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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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119
src/modify.cpp
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@ -72,6 +72,28 @@ Modify::Modify(LAMMPS *lmp) : Pointers(lmp)
ncompute = maxcompute = 0;
compute = NULL;
// fill map with fixes listed in style_fix.h
fix_map = new std::map<std::string,FixCreator>();
#define FIX_CLASS
#define FixStyle(key,Class) \
(*fix_map)[#key] = &fix_creator<Class>;
#include "style_fix.h"
#undef FixStyle
#undef FIX_CLASS
// fill map with computes listed in style_compute.h
compute_map = new std::map<std::string,ComputeCreator>();
#define COMPUTE_CLASS
#define ComputeStyle(key,Class) \
(*compute_map)[#key] = &compute_creator<Class>;
#include "style_compute.h"
#undef ComputeStyle
#undef COMPUTE_CLASS
}
/* ---------------------------------------------------------------------- */
@ -666,40 +688,27 @@ void Modify::add_fix(int narg, char **arg, char *suffix)
}
}
// create the Fix, first with suffix appended
// create the Fix
// try first with suffix appended
int success = 0;
fix[ifix] = NULL;
if (suffix && lmp->suffix_enable) {
char estyle[256];
sprintf(estyle,"%s/%s",arg[2],suffix);
success = 1;
if (0) return;
#define FIX_CLASS
#define FixStyle(key,Class) \
else if (strcmp(estyle,#key) == 0) fix[ifix] = new Class(lmp,narg,arg);
#include "style_fix.h"
#undef FixStyle
#undef FIX_CLASS
else success = 0;
if (fix_map->find(estyle) != fix_map->end()) {
FixCreator fix_creator = (*fix_map)[estyle];
fix[ifix] = fix_creator(lmp,narg,arg);
}
}
if (!success) {
if (0) return;
#define FIX_CLASS
#define FixStyle(key,Class) \
else if (strcmp(arg[2],#key) == 0) fix[ifix] = new Class(lmp,narg,arg);
#include "style_fix.h"
#undef FixStyle
#undef FIX_CLASS
else error->all(FLERR,"Invalid fix style");
if (fix[ifix] == NULL && fix_map->find(arg[2]) != fix_map->end()) {
FixCreator fix_creator = (*fix_map)[arg[2]];
fix[ifix] = fix_creator(lmp,narg,arg);
}
if (fix[ifix] == NULL) error->all(FLERR,"Invalid fix style");
// set fix mask values and increment nfix (if new)
fmask[ifix] = fix[ifix]->setmask();
@ -738,6 +747,16 @@ void Modify::add_fix(int narg, char **arg, char *suffix)
}
}
/* ----------------------------------------------------------------------
one instance per fix in style_fix.h
------------------------------------------------------------------------- */
template <typename T>
Fix *Modify::fix_creator(LAMMPS *lmp, int narg, char **arg)
{
return new T(lmp,narg,arg);
}
/* ----------------------------------------------------------------------
modify a Fix's parameters
------------------------------------------------------------------------- */
@ -811,45 +830,41 @@ void Modify::add_compute(int narg, char **arg, char *suffix)
memory->srealloc(compute,maxcompute*sizeof(Compute *),"modify:compute");
}
// create the Compute, first with suffix appended
// create the Compute
// try first with suffix appended
int success = 0;
compute[ncompute] = NULL;
if (suffix && lmp->suffix_enable) {
char estyle[256];
sprintf(estyle,"%s/%s",arg[2],suffix);
success = 1;
if (0) return;
#define COMPUTE_CLASS
#define ComputeStyle(key,Class) \
else if (strcmp(estyle,#key) == 0) \
compute[ncompute] = new Class(lmp,narg,arg);
#include "style_compute.h"
#undef ComputeStyle
#undef COMPUTE_CLASS
else success = 0;
if (compute_map->find(estyle) != compute_map->end()) {
ComputeCreator compute_creator = (*compute_map)[estyle];
compute[ncompute] = compute_creator(lmp,narg,arg);
}
}
if (!success) {
if (0) return;
#define COMPUTE_CLASS
#define ComputeStyle(key,Class) \
else if (strcmp(arg[2],#key) == 0) \
compute[ncompute] = new Class(lmp,narg,arg);
#include "style_compute.h"
#undef ComputeStyle
#undef COMPUTE_CLASS
else error->all(FLERR,"Invalid compute style");
if (compute[ncompute] == NULL &&
compute_map->find(arg[2]) != compute_map->end()) {
ComputeCreator compute_creator = (*compute_map)[arg[2]];
compute[ncompute] = compute_creator(lmp,narg,arg);
}
if (compute[ncompute] == NULL) error->all(FLERR,"Invalid compute style");
ncompute++;
}
/* ----------------------------------------------------------------------
one instance per compute in style_compute.h
------------------------------------------------------------------------- */
template <typename T>
Compute *Modify::compute_creator(LAMMPS *lmp, int narg, char **arg)
{
return new T(lmp,narg,arg);
}
/* ----------------------------------------------------------------------
modify a Compute's parameters
------------------------------------------------------------------------- */