Since I got bitten by forgetting to add a restraint to a model I added a warning. Restraint will print out a message if it is destroyed without ever having been added to a Model. This warning can be disabled for a restraint by calling Restraint::set_was_owned(true).

Index: kernel/include/IMP/Restraint.h =================================================================== --- kernel/include/IMP/Restraint.h (revision 672) +++ kernel/include/IMP/Restraint.h (working copy) @@ -43,7 +43,7 @@ constructor and should provide methods so that the set of particles can be modified after construction.

- A restraint can be added to the model multiple times or to multiple + A restraint can be added to the model multiple times or to multiple restraint sets in the same model.

\note When logging is VERBOSE, restraints should print enough information @@ -53,6 +53,13 @@

\note Physical restraints should use the units of kcal/mol for restraint values and kcal/mol/A for derivatives. + + \note Restraints will print a warning message if they are destroyed + without ever having been added to a model as this is an easy mistake + to make. To disable this warning for a particular restraint, call + set_was_owned(true). + + \ingroup kernel */ class IMPDLLEXPORT Restraint : public RefCountedObject { @@ -96,9 +103,16 @@ Model *get_model() const { IMP_assert(model_, "get_model() called before set_model()"); - return model_.get(); + return model_; }

+ /** A warning is printed if a restraint is destroyed + without ever having belonged to a restraint set or a model. + */ + void set_was_owned(bool tf) { + was_owned_=tf; + } + //! Return a list of sets of particles that are restrained by this restraint /** This function returns a list of sets of particles that are interacting within this restraint. Particles can appear in more @@ -114,12 +128,20 @@ IMP_LIST(protected, Particle, particle, Particle*)

private: - Pointer<Model> model_; + /* This pointer should never be ref counted as Model has a + pointer to this object. Not that Model is refcounted yet. + */ + Model *model_;

/* True if restraint has not been deactivated. If it is not active, evaluate should not be called */ bool is_active_; + + /* keep track of whether the restraint ever was in a model. + Give warnings on destruction if it was not. + */ + bool was_owned_; };

IMP_OUTPUT_OPERATOR(Restraint); Index: kernel/src/Restraint.cpp =================================================================== --- kernel/src/Restraint.cpp (revision 672) +++ kernel/src/Restraint.cpp (working copy) @@ -17,6 +17,7 @@

Restraint::Restraint() { + model_=NULL; is_active_ = true; // active by default }

@@ -24,6 +25,12 @@ //! Destructor Restraint::~Restraint() { + if (!was_owned_) { + // can't use virtual functions in the destructor + std::cerr << "Restraint " << this << " is being destroyed " + << "without ever having been added to a model." + << std::endl; + } }

@@ -43,9 +50,10 @@ { IMP_assert(model==NULL || get_number_of_particles()==0 || model == get_particle(0)->get_model() - || (model_ && model_.get() == model), + || (model_ && model_ == model), "Model* different from Particle Model*"); model_=model; + was_owned_=true; }

void Restraint::show(std::ostream& out) const