diff --git a/src/bias/MetaD.cpp b/src/bias/MetaD.cpp
index 3b458f40354b5c7f27ad474cdd9d85bf558fc217..393452b6cccce34f4e7d787b1867cb24e9916e72 100644
--- a/src/bias/MetaD.cpp
+++ b/src/bias/MetaD.cpp
@@ -1160,7 +1160,7 @@ MetaD::MetaD(const ActionOptions& ao):
bool concurrent=false;
const ActionSet&actionSet(plumed.getActionSet());
- for(const auto & p : actionSet) if(dynamic_cast<MetaD*>(p)) { concurrent=true; break; }
+ for(const auto & p : actionSet) if(dynamic_cast<MetaD*>(p.get())) { concurrent=true; break; }
if(concurrent) log<<" You are using concurrent metadynamics\n";
if(rect_biasf_.size()>0) {
if(walkers_mpi) {
diff --git a/src/core/ActionAtomistic.cpp b/src/core/ActionAtomistic.cpp
index 8973b6866530c5e7838c9f8b0b7ad671767ce70a..35f6086d23e944bb56b862d1fd99807ab2301f17 100644
--- a/src/core/ActionAtomistic.cpp
+++ b/src/core/ActionAtomistic.cpp
@@ -197,7 +197,7 @@ void ActionAtomistic::interpretAtomList( std::vector<std::string>& strings, std:
if(!ok) {
const ActionSet&actionSet(plumed.getActionSet());
for(const auto & a : actionSet) {
- ActionWithVirtualAtom* c=dynamic_cast<ActionWithVirtualAtom*>(a);
+ ActionWithVirtualAtom* c=dynamic_cast<ActionWithVirtualAtom*>(a.get());
if(c) if(c->getLabel()==strings[i]) {
ok=true;
t.push_back(c->getIndex());
diff --git a/src/core/ActionSet.cpp b/src/core/ActionSet.cpp
index 35334eca211c7e35d999df0d596f42e504d4f4c2..cbc9955e002722e596ae0229585b084b6ba8fc74 100644
--- a/src/core/ActionSet.cpp
+++ b/src/core/ActionSet.cpp
@@ -31,11 +31,12 @@ ActionSet::ActionSet(PlumedMain&p):
ActionSet::~ActionSet()
{
- for(int i=size()-1; i>=0; i--) delete (*this)[i];
+// required in order to deallocate in reverse order:
+ for(int i=size()-1; i>=0; i--) (*this)[i].reset();
}
void ActionSet::clearDelete() {
- for(int i=size()-1; i>=0; i--) delete (*this)[i];
+ for(int i=size()-1; i>=0; i--) (*this)[i].reset();
clear();
}
@@ -43,7 +44,7 @@ void ActionSet::clearDelete() {
std::string ActionSet::getLabelList() const {
std::string outlist;
for(const auto & p : (*this)) {
- outlist+=dynamic_cast<Action*>(p)->getLabel()+" ";
+ outlist+=dynamic_cast<Action*>(p.get())->getLabel()+" ";
};
return outlist;
}
@@ -51,7 +52,7 @@ std::string ActionSet::getLabelList() const {
std::vector<std::string> ActionSet::getLabelVector() const {
std::vector<std::string> outlist;
for(const auto & p : (*this)) {
- outlist.push_back(dynamic_cast<Action*>(p)->getLabel());
+ outlist.push_back(dynamic_cast<Action*>(p.get())->getLabel());
};
return outlist;
}
diff --git a/src/core/ActionSet.h b/src/core/ActionSet.h
index c2d48a2690702e2ddc59f09a1552d467fd7f5b2e..24a12dc2b7e30dc5daeb8ba471fa32cd84064f40 100644
--- a/src/core/ActionSet.h
+++ b/src/core/ActionSet.h
@@ -23,6 +23,7 @@
#define __PLUMED_core_ActionSet_h
#include "Action.h"
+#include <memory>
namespace PLMD {
@@ -36,7 +37,7 @@ class PlumedMain;
/// Finally, since it holds pointers, there is a clearDelete() function
/// which deletes the pointers before deleting the vector
class ActionSet:
- public std::vector<Action*>
+ public std::vector<std::unique_ptr<Action>>
{
PlumedMain& plumed;
public:
@@ -73,7 +74,7 @@ template <class T>
std::vector<T> ActionSet::select()const {
std::vector<T> ret;
for(const auto & p : (*this)) {
- T t=dynamic_cast<T>(p);
+ T t=dynamic_cast<T>(p.get());
if(t) ret.push_back(t);
};
return ret;
@@ -82,7 +83,7 @@ std::vector<T> ActionSet::select()const {
template <class T>
