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bond/react:group->assign convenient version

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This commit is contained in:
Jacob Gissinger
2020-06-26 21:37:46 -06:00
parent 7f05c578f5
commit e7f147a27b
1 changed files with 11 additions and 27 deletions
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38
src/USER-REACTION/fix_bond_react.cpp
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@ -576,17 +576,13 @@ FixBondReact::~FixBondReact()
delete [] set;
if (group) {
char **newarg;
newarg = new char*[2];
newarg[0] = master_group;
newarg[1] = (char *) "delete";
group->assign(2,newarg);
std::string cmd = fmt::format("{} delete",master_group);
group->assign(cmd);
if (stabilization_flag == 1) {
newarg[0] = exclude_group;
group->assign(2,newarg);
cmd = fmt::format("{} delete",exclude_group);
group->assign(cmd);
delete [] exclude_group;
}
delete [] newarg;
}
}
@ -624,15 +620,8 @@ void FixBondReact::post_constructor()
// create master_group if not already existing
// NOTE: limit_tags and react_tags automaticaly intitialized to zero (unless read from restart)
group->find_or_create(master_group);
char **newarg;
newarg = new char*[5];
newarg[0] = master_group;
newarg[1] = (char *) "dynamic";
newarg[2] = (char *) "all";
newarg[3] = (char *) "property";
newarg[4] = (char *) "limit_tags";
group->assign(5,newarg);
delete [] newarg;
cmd = fmt::format("{} dynamic all property limit_tags",master_group);
group->assign(cmd);
if (stabilization_flag == 1) {
int igroup = group->find(exclude_group);
@ -667,16 +656,11 @@ void FixBondReact::post_constructor()
strcat(exclude_group,"_REACT");
group->find_or_create(exclude_group);
char **newarg;
newarg = new char*[5];
newarg[0] = exclude_group;
newarg[1] = (char *) "dynamic";
if (igroup == -1) newarg[2] = (char *) "all";
else newarg[2] = (char *) exclude_PARENT_group;
newarg[3] = (char *) "property";
newarg[4] = (char *) "statted_tags";
group->assign(5,newarg);
delete [] newarg;
if (igroup == -1)
cmd = fmt::format("{} dynamic all property statted_tags",exclude_group);
else
cmd = fmt::format("{} dynamic {} property statted_tags",exclude_group,exclude_PARENT_group);
group->assign(cmd);
delete [] exclude_PARENT_group;
// on to statted_tags (system-wide thermostat)