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whitespace cleanup

This commit is contained in:
Axel Kohlmeyer 2019-09-10 09:38:44 -04:00
parent 15d2e1b260
commit 4bbe4c73aa
No known key found for this signature in database
GPG Key ID: D9B44E93BF0C375A
1 changed files with 39 additions and 39 deletions
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78
tools/binary2txt.cpp
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@ -99,9 +99,9 @@ int main(int narg, char **arg)
// detect end-of-file
if (feof(fp)) {
fclose(fp);
fclose(fptxt);
break;
fclose(fp);
fclose(fptxt);
break;
}
fread(&natoms,sizeof(bigint),1,fp);
@ -114,13 +114,13 @@ int main(int narg, char **arg)
fread(&zlo,sizeof(double),1,fp);
fread(&zhi,sizeof(double),1,fp);
if (triclinic) {
fread(&xy,sizeof(double),1,fp);
fread(&xz,sizeof(double),1,fp);
fread(&yz,sizeof(double),1,fp);
fread(&xy,sizeof(double),1,fp);
fread(&xz,sizeof(double),1,fp);
fread(&yz,sizeof(double),1,fp);
}
fread(&size_one,sizeof(int),1,fp);
fread(&nchunk,sizeof(int),1,fp);
fprintf(fptxt,"ITEM: TIMESTEP\n");
fprintf(fptxt,BIGINT_FORMAT "\n",ntimestep);
fprintf(fptxt,"ITEM: NUMBER OF ATOMS\n");
@ -128,26 +128,26 @@ int main(int narg, char **arg)
m = 0;
for (int idim = 0; idim < 3; idim++) {
for (int iside = 0; iside < 2; iside++) {
if (boundary[idim][iside] == 0) boundstr[m++] = 'p';
else if (boundary[idim][iside] == 1) boundstr[m++] = 'f';
else if (boundary[idim][iside] == 2) boundstr[m++] = 's';
else if (boundary[idim][iside] == 3) boundstr[m++] = 'm';
}
boundstr[m++] = ' ';
for (int iside = 0; iside < 2; iside++) {
if (boundary[idim][iside] == 0) boundstr[m++] = 'p';
else if (boundary[idim][iside] == 1) boundstr[m++] = 'f';
else if (boundary[idim][iside] == 2) boundstr[m++] = 's';
else if (boundary[idim][iside] == 3) boundstr[m++] = 'm';
}
boundstr[m++] = ' ';
}
boundstr[8] = '\0';
if (!triclinic) {
fprintf(fptxt,"ITEM: BOX BOUNDS %s\n",boundstr);
fprintf(fptxt,"%g %g\n",xlo,xhi);
fprintf(fptxt,"%g %g\n",ylo,yhi);
fprintf(fptxt,"%g %g\n",zlo,zhi);
fprintf(fptxt,"ITEM: BOX BOUNDS %s\n",boundstr);
fprintf(fptxt,"%g %g\n",xlo,xhi);
fprintf(fptxt,"%g %g\n",ylo,yhi);
fprintf(fptxt,"%g %g\n",zlo,zhi);
} else {
fprintf(fptxt,"ITEM: BOX BOUNDS %s xy xz yz\n",boundstr);
fprintf(fptxt,"%g %g %g\n",xlo,xhi,xy);
fprintf(fptxt,"%g %g %g\n",ylo,yhi,xz);
fprintf(fptxt,"%g %g %g\n",zlo,zhi,yz);
fprintf(fptxt,"ITEM: BOX BOUNDS %s xy xz yz\n",boundstr);
fprintf(fptxt,"%g %g %g\n",xlo,xhi,xy);
fprintf(fptxt,"%g %g %g\n",ylo,yhi,xz);
fprintf(fptxt,"%g %g %g\n",zlo,zhi,yz);
}
fprintf(fptxt,"ITEM: ATOMS\n");
@ -156,25 +156,25 @@ int main(int narg, char **arg)
// loop over processor chunks in file
for (i = 0; i < nchunk; i++) {
fread(&n,sizeof(int),1,fp);
fread(&n,sizeof(int),1,fp);
// extend buffer to fit chunk size
if (n > maxbuf) {
if (buf) delete [] buf;
buf = new double[n];
maxbuf = n;
}
// extend buffer to fit chunk size
// read chunk and write as size_one values per line
if (n > maxbuf) {
if (buf) delete [] buf;
buf = new double[n];
maxbuf = n;
}
fread(buf,sizeof(double),n,fp);
n /= size_one;
m = 0;
for (j = 0; j < n; j++) {
for (k = 0; k < size_one; k++) fprintf(fptxt,"%g ",buf[m++]);
fprintf(fptxt,"\n");
}
// read chunk and write as size_one values per line
fread(buf,sizeof(double),n,fp);
n /= size_one;
m = 0;
for (j = 0; j < n; j++) {
for (k = 0; k < size_one; k++) fprintf(fptxt,"%g ",buf[m++]);
fprintf(fptxt,"\n");
}
}
printf(" " BIGINT_FORMAT,ntimestep);