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replace more uses of XXXINT_FORMAT with fmtlib

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This commit is contained in:
Axel Kohlmeyer
2022-03-30 13:53:25 -04:00
parent 9aad583c7d
commit c4729b39b4
10 changed files with 89 additions and 79 deletions
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48
src/dump_atom.cpp
View File

@ -289,19 +289,21 @@ void DumpAtom::header_item(bigint ndump)
{
if (unit_flag && !unit_count) {
++unit_count;
fprintf(fp,"ITEM: UNITS\n%s\n",update->unit_style);
fmt::print(fp,"ITEM: UNITS\n{}\n",update->unit_style);
}
if (time_flag) fprintf(fp,"ITEM: TIME\n%.16g\n",compute_time());
if (time_flag) fmt::print(fp,"ITEM: TIME\n{:.16}\n",compute_time());
fprintf(fp,"ITEM: TIMESTEP\n");
fprintf(fp,BIGINT_FORMAT "\n",update->ntimestep);
fprintf(fp,"ITEM: NUMBER OF ATOMS\n");
fprintf(fp,BIGINT_FORMAT "\n",ndump);
fprintf(fp,"ITEM: BOX BOUNDS %s\n",boundstr);
fprintf(fp,"%-1.16e %-1.16e\n",boxxlo,boxxhi);
fprintf(fp,"%-1.16e %-1.16e\n",boxylo,boxyhi);
fprintf(fp,"%-1.16e %-1.16e\n",boxzlo,boxzhi);
fprintf(fp,"ITEM: ATOMS %s\n",columns);
fmt::print(fp,"ITEM: TIMESTEP\n{}\n"
"ITEM: NUMBER OF ATOMS\n{}\n",
update->ntimestep, ndump);
fmt::print(fp,"ITEM: BOX BOUNDS {}\n"
"{:>1.16e} {:>1.16e}\n"
"{:>1.16e} {:>1.16e}\n"
"{:>1.16e} {:>1.16e}\n",
boundstr,boxxlo,boxxhi,boxylo,boxyhi,boxzlo,boxzhi);
fmt::print(fp,"ITEM: ATOMS {}\n",columns);
}
/* ---------------------------------------------------------------------- */
@ -310,19 +312,21 @@ void DumpAtom::header_item_triclinic(bigint ndump)
{
if (unit_flag && !unit_count) {
++unit_count;
fprintf(fp,"ITEM: UNITS\n%s\n",update->unit_style);
fmt::print(fp,"ITEM: UNITS\n{}\n",update->unit_style);
}
if (time_flag) fprintf(fp,"ITEM: TIME\n%.16g\n",compute_time());
if (time_flag) fmt::print(fp,"ITEM: TIME\n{:.16}\n",compute_time());
fprintf(fp,"ITEM: TIMESTEP\n");
fprintf(fp,BIGINT_FORMAT "\n",update->ntimestep);
fprintf(fp,"ITEM: NUMBER OF ATOMS\n");
fprintf(fp,BIGINT_FORMAT "\n",ndump);
fprintf(fp,"ITEM: BOX BOUNDS xy xz yz %s\n",boundstr);
fprintf(fp,"%-1.16e %-1.16e %-1.16e\n",boxxlo,boxxhi,boxxy);
fprintf(fp,"%-1.16e %-1.16e %-1.16e\n",boxylo,boxyhi,boxxz);
fprintf(fp,"%-1.16e %-1.16e %-1.16e\n",boxzlo,boxzhi,boxyz);
fprintf(fp,"ITEM: ATOMS %s\n",columns);
fmt::print(fp,"ITEM: TIMESTEP\n{}\n"
"ITEM: NUMBER OF ATOMS\n{}\n",
update->ntimestep, ndump);
fmt::print(fp,"ITEM: BOX BOUNDS xy xz yz {}\n"
"{:>1.16e} {:>1.16e} {:>1.16e}\n"
"{:>1.16e} {:>1.16e} {:>1.16e}\n"
"{:>1.16e} {:>1.16e} {:>1.16e}\n",
boundstr,boxxlo,boxxhi,boxxy,boxylo,boxyhi,boxxz,boxzlo,boxzhi,boxyz);
fmt::print(fp,"ITEM: ATOMS {}\n",columns);
}
/* ---------------------------------------------------------------------- */

