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Merge pull request #2655 from akohlmey/collected-refactoring

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Collected small code refactoring changes
This commit is contained in:
Axel Kohlmeyer
2021-03-16 18:39:30 -04:00
committed by GitHub
parent 772190efd1 cf19197f79
commit 2e45c84c6a
33 changed files with 503 additions and 559 deletions
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25
src/group.cpp
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@ -28,6 +28,7 @@
#include "modify.h"
#include "output.h"
#include "region.h"
#include "tokenizer.h"
#include "variable.h"
#include <cmath>
@ -300,20 +301,24 @@ void Group::assign(int narg, char **arg)
else if (category == MOLECULE) tattribute = atom->molecule;
else if (category == ID) tattribute = atom->tag;
char *ptr;
tagint start,stop,delta;
for (int iarg = 2; iarg < narg; iarg++) {
delta = 1;
if (strchr(arg[iarg],':')) {
ptr = strtok(arg[iarg],":");
start = utils::tnumeric(FLERR,ptr,false,lmp);
ptr = strtok(nullptr,":");
stop = utils::tnumeric(FLERR,ptr,false,lmp);
ptr = strtok(nullptr,":");
if (ptr) delta = utils::tnumeric(FLERR,ptr,false,lmp);
} else {
start = stop = utils::tnumeric(FLERR,arg[iarg],false,lmp);
try {
ValueTokenizer values(arg[iarg],":");
start = values.next_tagint();
if (utils::strmatch(arg[iarg],"^-?\\d+$")) {
stop = start;
} else if (utils::strmatch(arg[iarg],"^-?\\d+:-?\\d+$")) {
stop = values.next_tagint();
} else if (utils::strmatch(arg[iarg],"^-?\\d+:-?\\d+:\\d+$")) {
stop = values.next_tagint();
delta = values.next_tagint();
} else throw TokenizerException("Syntax error","");
} catch (TokenizerException &e) {
error->all(FLERR,fmt::format("Incorrect range string "
"'{}': {}",arg[iarg],e.what()));
}
if (delta < 1)
error->all(FLERR,"Illegal range increment value");