X-Git-Url: http://biod.pnpi.spb.ru/gitweb/?a=blobdiff_plain;f=src%2Fgromacs%2Fgmxlib%2Ftxtdump.cpp;fp=src%2Fgromacs%2Fgmxlib%2Ftxtdump.cpp;h=2748a97093af6f6e8dbaf68bcffc5d69735d2a7b;hb=87823c5ebe2ecab05a07cfdfd5165e53cb07c30d;hp=c39508d05dbd7df312e7abd584a83181ea727bb6;hpb=4fb23a1438393a48312088b77f662c30ac7fbf68;p=alexxy%2Fgromacs.git diff --git a/src/gromacs/gmxlib/txtdump.cpp b/src/gromacs/gmxlib/txtdump.cpp index c39508d05d..2748a97093 100644 --- a/src/gromacs/gmxlib/txtdump.cpp +++ b/src/gromacs/gmxlib/txtdump.cpp @@ -40,8 +40,8 @@ #include "gromacs/legacyheaders/txtdump.h" -#include -#include +#include +#include #include @@ -60,7 +60,7 @@ int pr_indent(FILE *fp, int n) for (i = 0; i < n; i++) { - (void) fprintf(fp, " "); + fprintf(fp, " "); } return n; } @@ -73,29 +73,29 @@ int available(FILE *fp, void *p, int indent, const char *title) { pr_indent(fp, indent); } - (void) fprintf(fp, "%s: not available\n", title); + fprintf(fp, "%s: not available\n", title); } return (p != NULL); } int pr_title(FILE *fp, int indent, const char *title) { - (void) pr_indent(fp, indent); - (void) fprintf(fp, "%s:\n", title); + pr_indent(fp, indent); + fprintf(fp, "%s:\n", title); return (indent+INDENT); } int pr_title_n(FILE *fp, int indent, const char *title, int n) { - (void) pr_indent(fp, indent); - (void) fprintf(fp, "%s (%d):\n", title, n); + pr_indent(fp, indent); + fprintf(fp, "%s (%d):\n", title, n); return (indent+INDENT); } int pr_title_nxn(FILE *fp, int indent, const char *title, int n1, int n2) { - (void) pr_indent(fp, indent); - (void) fprintf(fp, "%s (%dx%d):\n", title, n1, n2); + pr_indent(fp, indent); + fprintf(fp, "%s (%dx%d):\n", title, n1, n2); return (indent+INDENT); } @@ -108,8 +108,8 @@ void pr_ivec(FILE *fp, int indent, const char *title, int vec[], int n, gmx_bool indent = pr_title_n(fp, indent, title, n); for (i = 0; i < n; i++) { - (void) pr_indent(fp, indent); - (void) fprintf(fp, "%s[%d]=%d\n", title, bShowNumbers ? i : -1, vec[i]); + pr_indent(fp, indent); + fprintf(fp, "%s[%d]=%d\n", title, bShowNumbers ? i : -1, vec[i]); } } } @@ -134,20 +134,20 @@ void pr_ivec_block(FILE *fp, int indent, const char *title, int vec[], int n, gm { while (i < j) { - (void) pr_indent(fp, indent); - (void) fprintf(fp, "%s[%d]=%d\n", - title, bShowNumbers ? i : -1, vec[i]); + pr_indent(fp, indent); + fprintf(fp, "%s[%d]=%d\n", + title, bShowNumbers ? i : -1, vec[i]); i++; } } else { - (void) pr_indent(fp, indent); - (void) fprintf(fp, "%s[%d,...,%d] = {%d,...,%d}\n", - title, - bShowNumbers ? i : -1, - bShowNumbers ? j-1 : -1, - vec[i], vec[j-1]); + pr_indent(fp, indent); + fprintf(fp, "%s[%d,...,%d] = {%d,...,%d}\n", + title, + bShowNumbers ? i : -1, + bShowNumbers ? j-1 : -1, + vec[i], vec[j-1]); i = j; } } @@ -163,9 +163,9 @@ void pr_bvec(FILE *fp, int indent, const char *title, gmx_bool vec[], int n, gmx indent = pr_title_n(fp, indent, title, n); for (i = 0; i < n; i++) { - (void) pr_indent(fp, indent); - (void) fprintf(fp, "%s[%d]=%s\n", title, bShowNumbers ? i : -1, - EBOOL(vec[i])); + pr_indent(fp, indent); + fprintf(fp, "%s[%d]=%s\n", title, bShowNumbers ? i : -1, + EBOOL(vec[i])); } } } @@ -179,17 +179,17 @@ void pr_ivecs(FILE *fp, int indent, const char *title, ivec vec[], int n, gmx_bo indent = pr_title_nxn(fp, indent, title, n, DIM); for (i = 0; i < n; i++) { - (void) pr_indent(fp, indent); - (void) fprintf(fp, "%s[%d]={", title, bShowNumbers ? i : -1); + pr_indent(fp, indent); + fprintf(fp, "%s[%d]={", title, bShowNumbers ? i : -1); for (j = 0; j < DIM; j++) { if (j != 0) { - (void) fprintf(fp, ", "); + fprintf(fp, ", "); } fprintf(fp, "%d", vec[i][j]); } - (void) fprintf(fp, "}\n"); + fprintf(fp, "}\n"); } } } @@ -250,17 +250,17 @@ void pr_rvecs_len(FILE *fp, int indent, const char *title, rvec vec[], int n) indent = pr_title_nxn(fp, indent, title, n, DIM); for (i = 0; i < n; i++) { - (void) pr_indent(fp, indent); - (void) fprintf(fp, "%s[%5d]={", title, i); + pr_indent(fp, indent); + fprintf(fp, "%s[%5d]={", title, i); for (j = 0; j < DIM; j++) { if (j != 0) { - (void) fprintf(fp, ", "); + fprintf(fp, ", "); } - (void) fprintf(fp, "%12.5e", vec[i][j]); + fprintf(fp, "%12.5e", vec[i][j]); } - (void) fprintf(fp, "} len=%12.5e\n", norm(vec[i])); + fprintf(fp, "} len=%12.5e\n", norm(vec[i])); } } } @@ -286,17 +286,17 @@ void pr_rvecs(FILE *fp, int indent, const char *title, rvec vec[], int n) indent = pr_title_nxn(fp, indent, title, n, DIM); for (i = 0; i < n; i++) { - (void) pr_indent(fp, indent); - (void) fprintf(fp, "%s[%5d]={", title, i); + pr_indent(fp, indent); + fprintf(fp, "%s[%5d]={", title, i); for (j = 0; j < DIM; j++) { if (j != 0) { - (void) fprintf(fp, ", "); + fprintf(fp, ", "); } - (void) fprintf(fp, format, vec[i][j]); + fprintf(fp, format, vec[i][j]); } - (void) fprintf(fp, "}\n"); + fprintf(fp, "}\n"); } } } @@ -323,17 +323,17 @@ void pr_rvecs_of_dim(FILE *fp, int indent, const char *title, rvec vec[], int n, indent = pr_title_nxn(fp, indent, title, n, dim); for (i = 0; i < n; i++) { - (void) pr_indent(fp, indent); - (void) fprintf(fp, "%s[%5d]={", title, i); + pr_indent(fp, indent); + fprintf(fp, "%s[%5d]={", title, i); for (j = 0; j < dim; j++) { if (j != 0) { - (void) fprintf(fp, ", "); + fprintf(fp, ", "); } - (void) fprintf(fp, format, vec[i][j]); + fprintf(fp, format, vec[i][j]); } - (void) fprintf(fp, "}\n"); + fprintf(fp, "}\n"); } } } @@ -344,13 +344,13 @@ void pr_reals(FILE *fp, int indent, const char *title, real *vec, int n) if (available(fp, vec, indent, title)) { - (void) pr_indent(fp, indent); - (void) fprintf(fp, "%s:\t", title); + pr_indent(fp, indent); + fprintf(fp, "%s:\t", title); for (i = 0; i < n; i++) { fprintf(fp, " %10g", vec[i]); } - (void) fprintf(fp, "\n"); + fprintf(fp, "\n"); } } @@ -360,13 +360,13 @@ void pr_doubles(FILE *fp, int indent, const char *title, double *vec, int n) if (available(fp, vec, indent, title)) { - (void) pr_indent(fp, indent); - (void) fprintf(fp, "%s:\t", title); + pr_indent(fp, indent); + fprintf(fp, "%s:\t", title); for (i = 0; i < n; i++) { fprintf(fp, " %10g", vec[i]); } - (void) fprintf(fp, "\n"); + fprintf(fp, "\n"); } } @@ -391,17 +391,17 @@ void pr_reals_of_dim(FILE *fp, int indent, const char *title, real *vec, int n, indent = pr_title_nxn(fp, indent, title, n, dim); for (i = 0; i < n; i++) { - (void) pr_indent(fp, indent); - (void) fprintf(fp, "%s[%5d]={", title, i); + pr_indent(fp, indent); + fprintf(fp, "%s[%5d]={", title, i); for (j = 0; j < dim; j++) { if (j != 0) { - (void) fprintf(fp, ", "); + fprintf(fp, ", "); } - (void) fprintf(fp, format, vec[i * dim + j]); + fprintf(fp, format, vec[i * dim + j]); } - (void) fprintf(fp, "}\n"); + fprintf(fp, "}\n"); } } } @@ -591,18 +591,18 @@ static void pr_cosine(FILE *fp, int indent, const char *title, t_cosines *cos, else { indent = pr_title(fp, indent, title); - (void) pr_indent(fp, indent); + pr_indent(fp, indent); fprintf(fp, "n = %d\n", cos->n); if (cos->n > 0) { - (void) pr_indent(fp, indent+2); + pr_indent(fp, indent+2); fprintf(fp, "a ="); for (j = 0; (j < cos->n); j++) { fprintf(fp, " %e", cos->a[j]); } fprintf(fp, "\n"); - (void) pr_indent(fp, indent+2); + pr_indent(fp, indent+2); fprintf(fp, "phi ="); for (j = 0; (j < cos->n); j++) { @@ -1401,28 +1401,28 @@ void pr_ilist(FILE *fp, int indent, const char *title, if (available(fp, ilist, indent, title) && ilist->nr > 0) { indent = pr_title(fp, indent, title); - (void) pr_indent(fp, indent); + pr_indent(fp, indent); fprintf(fp, "nr: %d\n", ilist->nr); if (ilist->nr > 0) { - (void) pr_indent(fp, indent); + pr_indent(fp, indent); fprintf(fp, "iatoms:\n"); iatoms = ilist->iatoms; for (i = j = 0; i < ilist->nr; ) { #ifndef DEBUG - (void) pr_indent(fp, indent+INDENT); + pr_indent(fp, indent+INDENT); type = *(iatoms++); ftype = functype[type]; - (void) fprintf(fp, "%d type=%d (%s)", - bShowNumbers ? j : -1, bShowNumbers ? type : -1, - interaction_function[ftype].name); + fprintf(fp, "%d type=%d (%s)", + bShowNumbers ? j : -1, bShowNumbers ? type : -1, + interaction_function[ftype].name); j++; for (k = 0; k < interaction_function[ftype].nratoms; k++) { - (void) fprintf(fp, " %d", *(iatoms++)); + fprintf(fp, " %d", *(iatoms++)); } - (void) fprintf(fp, "\n"); + fprintf(fp, "\n"); i += 1+interaction_function[ftype].nratoms; #else fprintf(fp, "%5d%5d\n", i, iatoms[i]); @@ -1479,20 +1479,20 @@ void pr_ffparams(FILE *fp, int indent, const char *title, int i; indent = pr_title(fp, indent, title); - (void) pr_indent(fp, indent); - (void) fprintf(fp, "atnr=%d\n", ffparams->atnr); - (void) pr_indent(fp, indent); - (void) fprintf(fp, "ntypes=%d\n", ffparams->ntypes); + pr_indent(fp, indent); + fprintf(fp, "atnr=%d\n", ffparams->atnr); + pr_indent(fp, indent); + fprintf(fp, "ntypes=%d\n", ffparams->ntypes); for (i = 0; i < ffparams->ntypes; i++) { - (void) pr_indent(fp, indent+INDENT); - (void) fprintf(fp, "functype[%d]=%s, ", - bShowNumbers ? i : -1, - interaction_function[ffparams->functype[i]].name); + pr_indent(fp, indent+INDENT); + fprintf(fp, "functype[%d]=%s, ", + bShowNumbers ? i : -1, + interaction_function[ffparams->functype[i]].name); pr_iparams(fp, ffparams->functype[i], &ffparams->iparams[i]); } - (void) pr_double(fp, indent, "reppow", ffparams->reppow); - (void) pr_real(fp, indent, "fudgeQQ", ffparams->fudgeQQ); + pr_double(fp, indent, "reppow", ffparams->reppow); + pr_real(fp, indent, "fudgeQQ", ffparams->fudgeQQ); pr_cmap(fp, indent, "cmap", &ffparams->cmap_grid, bShowNumbers); } @@ -1503,19 +1503,19 @@ void pr_idef(FILE *fp, int indent, const char *title, t_idef *idef, gmx_bool bSh if (available(fp, idef, indent, title)) { indent = pr_title(fp, indent, title); - (void) pr_indent(fp, indent); - (void) fprintf(fp, "atnr=%d\n", idef->atnr); - (void) pr_indent(fp, indent); - (void) fprintf(fp, "ntypes=%d\n", idef->ntypes); + pr_indent(fp, indent); + fprintf(fp, "atnr=%d\n", idef->atnr); + pr_indent(fp, indent); + fprintf(fp, "ntypes=%d\n", idef->ntypes); for (i = 0; i < idef->ntypes; i++) { - (void) pr_indent(fp, indent+INDENT); - (void) fprintf(fp, "functype[%d]=%s, ", - bShowNumbers ? i : -1, - interaction_function[idef->functype[i]].name); + pr_indent(fp, indent+INDENT); + fprintf(fp, "functype[%d]=%s, ", + bShowNumbers ? i : -1, + interaction_function[idef->functype[i]].name); pr_iparams(fp, idef->functype[i], &idef->iparams[i]); } - (void) pr_real(fp, indent, "fudgeQQ", idef->fudgeQQ); + pr_real(fp, indent, "fudgeQQ", idef->fudgeQQ); for (j = 0; (j < F_NRE); j++) { @@ -1530,8 +1530,8 @@ static int pr_block_title(FILE *fp, int indent, const char *title, t_block *bloc if (available(fp, block, indent, title)) { indent = pr_title(fp, indent, title); - (void) pr_indent(fp, indent); - (void) fprintf(fp, "nr=%d\n", block->nr); + pr_indent(fp, indent); + fprintf(fp, "nr=%d\n", block->nr); } return indent; } @@ -1541,10 +1541,10 @@ static int pr_blocka_title(FILE *fp, int indent, const char *title, t_blocka *bl if (available(fp, block, indent, title)) { indent = pr_title(fp, indent, title); - (void) pr_indent(fp, indent); - (void) fprintf(fp, "nr=%d\n", block->nr); - (void) pr_indent(fp, indent); - (void) fprintf(fp, "nra=%d\n", block->nra); + pr_indent(fp, indent); + fprintf(fp, "nr=%d\n", block->nr); + pr_indent(fp, indent); + fprintf(fp, "nra=%d\n", block->nra); } return indent; } @@ -1558,15 +1558,15 @@ static void low_pr_blocka(FILE *fp, int indent, const char *title, t_blocka *blo indent = pr_blocka_title(fp, indent, title, block); for (i = 0; i <= block->nr; i++) { - (void) pr_indent(fp, indent+INDENT); - (void) fprintf(fp, "%s->index[%d]=%d\n", - title, bShowNumbers ? i : -1, block->index[i]); + pr_indent(fp, indent+INDENT); + fprintf(fp, "%s->index[%d]=%d\n", + title, bShowNumbers ? i : -1, block->index[i]); } for (i = 0; i < block->nra; i++) { - (void) pr_indent(fp, indent+INDENT); - (void) fprintf(fp, "%s->a[%d]=%d\n", - title, bShowNumbers ? i : -1, block->a[i]); + pr_indent(fp, indent+INDENT); + fprintf(fp, "%s->a[%d]=%d\n", + title, bShowNumbers ? i : -1, block->a[i]); } } } @@ -1581,7 +1581,7 @@ void pr_block(FILE *fp, int indent, const char *title, t_block *block, gmx_bool start = 0; if (block->index[start] != 0) { - (void) fprintf(fp, "block->index[%d] should be 0\n", start); + fprintf(fp, "block->index[%d] should be 0\n", start); } else { @@ -1616,7 +1616,7 @@ void pr_blocka(FILE *fp, int indent, const char *title, t_blocka *block, gmx_boo end = start; if ((ok = (block->index[start] == 0)) == 0) { - (void) fprintf(fp, "block->index[%d] should be 0\n", start); + fprintf(fp, "block->index[%d] should be 0\n", start); } else { @@ -1642,19 +1642,19 @@ void pr_blocka(FILE *fp, int indent, const char *title, t_blocka *block, gmx_boo } if ((size) > (USE_WIDTH)) { - (void) fprintf(fp, "\n"); + fprintf(fp, "\n"); size = pr_indent(fp, indent+INDENT); } size += fprintf(fp, "%d", block->a[j]); } - (void) fprintf(fp, "}\n"); + fprintf(fp, "}\n"); start = end; } } if ((end != block->nra) || (!ok)) { - (void) pr_indent(fp, indent); - (void) fprintf(fp, "tables inconsistent, dumping complete tables:\n"); + pr_indent(fp, indent); + fprintf(fp, "tables inconsistent, dumping complete tables:\n"); low_pr_blocka(fp, indent, title, block, bShowNumbers); } } @@ -1669,9 +1669,9 @@ static void pr_strings(FILE *fp, int indent, const char *title, char ***nm, int indent = pr_title_n(fp, indent, title, n); for (i = 0; i < n; i++) { - (void) pr_indent(fp, indent); - (void) fprintf(fp, "%s[%d]={name=\"%s\"}\n", - title, bShowNumbers ? i : -1, *(nm[i])); + pr_indent(fp, indent); + fprintf(fp, "%s[%d]={name=\"%s\"}\n", + title, bShowNumbers ? i : -1, *(nm[i])); } } } @@ -1686,9 +1686,9 @@ static void pr_strings2(FILE *fp, int indent, const char *title, indent = pr_title_n(fp, indent, title, n); for (i = 0; i < n; i++) { - (void) pr_indent(fp, indent); - (void) fprintf(fp, "%s[%d]={name=\"%s\",nameB=\"%s\"}\n", - title, bShowNumbers ? i : -1, *(nm[i]), *(nmB[i])); + pr_indent(fp, indent); + fprintf(fp, "%s[%d]={name=\"%s\",nameB=\"%s\"}\n", + title, bShowNumbers ? i : -1, *(nm[i]), *(nmB[i])); } } } @@ -1702,11 +1702,11 @@ static void pr_resinfo(FILE *fp, int indent, const char *title, t_resinfo *resin indent = pr_title_n(fp, indent, title, n); for (i = 0; i < n; i++) { - (void) pr_indent(fp, indent); - (void) fprintf(fp, "%s[%d]={name=\"%s\", nr=%d, ic='%c'}\n", - title, bShowNumbers ? i : -1, - *(resinfo[i].name), resinfo[i].nr, - (resinfo[i].ic == '\0') ? ' ' : resinfo[i].ic); + pr_indent(fp, indent); + fprintf(fp, "%s[%d]={name=\"%s\", nr=%d, ic='%c'}\n", + title, bShowNumbers ? i : -1, + *(resinfo[i].name), resinfo[i].nr, + (resinfo[i].ic == '\0') ? ' ' : resinfo[i].ic); } } } @@ -1720,7 +1720,7 @@ static void pr_atom(FILE *fp, int indent, const char *title, t_atom *atom, int n indent = pr_title_n(fp, indent, title, n); for (i = 0; i < n; i++) { - (void) pr_indent(fp, indent); + pr_indent(fp, indent); fprintf(fp, "%s[%6d]={type=%3d, typeB=%3d, ptype=%8s, m=%12.5e, " "q=%12.5e, mB=%12.5e, qB=%12.5e, resind=%5d, atomnumber=%3d}\n", title, i, atom[i].type, atom[i].typeB, ptype_str[atom[i].ptype], @@ -1754,7 +1754,7 @@ static void pr_groups(FILE *fp, int indent, pr_grps(fp, "grp", groups->grps, groups->grpname); pr_strings(fp, indent, "grpname", groups->grpname, groups->ngrpname, bShowNumbers); - (void) pr_indent(fp, indent); + pr_indent(fp, indent); fprintf(fp, "groups "); for (g = 0; g < egcNR; g++) { @@ -1762,7 +1762,7 @@ static void pr_groups(FILE *fp, int indent, } printf("\n"); - (void) pr_indent(fp, indent); + pr_indent(fp, indent); fprintf(fp, "allocated "); nat_max = 0; for (g = 0; g < egcNR; g++) @@ -1774,7 +1774,7 @@ static void pr_groups(FILE *fp, int indent, if (nat_max == 0) { - (void) pr_indent(fp, indent); + pr_indent(fp, indent); fprintf(fp, "groupnr[%5s] =", "*"); for (g = 0; g < egcNR; g++) { @@ -1786,7 +1786,7 @@ static void pr_groups(FILE *fp, int indent, { for (i = 0; i < nat_max; i++) { - (void) pr_indent(fp, indent); + pr_indent(fp, indent); fprintf(fp, "groupnr[%5d] =", i); for (g = 0; g < egcNR; g++) { @@ -1839,8 +1839,8 @@ static void pr_moltype(FILE *fp, int indent, const char *title, int j; indent = pr_title_n(fp, indent, title, n); - (void) pr_indent(fp, indent); - (void) fprintf(fp, "name=\"%s\"\n", *(molt->name)); + pr_indent(fp, indent); + fprintf(fp, "name=\"%s\"\n", *(molt->name)); pr_atoms(fp, indent, "atoms", &(molt->atoms), bShowNumbers); pr_block(fp, indent, "cgs", &molt->cgs, bShowNumbers); pr_blocka(fp, indent, "excls", &molt->excls, bShowNumbers); @@ -1856,9 +1856,9 @@ static void pr_molblock(FILE *fp, int indent, const char *title, gmx_moltype_t *molt) { indent = pr_title_n(fp, indent, title, n); - (void) pr_indent(fp, indent); - (void) fprintf(fp, "%-20s = %d \"%s\"\n", - "moltype", molb->type, *(molt[molb->type].name)); + pr_indent(fp, indent); + fprintf(fp, "%-20s = %d \"%s\"\n", + "moltype", molb->type, *(molt[molb->type].name)); pr_int(fp, indent, "#molecules", molb->nmol); pr_int(fp, indent, "#atoms_mol", molb->natoms_mol); pr_int(fp, indent, "#posres_xA", molb->nposres_xA); @@ -1881,8 +1881,8 @@ void pr_mtop(FILE *fp, int indent, const char *title, gmx_mtop_t *mtop, if (available(fp, mtop, indent, title)) { indent = pr_title(fp, indent, title); - (void) pr_indent(fp, indent); - (void) fprintf(fp, "name=\"%s\"\n", *(mtop->name)); + pr_indent(fp, indent); + fprintf(fp, "name=\"%s\"\n", *(mtop->name)); pr_int(fp, indent, "#atoms", mtop->natoms); pr_int(fp, indent, "#molblock", mtop->nmolblock); for (mb = 0; mb < mtop->nmolblock; mb++) @@ -1915,8 +1915,8 @@ void pr_top(FILE *fp, int indent, const char *title, t_topology *top, gmx_bool b if (available(fp, top, indent, title)) { indent = pr_title(fp, indent, title); - (void) pr_indent(fp, indent); - (void) fprintf(fp, "name=\"%s\"\n", *(top->name)); + pr_indent(fp, indent); + fprintf(fp, "name=\"%s\"\n", *(top->name)); pr_atoms(fp, indent, "atoms", &(top->atoms), bShowNumbers); pr_atomtypes(fp, indent, "atomtypes", &(top->atomtypes), bShowNumbers); pr_block(fp, indent, "cgs", &top->cgs, bShowNumbers);