#include "gromacs/gmxana/gmx_ana.h"
#include "gromacs/utility/arraysize.h"
#include "gromacs/utility/cstringutil.h"
+#include "gromacs/utility/exceptions.h"
#include "gromacs/utility/fatalerror.h"
+#include "gromacs/utility/filestream.h"
#include "gromacs/utility/futil.h"
#include "gromacs/utility/gmxassert.h"
#include "gromacs/utility/smalloc.h"
void get_params(const char *mpin, const char *mpout, t_psrec *psr)
{
- static const char *gmx_bools[BOOL_NR+1] = { "no", "yes", NULL };
+ static const char *gmx_bools[BOOL_NR+1] = { "no", "yes", nullptr };
/* this must correspond to t_rgb *linecolors[] below */
- static const char *colors[] = { "none", "black", "white", NULL };
+ static const char *colors[] = { "none", "black", "white", nullptr };
warninp_t wi;
t_inpfile *inp;
const char *tmp;
wi = init_warning(FALSE, 0);
- if (mpin != NULL)
+ if (mpin != nullptr)
{
- inp = read_inpfile(mpin, &ninp, wi);
+ gmx::TextInputFile stream(mpin);
+ inp = read_inpfile(&stream, mpin, &ninp, wi);
}
else
{
- inp = NULL;
+ inp = nullptr;
}
ETYPE("black&white", psr->bw, gmx_bools);
RTYPE("linewidth", psr->linewidth, 1.0);
check_warning_error(wi, FARGS);
- if (mpout != NULL)
+ if (mpout != nullptr)
{
- write_inpfile(mpout, ninp, inp, TRUE, wi);
+ gmx::TextOutputFile stream(mpout);
+ write_inpfile(&stream, mpout, ninp, inp, TRUE, WriteMdpHeader::yes, wi);
+ stream.close();
}
done_warning(wi, FARGS);
t_rgb blue = { 0, 0, 1 };
#define BLACK (&black)
/* this must correspond to *colors[] in get_params */
-t_rgb *linecolors[] = { NULL, &black, &white, NULL };
+t_rgb *linecolors[] = { nullptr, &black, &white, nullptr };
gmx_bool diff_maps(int nmap1, t_mapping *map1, int nmap2, t_mapping *map2)
{
boxxh = fontsize;
}
- GMX_RELEASE_ASSERT(map != NULL, "NULL map array provided to leg_continuous()");
+ GMX_RELEASE_ASSERT(map != nullptr, "NULL map array provided to leg_continuous()");
/* LANDSCAPE */
xx0 = x0-((nmap-mapoffset)*boxxh)/2.0;
FILE *out;
int i, x, y, col;
int nmap;
- t_mapping *map = NULL;
+ t_mapping *map = nullptr;
out = gmx_ffopen(outf, "w");
real x0, y0, xx;
real w, h, dw, dh;
int nmap1 = 0, nmap2 = 0, leg_nmap;
- t_mapping *map1 = NULL, *map2 = NULL, *leg_map;
+ t_mapping *map1 = nullptr, *map2 = nullptr, *leg_map;
gmx_bool bMap1, bNextMap1, bDiscrete;
/* memory leak: */
libm2p = m2p ? gmxlibfn(m2p) : m2p;
- get_params(libm2p, m2pout, &psrec);
+ try
+ {
+ get_params(libm2p, m2pout, &psrec);
+ }
+ GMX_CATCH_ALL_AND_EXIT_WITH_FATAL_ERROR;
psr = &psrec;
{
ps_comment(out, "Now it's legend time!");
ps_linewidth(out, static_cast<int>(psr->linewidth));
- if (mat2 == NULL || elegend != elSecond)
+ if (mat2 == nullptr || elegend != elSecond)
{
bDiscrete = mat[0].bDiscrete;
legend = mat[0].legend;
for (i = 0; (i < nmat); i++)
{
/* Make labels for x axis */
- if (mat[i].axis_x == NULL)
+ if (mat[i].axis_x == nullptr)
{
snew(mat[i].axis_x, mat[i].nx);
for (j = 0; (j < mat[i].nx); j++)
}
}
/* Make labels for y axis */
- if (mat[i].axis_y == NULL)
+ if (mat[i].axis_y == nullptr)
{
snew(mat[i].axis_y, mat[i].ny);
for (j = 0; (j < mat[i].ny); j++)
" not match.\n", k, mat1[k].nx, mat1[k].ny, mat2[k].nx, mat2[k].ny);
}
printf("Combining two %dx%d matrices\n", mat1[k].nx, mat1[k].ny);
- rmat1 = matrix2real(&mat1[k], NULL);
- rmat2 = matrix2real(&mat2[k], NULL);
- if (NULL == rmat1 || NULL == rmat2)
+ rmat1 = matrix2real(&mat1[k], nullptr);
+ rmat2 = matrix2real(&mat2[k], nullptr);
+ if (nullptr == rmat1 || nullptr == rmat2)
{
gmx_fatal(FARGS, "Could not extract real data from %s xpm matrices. Note that, e.g.,\n"
