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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10310 f3b2605a-c512-4ea7-a41b-209d697bcdaa

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sjplimp
2013-07-23 19:01:37 +00:00
parent 4b21fc7c81
commit cb7f385d43
9 changed files with 245 additions and 226 deletions
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49
src/force.cpp
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@ -73,6 +73,17 @@ Force::Force(LAMMPS *lmp) : Pointers(lmp)
strcpy(improper_style,str);
kspace_style = new char[n];
strcpy(kspace_style,str);
// fill pair map with fixes listed in style_pair.h
pair_map = new std::map<std::string,PairCreator>();
#define PAIR_CLASS
#define PairStyle(key,Class) \
(*pair_map)[#key] = &pair_creator<Class>;
#include "style_pair.h"
#undef PairStyle
#undef PAIR_CLASS
}
/* ---------------------------------------------------------------------- */
@ -134,7 +145,8 @@ void Force::create_pair(const char *style, const char *suffix)
}
/* ----------------------------------------------------------------------
generate a pair class, first with suffix appended
generate a pair class
try first with suffix appended
------------------------------------------------------------------------- */
Pair *Force::new_pair(const char *style, const char *suffix, int &sflag)
@ -144,31 +156,34 @@ Pair *Force::new_pair(const char *style, const char *suffix, int &sflag)
char estyle[256];
sprintf(estyle,"%s/%s",style,suffix);
if (0) return NULL;
#define PAIR_CLASS
#define PairStyle(key,Class) \
else if (strcmp(estyle,#key) == 0) return new Class(lmp);
#include "style_pair.h"
#undef PairStyle
#undef PAIR_CLASS
if (pair_map->find(estyle) != pair_map->end()) {
PairCreator pair_creator = (*pair_map)[estyle];
return pair_creator(lmp);
}
}
sflag = 0;
if (strcmp(style,"none") == 0) return NULL;
if (pair_map->find(style) != pair_map->end()) {
PairCreator pair_creator = (*pair_map)[style];
return pair_creator(lmp);
}
#define PAIR_CLASS
#define PairStyle(key,Class) \
else if (strcmp(style,#key) == 0) return new Class(lmp);
#include "style_pair.h"
#undef PAIR_CLASS
else error->all(FLERR,"Invalid pair style");
error->all(FLERR,"Invalid pair style");
return NULL;
}
/* ----------------------------------------------------------------------
one instance per pair style in style_pair.h
------------------------------------------------------------------------- */
template <typename T>
Pair *Force::pair_creator(LAMMPS *lmp)
{
return new T(lmp);
}
/* ----------------------------------------------------------------------
return ptr to Pair class if matches word or matches hybrid sub-style
if exact, then style name must be exact match to word