 const char *title, const char *legend,
115 const char *label_x, const char *label_y,
116 int n_x, int n_y, real t_x[], real t_y[],
117 real *matrix[], real lo, real hi,
118 t_rgb rlo, t_rgb rhi, int *nlevels);
119 /* out xpm file
120 * flags flags, defined types/matrix.h
121 * MAT_SPATIAL_X
122 * MAT_SPATIAL_Y
123 * Defines if x and y are spatial dimensions,
124 * when not, there are n axis ticks at the middle of the elements,
125 * when set, there are n+1 axis ticks at the edges of the elements.
126 * title matrix title
127 * legend label for the continuous legend
128 * label_x label for the x-axis
129 * label_y label for the y-axis
130 * n_x, n_y size of the matrix
131 * axis_x[] the x-ticklabels (n_x or n_x+1)
132 * axis_y[] the y-ticklables (n_y or n_y+1)
133 * *matrix[] element x,y is matrix[x][y]
134 * lo output lower than lo is set to lo
135 * hi output higher than hi is set to hi
136 * rlo rgb value for level lo
137 * rhi rgb value for level hi
138 * nlevels number of color levels for the output
141 GMX_LIBGMX_EXPORT
142 real **mk_matrix(int nx, int ny, gmx_bool b1D);
144 GMX_LIBGMX_EXPORT
145 void done_matrix(int nx, real ***m);
147 void clear_matrix(int nx, int ny, real **m);
149 #ifdef __cplusplus
151 #endif
153 #endif /* _matio_h */