2
src/dump_cfg.cpp
View File

@ -123,7 +123,7 @@ void DumpCFG::write_header(bigint n)
if (atom->peri_flag) scale = atom->pdscale;
else if (unwrapflag == 1) scale = UNWRAPEXPAND;
fprintf(fp,"Number of particles = " BIGINT_FORMAT "\n", n);
fmt::print(fp,"Number of particles = {}\n", n);
fprintf(fp,"A = %g Angstrom (basic length-scale)\n",scale);
fprintf(fp,"H0(1,1) = %g A\n",domain->xprd);
fprintf(fp,"H0(1,2) = 0 A \n");

48
src/dump_custom.cpp
View File

@ -507,19 +507,21 @@ void DumpCustom::header_item(bigint ndump)
{
if (unit_flag && !unit_count) {
++unit_count;
fprintf(fp,"ITEM: UNITS\n%s\n",update->unit_style);
fmt::print(fp,"ITEM: UNITS\n{}\n",update->unit_style);
}
if (time_flag) fprintf(fp,"ITEM: TIME\n%.16g\n",compute_time());
if (time_flag) fmt::print(fp,"ITEM: TIME\n{:.16}\n",compute_time());
fprintf(fp,"ITEM: TIMESTEP\n");
fprintf(fp,BIGINT_FORMAT "\n",update->ntimestep);
fprintf(fp,"ITEM: NUMBER OF ATOMS\n");
fprintf(fp,BIGINT_FORMAT "\n",ndump);
fprintf(fp,"ITEM: BOX BOUNDS %s\n",boundstr);
fprintf(fp,"%-1.16e %-1.16e\n",boxxlo,boxxhi);
fprintf(fp,"%-1.16e %-1.16e\n",boxylo,boxyhi);
fprintf(fp,"%-1.16e %-1.16e\n",boxzlo,boxzhi);
fprintf(fp,"ITEM: ATOMS %s\n",columns);
fmt::print(fp,"ITEM: TIMESTEP\n{}\n"
"ITEM: NUMBER OF ATOMS\n{}\n",
update->ntimestep, ndump);
fmt::print(fp,"ITEM: BOX BOUNDS {}\n"
"{:>1.16e} {:>1.16e}\n"
"{:>1.16e} {:>1.16e}\n"
"{:>1.16e} {:>1.16e}\n",
boundstr,boxxlo,boxxhi,boxylo,boxyhi,boxzlo,boxzhi);
fmt::print(fp,"ITEM: ATOMS {}\n",columns);
}
/* ---------------------------------------------------------------------- */
@ -528,19 +530,21 @@ void DumpCustom::header_item_triclinic(bigint ndump)
{
if (unit_flag && !unit_count) {
++unit_count;
fprintf(fp,"ITEM: UNITS\n%s\n",update->unit_style);
fmt::print(fp,"ITEM: UNITS\n{}\n",update->unit_style);
}
if (time_flag) fprintf(fp,"ITEM: TIME\n%.16g\n",compute_time());
if (time_flag) fmt::print(fp,"ITEM: TIME\n{:.16}\n",compute_time());
fprintf(fp,"ITEM: TIMESTEP\n");
fprintf(fp,BIGINT_FORMAT "\n",update->ntimestep);
fprintf(fp,"ITEM: NUMBER OF ATOMS\n");
fprintf(fp,BIGINT_FORMAT "\n",ndump);
fprintf(fp,"ITEM: BOX BOUNDS xy xz yz %s\n",boundstr);
fprintf(fp,"%-1.16e %-1.16e %-1.16e\n",boxxlo,boxxhi,boxxy);
fprintf(fp,"%-1.16e %-1.16e %-1.16e\n",boxylo,boxyhi,boxxz);
fprintf(fp,"%-1.16e %-1.16e %-1.16e\n",boxzlo,boxzhi,boxyz);
fprintf(fp,"ITEM: ATOMS %s\n",columns);
fmt::print(fp,"ITEM: TIMESTEP\n{}\n"
"ITEM: NUMBER OF ATOMS\n{}\n",
update->ntimestep, ndump);
fmt::print(fp,"ITEM: BOX BOUNDS xy xz yz {}\n"
"{:>1.16e} {:>1.16e} {:>1.16e}\n"
"{:>1.16e} {:>1.16e} {:>1.16e}\n"
"{:>1.16e} {:>1.16e} {:>1.16e}\n",
boundstr,boxxlo,boxxhi,boxxy,boxylo,boxyhi,boxxz,boxzlo,boxzhi,boxyz);
fmt::print(fp,"ITEM: ATOMS {}\n",columns);
}
/* ---------------------------------------------------------------------- */

