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change read_data to use new utility function

This commit is contained in:
Axel Kohlmeyer 2021-04-27 16:12:11 -04:00
parent e2318e1710
commit 15cff295c0
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GPG Key ID: D9B44E93BF0C375A
1 changed files with 21 additions and 20 deletions
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41
src/read_data.cpp
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@ -41,24 +41,25 @@
using namespace LAMMPS_NS; using namespace LAMMPS_NS;
#define MAXLINE 256 static constexpr int MAXLINE = 256;
#define LB_FACTOR 1.1 static constexpr double LB_FACTOR = 1.1;
#define CHUNK 1024 static constexpr int CHUNK = 1024;
#define DELTA 4 // must be 2 or larger static constexpr int DELTA = 4; // must be 2 or larger
#define MAXBODY 32 // max # of lines in one body static constexpr int MAXBODY = 32; // max # of lines in one body
// customize for new sections // customize for new sections
#define NSECTIONS 25 // change when add to header::section_keywords // change when add to header::section_keywords
static constexpr int NSECTIONS = 25;
enum{NONE,APPEND,VALUE,MERGE}; enum{NONE,APPEND,VALUE,MERGE};
// pair style suffixes to ignore // pair style suffixes to ignore
// when matching Pair Coeffs comment to currently-defined pair style // when matching Pair Coeffs comment to currently-defined pair style
const char *suffixes[] = {"/cuda","/gpu","/opt","/omp","/kk", static const char *suffixes[] = {"/cuda","/gpu","/opt","/omp","/kk",
"/coul/cut","/coul/long","/coul/msm", "/coul/cut","/coul/long","/coul/msm",
"/coul/dsf","/coul/debye","/coul/charmm", "/coul/dsf","/coul/debye","/coul/charmm",
nullptr}; nullptr};
/* ---------------------------------------------------------------------- */ /* ---------------------------------------------------------------------- */
@ -957,7 +958,7 @@ void ReadData::header(int firstpass)
// skip 1st line of file // skip 1st line of file
if (me == 0) { if (me == 0) {
char *eof = fgets(line,MAXLINE,fp); char *eof = utils::fgets_trunc_nl(line,MAXLINE,fp);
if (eof == nullptr) error->one(FLERR,"Unexpected end of data file"); if (eof == nullptr) error->one(FLERR,"Unexpected end of data file");
} }
@ -966,7 +967,7 @@ void ReadData::header(int firstpass)
// read a line and bcast length // read a line and bcast length
if (me == 0) { if (me == 0) {
if (fgets(line,MAXLINE,fp) == nullptr) n = 0; if (utils::fgets_trunc_nl(line,MAXLINE,fp) == nullptr) n = 0;
else n = strlen(line) + 1; else n = strlen(line) + 1;
} }
MPI_Bcast(&n,1,MPI_INT,0,world); MPI_Bcast(&n,1,MPI_INT,0,world);
@ -1669,7 +1670,7 @@ void ReadData::bodies(int firstpass, AtomVec *ptr)
m = 0; m = 0;
while (nchunk < nmax && nline <= CHUNK-MAXBODY) { while (nchunk < nmax && nline <= CHUNK-MAXBODY) {
eof = fgets(&buffer[m],MAXLINE,fp); eof = utils::fgets_trunc_nl(&buffer[m],MAXLINE,fp);
if (eof == nullptr) error->one(FLERR,"Unexpected end of data file"); if (eof == nullptr) error->one(FLERR,"Unexpected end of data file");
rv = sscanf(&buffer[m],"%d %d %d",&tmp,&ninteger,&ndouble); rv = sscanf(&buffer[m],"%d %d %d",&tmp,&ninteger,&ndouble);
if (rv != 3) if (rv != 3)
@ -1683,7 +1684,7 @@ void ReadData::bodies(int firstpass, AtomVec *ptr)
nword = 0; nword = 0;
while (nword < ninteger) { while (nword < ninteger) {
eof = fgets(&buffer[m],MAXLINE,fp); eof = utils::fgets_trunc_nl(&buffer[m],MAXLINE,fp);
if (eof == nullptr) error->one(FLERR,"Unexpected end of data file"); if (eof == nullptr) error->one(FLERR,"Unexpected end of data file");
ncount = utils::trim_and_count_words(&buffer[m]); ncount = utils::trim_and_count_words(&buffer[m]);
if (ncount == 0) if (ncount == 0)
@ -1697,7 +1698,7 @@ void ReadData::bodies(int firstpass, AtomVec *ptr)
nword = 0; nword = 0;
while (nword < ndouble) { while (nword < ndouble) {
eof = fgets(&buffer[m],MAXLINE,fp); eof = utils::fgets_trunc_nl(&buffer[m],MAXLINE,fp);
if (eof == nullptr) error->one(FLERR,"Unexpected end of data file"); if (eof == nullptr) error->one(FLERR,"Unexpected end of data file");
ncount = utils::trim_and_count_words(&buffer[m]); ncount = utils::trim_and_count_words(&buffer[m]);
if (ncount == 0) if (ncount == 0)
@ -2001,15 +2002,15 @@ void ReadData::parse_keyword(int first)
if (me == 0) { if (me == 0) {
if (!first) { if (!first) {
if (fgets(line,MAXLINE,fp) == nullptr) eof = 1; if (utils::fgets_trunc_nl(line,MAXLINE,fp) == nullptr) eof = 1;
} }
while (eof == 0 && done == 0) { while (eof == 0 && done == 0) {
int blank = strspn(line," \t\n\r"); int blank = strspn(line," \t\n\r");
if ((blank == (int)strlen(line)) || (line[blank] == '#')) { if ((blank == (int)strlen(line)) || (line[blank] == '#')) {
if (fgets(line,MAXLINE,fp) == nullptr) eof = 1; if (utils::fgets_trunc_nl(line,MAXLINE,fp) == nullptr) eof = 1;
} else done = 1; } else done = 1;
} }
if (fgets(buffer,MAXLINE,fp) == nullptr) { if (utils::fgets_trunc_nl(buffer,MAXLINE,fp) == nullptr) {
eof = 1; eof = 1;
buffer[0] = '\0'; buffer[0] = '\0';
} }
@ -2063,7 +2064,7 @@ void ReadData::skip_lines(bigint n)
if (me) return; if (me) return;
if (n <= 0) return; if (n <= 0) return;
char *eof = nullptr; char *eof = nullptr;
for (bigint i = 0; i < n; i++) eof = fgets(line,MAXLINE,fp); for (bigint i = 0; i < n; i++) eof = utils::fgets_trunc_nl(line,MAXLINE,fp);
if (eof == nullptr) error->one(FLERR,"Unexpected end of data file"); if (eof == nullptr) error->one(FLERR,"Unexpected end of data file");
} }