"g_rms and g_mdmat provide such data, but not do_dssp.\n",
- (NULL == rmat1 && NULL == rmat2) ? "both" : "one of the" );
+ (nullptr == rmat1 && nullptr == rmat2) ? "both" : "one of the" );
}
rlo = 1e38;
rhi = -1e38;
zero_lines(nmat, mat, mat);
}
- if (epsfile != NULL)
+ if (epsfile != nullptr)
{
ps_mat(epsfile, nmat, mat, mat2, bFrame, bDiag, bFirstDiag,
bTitle, bTitleOnce, bYonce, elegend,
size, boxx, boxy, m2p, m2pout, mapoffset);
}
- if (xpmfile != NULL)
+ if (xpmfile != nullptr)
{
xpm_mat(xpmfile, nmat, mat, mat2, bDiag, bFirstDiag);
}
};
gmx_output_env_t *oenv;
- const char *fn, *epsfile = NULL, *xpmfile = NULL;
+ const char *fn, *epsfile = nullptr, *xpmfile = nullptr;
int i, nmat, nmat2, etitle, elegend, ediag, erainbow, ecombine;
- t_matrix *mat = NULL, *mat2 = NULL;
+ t_matrix *mat = nullptr, *mat2 = nullptr;
gmx_bool bTitle, bTitleOnce, bDiag, bFirstDiag, bGrad;
static gmx_bool bFrame = TRUE, bZeroLine = FALSE, bYonce = FALSE;
static real size = 400, boxx = 0, boxy = 0, cmin = 0, cmax = 0;
enum {
etSel, etTop, etOnce, etYlabel, etNone, etNR
};
- const char *title[] = { NULL, "top", "once", "ylabel", "none", NULL };
+ const char *title[] = { nullptr, "top", "once", "ylabel", "none", nullptr };
/* MUST correspond to enum elXxx as defined at top of file */
- const char *legend[] = { NULL, "both", "first", "second", "none", NULL };
+ const char *legend[] = { nullptr, "both", "first", "second", "none", nullptr };
enum {
edSel, edFirst, edSecond, edNone, edNR
};
- const char *diag[] = { NULL, "first", "second", "none", NULL };
+ const char *diag[] = { nullptr, "first", "second", "none", nullptr };
enum {
erSel, erNo, erBlue, erRed, erNR
};
- const char *rainbow[] = { NULL, "no", "blue", "red", NULL };
+ const char *rainbow[] = { nullptr, "no", "blue", "red", nullptr };
/* MUST correspond to enum ecXxx as defined at top of file */
const char *combine[] = {
- NULL, "halves", "add", "sub", "mult", "div", NULL
+ nullptr, "halves", "add", "sub", "mult", "div", nullptr
};
static int skip = 1, mapoffset = 0;
t_pargs pa[] = {
};
#define NPA asize(pa)
t_filenm fnm[] = {
- { efXPM, "-f", NULL, ffREAD },
+ { efXPM, "-f", nullptr, ffREAD },
{ efXPM, "-f2", "root2", ffOPTRD },
- { efM2P, "-di", NULL, ffLIBOPTRD },
+ { efM2P, "-di", nullptr, ffLIBOPTRD },
{ efM2P, "-do", "out", ffOPTWR },
- { efEPS, "-o", NULL, ffOPTWR },
- { efXPM, "-xpm", NULL, ffOPTWR }
+ { efEPS, "-o", nullptr, ffOPTWR },
+ { efXPM, "-xpm", nullptr, ffOPTWR }
};
#define NFILE asize(fnm)
if (!parse_common_args(&argc, argv, PCA_CAN_VIEW,
NFILE, fnm, NPA, pa,
- asize(desc), desc, 0, NULL, &oenv))
+ asize(desc), desc, 0, nullptr, &oenv))
{
return 0;
}
epsfile = ftp2fn_null(efEPS, NFILE, fnm);
xpmfile = opt2fn_null("-xpm", NFILE, fnm);
- if (epsfile == NULL && xpmfile == NULL)
+ if (epsfile == nullptr && xpmfile == nullptr)
{
if (ecombine != ecHalves)
{
"WARNING: can only write result of arithmetic combination "
"of two matrices to .xpm file\n"
" file %s will not be written\n", epsfile);
- epsfile = NULL;
+ epsfile = nullptr;
}
bDiag = ediag != edNone;
}
}
- if ((mat2 == NULL) && (elegend != elNone))
+ if ((mat2 == nullptr) && (elegend != elNone))
{
elegend = elFirst;
}
if (ecombine && ecombine != ecHalves)
{
write_combined_matrix(ecombine, xpmfile, nmat, mat, mat2,
- opt2parg_bSet("-cmin", NPA, pa) ? &cmin : NULL,
- opt2parg_bSet("-cmax", NPA, pa) ? &cmax : NULL);
+ opt2parg_bSet("-cmin", NPA, pa) ? &cmin : nullptr,
+ opt2parg_bSet("-cmax", NPA, pa) ? &cmax : nullptr);
}
else
{
biod.pnpi.spb.ru / alexxy / gromacs.git / blobdiff