| 129 |
|
designs, such as lifespan control \textit{etc}, we only use the |
| 130 |
|
static data approach in {\sc OOPSE}. {\tt IntegratorFactory} class |
| 131 |
|
is declared as |
| 132 |
< |
\begin{lstlisting}[float,caption={[A classic Singleton design pattern implementation(I)] Declaration of {\tt IntegratorFactory} class.},label={appendixScheme:singletonDeclaration}] |
| 132 |
> |
\begin{lstlisting}[float,caption={[A classic Singleton design pattern implementation(I)] The declaration of of simple Singleton pattern.},label={appendixScheme:singletonDeclaration}] |
| 133 |
|
|
| 134 |
|
class IntegratorFactory { |
| 135 |
< |
public: |
| 136 |
< |
static IntegratorFactory* getInstance(); |
| 137 |
< |
protected: |
| 138 |
< |
IntegratorFactory(); |
| 139 |
< |
private: |
| 140 |
< |
static IntegratorFactory* instance_; |
| 135 |
> |
public: |
| 136 |
> |
static IntegratorFactory* |
| 137 |
> |
getInstance(); |
| 138 |
> |
protected: |
| 139 |
> |
IntegratorFactory(); |
| 140 |
> |
private: |
| 141 |
> |
static IntegratorFactory* instance_; |
| 142 |
|
}; |
| 143 |
|
|
| 144 |
|
\end{lstlisting} |
| 145 |
|
The corresponding implementation is |
| 146 |
< |
\begin{lstlisting}[float,caption={[A classic implementation of Singleton design pattern (II)] Implementation of {\tt IntegratorFactory} class.},label={appendixScheme:singletonImplementation}] |
| 146 |
> |
\begin{lstlisting}[float,caption={[A classic implementation of Singleton design pattern (II)] The implementation of simple Singleton pattern.},label={appendixScheme:singletonImplementation}] |
| 147 |
|
|
| 148 |
|
IntegratorFactory::instance_ = NULL; |
| 149 |
|
|
| 169 |
|
with the problem of creating objects without specifying the exact |
| 170 |
|
class of object that will be created. Factory Method is typically |
| 171 |
|
implemented by delegating the creation operation to the subclasses. |
| 172 |
+ |
{\tt Integrator} class Parameterized Factory pattern where factory |
| 173 |
+ |
method ({\tt createIntegrator} member function) creates products |
| 174 |
+ |
based on the identifier (see |
| 175 |
+ |
List.~\ref{appendixScheme:factoryDeclaration}). If the identifier |
| 176 |
+ |
has been already registered, the factory method will invoke the |
| 177 |
+ |
corresponding creator (see List.~\ref{integratorCreator}) which |
| 178 |
+ |
utilizes the modern C++ template technique to avoid subclassing. |
| 179 |
+ |
\begin{lstlisting}[float,caption={[The implementation of Parameterized Factory pattern (I)]Source code of {\tt IntegratorFactory} class.},label={appendixScheme:factoryDeclaration}] |
| 180 |
|
|
| 172 |
– |
Registers a creator with a type identifier. Looks up the type |
| 173 |
– |
identifier in the internal map. If it is found, it invokes the |
| 174 |
– |
corresponding creator for the type identifier and returns its |
| 175 |
– |
result. |
| 176 |
– |
\begin{lstlisting}[float,caption={[The implementation of Factory pattern (I)].},label={appendixScheme:factoryDeclaration}] |
| 177 |
– |
|
| 181 |
|
class IntegratorFactory { |
| 182 |
< |
public: |
| 183 |
< |
typedef std::map<string, IntegratorCreator*> CreatorMapType; |
| 182 |
> |
public: |
| 183 |
> |
typedef std::map<string, IntegratorCreator*> CreatorMapType; |
| 184 |
|
|
| 185 |
< |
bool registerIntegrator(IntegratorCreator* creator); |
| 185 |
> |
bool registerIntegrator(IntegratorCreator* creator) { |
| 186 |
> |
return creatorMap_.insert(creator->getIdent(), creator).second; |
| 187 |
> |
} |
| 188 |
|
|
| 189 |
< |
Integrator* createIntegrator(const string& id, SimInfo* info); |
| 189 |
> |
Integrator* createIntegrator(const string& id, SimInfo* info) { |
| 190 |
> |
Integrator* result = NULL; |
| 191 |
> |
CreatorMapType::iterator i = creatorMap_.find(id); |
| 192 |
> |
if (i != creatorMap_.end()) { |
| 193 |
> |
result = (i->second)->create(info); |
| 194 |
> |
} |
| 195 |
> |
return result; |
| 196 |
> |
} |
| 197 |
|
|
| 198 |
< |
private: |
| 199 |
< |
CreatorMapType creatorMap_; |
| 198 |
> |
private: |
| 199 |
> |
CreatorMapType creatorMap_; |
| 200 |
|
}; |
| 189 |
– |
|
| 201 |
|
\end{lstlisting} |
