#include "gromacs/fileio/strdb.h"
#include "gromacs/fileio/trxio.h"
#include "gromacs/fileio/xvgr.h"
#include "gromacs/fileio/strdb.h"
#include "gromacs/fileio/trxio.h"
#include "gromacs/fileio/xvgr.h"
#include "gromacs/gmxana/gstat.h"
#include "gromacs/legacyheaders/macros.h"
#include "gromacs/legacyheaders/typedefs.h"
#include "gromacs/gmxana/gstat.h"
#include "gromacs/legacyheaders/macros.h"
#include "gromacs/legacyheaders/typedefs.h"
- mat->matrix[frame][i] = max(0, searchcmap(mat->nmap, mat->map, c));
+ mat->matrix[frame][i] = std::max(static_cast<t_matelmt>(0), searchcmap(mat->nmap, mat->map, c));
- lo = min(lo, accr[i][j]);
- hi = max(hi, accr[i][j]);
+ lo = std::min(lo, accr[i][j]);
+ hi = std::max(hi, accr[i][j]);
write_xpm(fp, 0, "Solvent Accessible Surface", "Surface (A^2)",
"Time", "Residue Index", nframe, nres,
mat->axis_x, mat->axis_y, accr, lo, hi, rlo, rhi, &nlev);
write_xpm(fp, 0, "Solvent Accessible Surface", "Surface (A^2)",
"Time", "Residue Index", nframe, nres,
mat->axis_x, mat->axis_y, accr, lo, hi, rlo, rhi, &nlev);
{
ss_count += count[s];
total_count += count[s];
}
}
fprintf(fp, "%8g %5d", mat->axis_x[f], ss_count);
{
ss_count += count[s];
total_count += count[s];
}
}
fprintf(fp, "%8g %5d", mat->axis_x[f], ss_count);
}
/* now print column totals */
fprintf(fp, "%-8s %5d", "# Totals", total_count);
}
/* now print column totals */
fprintf(fp, "%-8s %5d", "# Totals", total_count);
{
fprintf(fp, " %5d", total[s]);
}
fprintf(fp, "\n");
/* now print percentages */
{
fprintf(fp, " %5d", total[s]);
}
fprintf(fp, "\n");
/* now print percentages */
- fprintf(fp, "%-8s %5.2f", "# SS %", total_count / (real) (mat->nx * mat->ny));
- for (s = 0; s < (size_t)mat->nmap; s++)
+ fprintf(fp, "%-8s %5.2f", "# SS %", total_count / static_cast<real>(mat->nx * mat->ny));
+ for (s = 0; s < static_cast<size_t>(mat->nmap); s++)
}
norm_acc(atoms, nres, av_area, norm_av_area);
}
norm_acc(atoms, nres, av_area, norm_av_area);