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Merge remote-tracking branch 'origin/master' into refactor-table-reading

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This commit is contained in:
Richard Berger
2020-06-05 12:09:57 -04:00
parent cd08dc8425 863828540a
commit 7df387f7d5
65 changed files with 647 additions and 837 deletions
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31
src/fix_property_atom.cpp
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@ -19,6 +19,7 @@
#include "memory.h"
#include "error.h"
#include "utils.h"
#include "fmt/format.h"
using namespace LAMMPS_NS;
using namespace FixConst;
@ -221,11 +222,8 @@ void FixPropertyAtom::read_data_section(char *keyword, int n, char *buf,
int nwords = utils::trim_and_count_words(buf);
*next = '\n';
if (nwords != nvalue+1) {
char str[128];
snprintf(str,128,"Incorrect %s format in data file",keyword);
error->all(FLERR,str);
}
if (nwords != nvalue+1)
error->all(FLERR,fmt::format("Incorrect {} format in data file",keyword));
char **values = new char*[nwords];
@ -239,28 +237,21 @@ void FixPropertyAtom::read_data_section(char *keyword, int n, char *buf,
next = strchr(buf,'\n');
values[0] = strtok(buf," \t\n\r\f");
if (values[0] == NULL) {
char str[128];
snprintf(str,128,"Too few lines in %s section of data file",keyword);
error->one(FLERR,str);
}
if (values[0] == NULL)
error->all(FLERR,fmt::format("Too few lines in {} section of data file",keyword));
int format_ok = 1;
for (j = 1; j < nwords; j++) {
values[j] = strtok(NULL," \t\n\r\f");
if (values[j] == NULL) format_ok = 0;
}
if (!format_ok) {
char str[128];
snprintf(str,128,"Incorrect %s format in data file",keyword);
error->all(FLERR,str);
}
if (!format_ok)
error->all(FLERR,fmt::format("Incorrect {} format in data file",keyword));
itag = ATOTAGINT(values[0]) + id_offset;
if (itag <= 0 || itag > map_tag_max) {
char str[128];
snprintf(str,128,"Invalid atom ID in %s section of data file",keyword);
error->one(FLERR,str);
}
if (itag <= 0 || itag > map_tag_max)
error->all(FLERR,fmt::format("Invalid atom ID {} in {} section of "
"data file",itag, keyword));
// assign words in line to per-atom vectors