T ActionSet::selectWithLabel(const std::string&s)const {
for(const auto & p : (*this)) {
- T t=dynamic_cast<T>(p);
+ T t=dynamic_cast<T>(p.get());
if(t && dynamic_cast<Action*>(t)->getLabel()==s) return t;
};
return NULL;
@@ -93,7 +94,7 @@ std::vector<Action*> ActionSet::selectNot()const {
std::vector<Action*> ret;
for(const auto & p : (*this)) {
T t=dynamic_cast<T>(p);
- if(!t) ret.push_back(p);
+ if(!t) ret.push_back(p.get());
};
return ret;
}
diff --git a/src/core/ActionSetup.cpp b/src/core/ActionSetup.cpp
index 1a0216a7b55c5cdda7f239a55298f42c108b8db5..b9db51e3bf28a788b70e77bad6c88ae686b61451 100644
--- a/src/core/ActionSetup.cpp
+++ b/src/core/ActionSetup.cpp
@@ -32,7 +32,7 @@ ActionSetup::ActionSetup(const ActionOptions&ao):
const ActionSet& actionset(plumed.getActionSet());
for(const auto & p : actionset) {
// check that all the preceeding actions are ActionSetup
- if( !dynamic_cast<ActionSetup*>(p) ) error("Action " + getLabel() + " is a setup action, and should be only preceeded by other setup actions");
+ if( !dynamic_cast<ActionSetup*>(p.get()) ) error("Action " + getLabel() + " is a setup action, and should be only preceeded by other setup actions");
}
}
diff --git a/src/core/PlumedMain.cpp b/src/core/PlumedMain.cpp
index 761062b8c871e976c47f5bc0f52f468af1b4f968..9a28cc0a065df28d2a7c070e466f14cd6f26d00d 100644
--- a/src/core/PlumedMain.cpp
+++ b/src/core/PlumedMain.cpp
@@ -530,7 +530,7 @@ void PlumedMain::readInputWords(const std::vector<std::string> & words) {
} else {
std::vector<std::string> interpreted(words);
Tools::interpretLabel(interpreted);
- Action* action=actionRegister().create(ActionOptions(*this,interpreted));
+ std::unique_ptr<Action> action(actionRegister().create(ActionOptions(*this,interpreted)));
if(!action) {
log<<"ERROR\n";
log<<"I cannot understand line:";
@@ -540,7 +540,7 @@ void PlumedMain::readInputWords(const std::vector<std::string> & words) {
plumed_merror("I cannot understand line " + interpreted[0] + " " + interpreted[1]);
};
action->checkRead();
- actionSet.push_back(action);
+ actionSet.emplace_back(std::move(action));
};
pilots=actionSet.select<ActionPilot*>();
@@ -640,7 +640,8 @@ void PlumedMain::justCalculate() {
int iaction=0;
// calculate the active actions in order (assuming *backward* dependence)
- for(const auto & p : actionSet) {
+ for(const auto & pp : actionSet) {
+ Action* p(pp.get());
if(p->isActive()) {
std::string actionNumberLabel;
if(detailedTimers) {
@@ -684,7 +685,7 @@ void PlumedMain::backwardPropagate() {
stopwatch.start("5 Applying (backward loop)");
// apply them in reverse order
for(auto pp=actionSet.rbegin(); pp!=actionSet.rend(); ++pp) {
- const auto & p(*pp);
+ const auto & p(pp->get());
if(p->isActive()) {
std::string actionNumberLabel;
diff --git a/src/generic/Debug.cpp b/src/generic/Debug.cpp
index 36654b0d90fdb901fcdfc15fa027b3f71112c05d..b2d10ae96f6e53ebac7cf684b232e6f238a8a6d7 100644
--- a/src/generic/Debug.cpp
+++ b/src/generic/Debug.cpp
@@ -109,13 +109,13 @@ void Debug::apply() {
const ActionSet&actionSet(plumed.getActionSet());
int a=0;
for(const auto & p : actionSet) {
- if(dynamic_cast<Debug*>(p))continue;
+ if(dynamic_cast<Debug*>(p.get()))continue;
if(p->isActive()) a++;
};
if(a>0) {
ofile.printf("activity at step %i: ",getStep());
for(const auto & p : actionSet) {
- if(dynamic_cast<Debug*>(p))continue;
+ if(dynamic_cast<Debug*>(p.get()))continue;
if(p->isActive()) ofile.printf("+");
else ofile.printf("-");
};