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added internal fix dummy command to enable more control of fix ordering

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This commit is contained in:
Steve Plimpton
2019-11-05 12:57:34 -07:00
parent cf251eb8be
commit d8ef5f6991
17 changed files with 253 additions and 32 deletions
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40
src/modify.cpp
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@ -953,6 +953,46 @@ void Modify::add_fix(int narg, char **arg, int trysuffix)
fix[ifix]->post_constructor();
}
/* ----------------------------------------------------------------------
replace replaceID fix with a new fix
this is used by callers to preserve ordering of fixes
e.g. create replaceID as a FixDummy instance early in the input script
replace it later with the desired Fix instance
------------------------------------------------------------------------- */
void Modify::replace_fix(const char *replaceID,
int narg, char **arg, int trysuffix)
{
int ifix = find_fix(replaceID);
if (ifix < 0) error->all(FLERR,"Modify replace_fix ID could not be found");
// change ID, igroup, style of fix being replaced to match new fix
// requires some error checking on arguments for new fix
if (narg < 3) error->all(FLERR,"Illegal replace_fix invocation");
int jfix = find_fix(arg[0]);
if (jfix >= 0) error->all(FLERR,"Replace_fix ID is already in use");
delete [] fix[ifix]->id;
int n = strlen(arg[0]) + 1;
fix[ifix]->id = new char[n];
strcpy(fix[ifix]->id,arg[0]);
int jgroup = group->find(arg[1]);
if (jgroup == -1) error->all(FLERR,"Could not find replace_fix group ID");
fix[ifix]->igroup = jgroup;
delete [] fix[ifix]->style;
n = strlen(arg[2]) + 1;
fix[ifix]->style = new char[n];
strcpy(fix[ifix]->style,arg[2]);
// invoke add_fix
// it will find and overwrite the replaceID fix
add_fix(narg,arg,trysuffix);
}
/* ----------------------------------------------------------------------
one instance per fix in style_fix.h
------------------------------------------------------------------------- */