/*
+ * This file is part of the GROMACS molecular simulation package.
*
- * This source code is part of
- *
- * G R O M A C S
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- * GROningen MAchine for Chemical Simulations
- *
- * VERSION 3.2.0
- * Written by David van der Spoel, Erik Lindahl, Berk Hess, and others.
* Copyright (c) 1991-2000, University of Groningen, The Netherlands.
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- * check out http://www.gromacs.org for more information.
-
- * This program is free software; you can redistribute it and/or
- * modify it under the terms of the GNU General Public License
- * as published by the Free Software Foundation; either version 2
+ * Copyright (c) 2001-2004, The GROMACS development team.
+ * Copyright (c) 2013,2014, by the GROMACS development team, led by
+ * Mark Abraham, David van der Spoel, Berk Hess, and Erik Lindahl,
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*/
-#ifdef HAVE_CONFIG_H
-#include <config.h>
-#endif
+#include "gmxpre.h"
#include <stdio.h>
#include <stdlib.h>
#include <math.h>
-#include "string2.h"
-#include "copyrite.h"
-#include "typedefs.h"
-#include "macros.h"
-#include "statutil.h"
-#include "writeps.h"
-#include "futil.h"
-#include "gmx_fatal.h"
-#include "smalloc.h"
-#include "string2.h"
-#include "matio.h"
-#include "viewit.h"
+#include "gromacs/legacyheaders/typedefs.h"
+#include "gromacs/legacyheaders/macros.h"
+#include "gromacs/utility/fatalerror.h"
+#include "gromacs/utility/smalloc.h"
+#include "gromacs/legacyheaders/viewit.h"
#include "gmx_ana.h"
+#include "gromacs/commandline/pargs.h"
+#include "gromacs/utility/futil.h"
+#include "gromacs/fileio/matio.h"
+#include "gromacs/fileio/trxio.h"
+#include "gromacs/fileio/writeps.h"
+
#define FUDGE 1.2
#define DDD 2
if (mpin != NULL)
{
- inp = read_inpfile(mpin, &ninp, NULL, wi);
+ inp = read_inpfile(mpin, &ninp, wi);
}
else
{
for (j = 0; (j < ntx); j++)
{
sprintf(buf, "%g", mat[i].axis_x[j]);
- xtick[j] = strdup(buf);
+ xtick[j] = gmx_strdup(buf);
}
ps_strfont(ps, psr->X.tickfont, psr->X.tickfontsize);
for (x = 0; (x < ntx); x++)
for (j = 0; (j < nty); j++)
{
sprintf(buf, "%g", mat[i].axis_y[j]);
- ytick[j] = strdup(buf);
+ ytick[j] = gmx_strdup(buf);
}
for (y = 0; (y < nty); y++)
xx = xx00+(x+0.7)*psr->xboxsize;
/* draw lines whenever tick label almost zero (e.g. next trajectory) */
if (x != 0 && x < mat[i].nx-1 &&
- abs(mat[i].axis_x[x]) <
- 0.1*abs(mat[i].axis_x[x+1]-mat[i].axis_x[x]) )
+ fabs(mat[i].axis_x[x]) <
+ 0.1*fabs(mat[i].axis_x[x+1]-mat[i].axis_x[x]) )
{
ps_line (out, xx, yy00, xx, yy00+dy+2);
}
yy = yy00+(y+0.7)*psr->yboxsize;
/* draw lines whenever tick label almost zero (e.g. next trajectory) */
if (y != 0 && y < mat[i].ny-1 &&
- abs(mat[i].axis_y[y]) <
- 0.1*abs(mat[i].axis_y[y+1]-mat[i].axis_y[y]) )
+ fabs(mat[i].axis_y[y]) <
+ 0.1*fabs(mat[i].axis_y[y+1]-mat[i].axis_y[y]) )
{
ps_line (out, xx00, yy, xx00+w+2, yy);
}
int nmap;
t_mapping *map = NULL;
- out = ffopen(outf, "w");
+ out = gmx_ffopen(outf, "w");
for (i = 0; i < nmat; i++)
{
sfree(mat[i].map);
mat[i].nmap = nmap;
mat[i].map = map;
- if (mat2 && (strcmp(mat[i].title, mat2[i].title) != 0))
+ if (strcmp(mat[i].title, mat2[i].title) != 0)
{
sprintf(mat[i].title+strlen(mat[i].title), " / %s", mat2[i].title);
}
- if (mat2 && (strcmp(mat[i].legend, mat2[i].legend) != 0))
+ if (strcmp(mat[i].legend, mat2[i].legend) != 0)
{
sprintf(mat[i].legend+strlen(mat[i].legend), " / %s", mat2[i].legend);
}
write_xpm_m(out, mat[i]);
}
}
- ffclose(out);
+ gmx_ffclose(out);
}
static void tick_spacing(int n, real axis[], real offset, char axisnm,
}
for (x = 0; x < mats[i].nx-1; x++)
{
- if (abs(mats[i].axis_x[x+1]) < 1e-5)
+ if (fabs(mats[i].axis_x[x+1]) < 1e-5)
{
for (y = 0; y < mats[i].ny; y++)
{
}
for (y = 0; y < mats[i].ny-1; y++)
{
- if (abs(mats[i].axis_y[y+1]) < 1e-5)
+ if (fabs(mats[i].axis_y[y+1]) < 1e-5)
{
for (x = 0; x < mats[i].nx; x++)
{
real **rmat1, **rmat2;
real rhi, rlo;
- out = ffopen(fn, "w");
+ out = gmx_ffopen(fn, "w");
for (k = 0; k < nmat; k++)
{
if (mat2[k].nx != mat1[k].nx || mat2[k].ny != mat1[k].ny)
rmat1, rlo, rhi, white, black, &nlevels);
}
}
- ffclose(out);
+ gmx_ffclose(out);
}
void do_mat(int nmat, t_matrix *mat, t_matrix *mat2,
int gmx_xpm2ps(int argc, char *argv[])
{
const char *desc[] = {
- "[TT]xpm2ps[tt] makes a beautiful color plot of an XPixelMap file.",
+ "[THISMODULE] makes a beautiful color plot of an XPixelMap file.",
"Labels and axis can be displayed, when they are supplied",
"in the correct matrix format.",
- "Matrix data may be generated by programs such as [TT]do_dssp[tt], [TT]g_rms[tt] or",
- "[TT]g_mdmat[tt].[PAR]",
+ "Matrix data may be generated by programs such as [gmx-do_dssp], [gmx-rms] or",
+ "[gmx-mdmat].[PAR]",
"Parameters are set in the [TT].m2p[tt] file optionally supplied with",
"[TT]-di[tt]. Reasonable defaults are provided. Settings for the [IT]y[it]-axis",
"default to those for the [IT]x[it]-axis. Font names have a defaulting hierarchy:",
};
#define NFILE asize(fnm)
- parse_common_args(&argc, argv, PCA_CAN_VIEW,
- NFILE, fnm, NPA, pa,
- asize(desc), desc, 0, NULL, &oenv);
+ if (!parse_common_args(&argc, argv, PCA_CAN_VIEW,
+ NFILE, fnm, NPA, pa,
+ asize(desc), desc, 0, NULL, &oenv))
+ {
+ return 0;
+ }
etitle = nenum(title);
elegend = nenum(legend);
view_all(oenv, NFILE, fnm);
- thanx(stderr);
-
return 0;
}
biod.pnpi.spb.ru / alexxy / gromacs.git / blobdiff