36
src/dump_local.cpp
View File

@ -242,8 +242,7 @@ int DumpLocal::modify_param(int narg, char **arg)
// use of &str[1] removes leading '%' from BIGINT_FORMAT string
char *ptr = strchr(format_int_user,'d');
if (ptr == nullptr)
error->all(FLERR,
"Dump_modify int format does not contain d character");
error->all(FLERR, "Dump_modify int format does not contain d character");
char str[8];
sprintf(str,"%s",BIGINT_FORMAT);
*ptr = '\0';
@ -273,26 +272,29 @@ void DumpLocal::write_header(bigint ndump)
if (me == 0) {
if (unit_flag && !unit_count) {
++unit_count;
fprintf(fp,"ITEM: UNITS\n%s\n",update->unit_style);
fmt::print(fp,"ITEM: UNITS\n{}\n",update->unit_style);
}
if (time_flag) fprintf(fp,"ITEM: TIME\n%.16g\n",compute_time());
if (time_flag) fmt::print(fp,"ITEM: TIME\n{:.16}\n",compute_time());
fmt::print(fp,"ITEM: TIMESTEP\n{}\n"
"ITEM: NUMBER OF {}\n{}\n",
update->ntimestep, label, ndump);
fprintf(fp,"ITEM: TIMESTEP\n");
fprintf(fp,BIGINT_FORMAT "\n",update->ntimestep);
fprintf(fp,"ITEM: NUMBER OF %s\n",label);
fprintf(fp,BIGINT_FORMAT "\n",ndump);
if (domain->triclinic) {
fprintf(fp,"ITEM: BOX BOUNDS xy xz yz %s\n",boundstr);
fprintf(fp,"%-1.16e %-1.16e %-1.16e\n",boxxlo,boxxhi,boxxy);
fprintf(fp,"%-1.16e %-1.16e %-1.16e\n",boxylo,boxyhi,boxxz);
fprintf(fp,"%-1.16e %-1.16e %-1.16e\n",boxzlo,boxzhi,boxyz);
fmt::print(fp,"ITEM: BOX BOUNDS xy xz yz {}\n"
"{:>1.16e} {:>1.16e} {:>1.16e}\n"
"{:>1.16e} {:>1.16e} {:>1.16e}\n"
"{:>1.16e} {:>1.16e} {:>1.16e}\n",
boundstr,boxxlo,boxxhi,boxxy,boxylo,boxyhi,boxxz,boxzlo,boxzhi,boxyz);
} else {
fprintf(fp,"ITEM: BOX BOUNDS %s\n",boundstr);
fprintf(fp,"%-1.16e %-1.16e\n",boxxlo,boxxhi);
fprintf(fp,"%-1.16e %-1.16e\n",boxylo,boxyhi);
fprintf(fp,"%-1.16e %-1.16e\n",boxzlo,boxzhi);
fmt::print(fp,"ITEM: BOX BOUNDS {}\n"
"{:>1.16e} {:>1.16e}\n"
"{:>1.16e} {:>1.16e}\n"
"{:>1.16e} {:>1.16e}\n",
boundstr,boxxlo,boxxhi,boxylo,boxyhi,boxzlo,boxzhi);
}
fprintf(fp,"ITEM: %s %s\n",label,columns);
fmt::print(fp,"ITEM: {} {}\n", label, columns);
}
}

2
src/fix_ave_chunk.cpp
View File

@ -941,7 +941,7 @@ void FixAveChunk::end_of_step()
if (overwrite) platform::fseek(fp,filepos);
double count = 0.0;
for (m = 0; m < nchunk; m++) count += count_total[m];
fprintf(fp,BIGINT_FORMAT " %d %g\n",ntimestep,nchunk,count);
fmt::print(fp,"{} {} {}\n",ntimestep,nchunk,count);
int compress = cchunk->compress;
int *chunkID = cchunk->chunkID;

2
src/fix_ave_correlate.cpp
View File

@ -487,7 +487,7 @@ void FixAveCorrelate::end_of_step()
if (fp && me == 0) {
clearerr(fp);
if (overwrite) platform::fseek(fp,filepos);
fprintf(fp,BIGINT_FORMAT " %d\n",ntimestep,nrepeat);
fmt::print(fp,"{} {}\n",ntimestep,nrepeat);
for (i = 0; i < nrepeat; i++) {
fprintf(fp,"%d %d %d",i+1,i*nevery,count[i]);
if (count[i])

2
src/fix_ave_histo.cpp
View File

@ -815,7 +815,7 @@ void FixAveHisto::end_of_step()
if (fp && me == 0) {
clearerr(fp);
if (overwrite) platform::fseek(fp,filepos);
fprintf(fp,BIGINT_FORMAT " %d %g %g %g %g\n",ntimestep,nbins,
fmt::print(fp,"{} {} {} {} {} {}\n",ntimestep,nbins,
stats_total[0],stats_total[1],stats_total[2],stats_total[3]);
if (stats_total[0] != 0.0)
for (i = 0; i < nbins; i++)

2
src/fix_ave_histo_weight.cpp
View File

@ -468,7 +468,7 @@ void FixAveHistoWeight::end_of_step()
if (fp && me == 0) {
clearerr(fp);
if (overwrite) platform::fseek(fp,filepos);
fprintf(fp,BIGINT_FORMAT " %d %g %g %g %g\n",ntimestep,nbins,
fmt::print(fp,"{} {} {} {} {} {}\n",ntimestep,nbins,
stats_total[0],stats_total[1],stats_total[2],stats_total[3]);
if (stats_total[0] != 0.0)
for (i = 0; i < nbins; i++)

7
src/fix_ave_time.cpp
View File

@ -669,11 +669,10 @@ void FixAveTime::invoke_scalar(bigint ntimestep)
if (fp && me == 0) {
clearerr(fp);
if (overwrite) platform::fseek(fp,filepos);
fprintf(fp,BIGINT_FORMAT,ntimestep);
fmt::print(fp,"{}",ntimestep);
for (i = 0; i < nvalues; i++) fprintf(fp,format,vector_total[i]/norm);
fprintf(fp,"\n");
if (ferror(fp))
error->one(FLERR,"Error writing out time averaged data");
if (ferror(fp)) error->one(FLERR,"Error writing out time averaged data");
fflush(fp);
@ -881,7 +880,7 @@ void FixAveTime::invoke_vector(bigint ntimestep)
if (fp && me == 0) {
if (overwrite) platform::fseek(fp,filepos);
fprintf(fp,BIGINT_FORMAT " %d\n",ntimestep,nrows);
fmt::print(fp,"{} {}\n",ntimestep,nrows);
for (i = 0; i < nrows; i++) {
fprintf(fp,"%d",i+1);
for (j = 0; j < nvalues; j++) fprintf(fp,format,array_total[i][j]/norm);

19
src/fix_property_atom.cpp
View File

@ -445,34 +445,35 @@ void FixPropertyAtom::write_data_section(int /*mth*/, FILE *fp,
int n, double **buf, int /*index*/)
{
int k,icol,ncol,nv;
std::string line;
for (int i = 0; i < n; i++) {
fprintf(fp,TAGINT_FORMAT,(tagint) ubuf(buf[i][0]).i);
line = fmt::format("{}",(tagint) ubuf(buf[i][0]).i);
icol = 1;
for (nv = 0; nv < nvalue; nv++) {
if (styles[nv] == MOLECULE)
fprintf(fp," " TAGINT_FORMAT,(tagint) ubuf(buf[i][icol++]).i);
line += fmt::format(" {}",(tagint) ubuf(buf[i][icol++]).i);
else if (styles[nv] == CHARGE)
fprintf(fp," %g",buf[i][icol++]);
line += fmt::format(" {}",buf[i][icol++]);
else if (styles[nv] == RMASS)
fprintf(fp," %g",buf[i][icol++]);
line += fmt::format(" {}",buf[i][icol++]);
else if (styles[nv] == IVEC)
fprintf(fp," %d",(int) ubuf(buf[i][icol++]).i);
line += fmt::format(" {}",(int) ubuf(buf[i][icol++]).i);
else if (styles[nv] == DVEC)
fprintf(fp," %g",buf[i][icol++]);
line += fmt::format(" {}",buf[i][icol++]);
else if (styles[nv] == IARRAY) {
ncol = cols[nv];
for (k = 0; k < ncol; k++)
fprintf(fp," %d",(int) ubuf(buf[i][icol+k]).i);
line += fmt::format(" {}",(int) ubuf(buf[i][icol+k]).i);
icol += ncol;
} else if (styles[nv] == DARRAY) {
ncol = cols[nv];
for (k = 0; k < ncol; k++)
fprintf(fp," %g",buf[i][icol+k]);
line += fmt::format(" {}",buf[i][icol+k]);
icol += ncol;
}
}
fprintf(fp,"\n");
fmt::print(fp,line+"\n");
}
}