| 202 |
+ |
\begin{lstlisting}[float,caption={[The implementation of Parameterized Factory pattern (III)]Source code of creator classes.},label={appendixScheme:integratorCreator}] |
| 203 |
|
|
| 192 |
– |
\begin{lstlisting}[float,caption={[The implementation of Factory pattern (II)].},label={appendixScheme:factoryDeclarationImplementation}] |
| 193 |
– |
|
| 194 |
– |
bool IntegratorFactory::unregisterIntegrator(const string& id) { |
| 195 |
– |
return creatorMap_.erase(id) == 1; |
| 196 |
– |
} |
| 197 |
– |
|
| 198 |
– |
Integrator* IntegratorFactory::createIntegrator(const string& id, |
| 199 |
– |
SimInfo* info) { |
| 200 |
– |
CreatorMapType::iterator i = creatorMap_.find(id); |
| 201 |
– |
if (i != creatorMap_.end()) { |
| 202 |
– |
return (i->second)->create(info); |
| 203 |
– |
} else { |
| 204 |
– |
return NULL; |
| 205 |
– |
} |
| 206 |
– |
} |
| 207 |
– |
|
| 208 |
– |
\end{lstlisting} |
| 209 |
– |
|
| 210 |
– |
\begin{lstlisting}[float,caption={[The implementation of Factory pattern (III)].},label={appendixScheme:integratorCreator}] |
| 211 |
– |
|
| 204 |
|
class IntegratorCreator { |
| 205 |
< |
public: |
| 205 |
> |
public: |
| 206 |
|
IntegratorCreator(const string& ident) : ident_(ident) {} |
| 207 |
|
|
| 208 |
|
const string& getIdent() const { return ident_; } |
| 209 |
|
|
| 210 |
|
virtual Integrator* create(SimInfo* info) const = 0; |
| 211 |
|
|
| 212 |
< |
private: |
| 212 |
> |
private: |
| 213 |
|
string ident_; |
| 214 |
|
}; |
| 215 |
|
|
| 216 |
|
template<class ConcreteIntegrator> |
| 217 |
|
class IntegratorBuilder : public IntegratorCreator { |
| 218 |
< |
public: |
| 219 |
< |
IntegratorBuilder(const string& ident) : IntegratorCreator(ident) {} |
| 220 |
< |
virtual Integrator* create(SimInfo* info) const { |
| 221 |
< |
return new ConcreteIntegrator(info); |
| 222 |
< |
} |
| 218 |
> |
public: |
| 219 |
> |
IntegratorBuilder(const string& ident) |
| 220 |
> |
: IntegratorCreator(ident) {} |
| 221 |
> |
virtual Integrator* create(SimInfo* info) const { |
| 222 |
> |
return new ConcreteIntegrator(info); |
| 223 |
> |
} |
| 224 |
|
}; |
| 225 |
|
\end{lstlisting} |
| 226 |
|
|
| 229 |
|
The purpose of the Visitor Pattern is to encapsulate an operation |
| 230 |
|
that you want to perform on the elements. The operation being |
| 231 |
|
performed on a structure can be switched without changing the |
| 232 |
< |
interfaces of the elements. In other words, one can add virtual |
| 232 |
> |
interfaces of the elements. In other words, one can add virtual |
| 233 |
|
functions into a set of classes without modifying their interfaces. |
| 234 |
< |
The UML class diagram of Visitor patten is shown in |
| 235 |
< |
Fig.~\ref{appendixFig:visitorUML}. {\tt Dump2XYZ} program in |
| 236 |
< |
Sec.~\ref{appendixSection:Dump2XYZ} uses Visitor pattern |
| 237 |
< |
extensively. |
| 234 |
> |
Fig.~\ref{appendixFig:visitorUML} demonstrates the structure of |
| 235 |
> |
Visitor pattern which is used extensively in {\tt Dump2XYZ}. In |
| 236 |
> |
order to convert an OOPSE dump file, a series of distinct and |
| 237 |
> |
unrelated operations are performed on different StuntDoubles. |
| 238 |
> |
Visitor allows one to keep related operations together by packing |
| 239 |
> |
them into one class. {\tt BaseAtomVisitor} is a typical example of |
| 240 |
> |
visitor in {\tt Dump2XYZ} program{see |
| 241 |
> |
List.~\ref{appendixScheme:visitor}}. In contrast to the operations, |
| 242 |
> |
the object structure or element classes rarely change(See |
| 243 |
> |
Fig.~\ref{oopseFig:heirarchy} and |
| 244 |
> |
List.~\ref{appendixScheme:element}). |
| 245 |
|
|
| 246 |
+ |
|
| 247 |
|
\begin{figure} |
| 248 |
|
\centering |
| 249 |
|
\includegraphics[width=\linewidth]{visitor.eps} |
| 250 |
< |
\caption[The architecture of {\sc OOPSE}] {Overview of the structure |
| 251 |
< |
of {\sc OOPSE}} \label{appendixFig:visitorUML} |
| 250 |
> |
\caption[The UML class diagram of Visitor patten] {The UML class |
| 251 |
> |
diagram of Visitor patten.} \label{appendixFig:visitorUML} |
| 252 |
|
\end{figure} |
| 253 |
|
|
| 254 |
|
\begin{lstlisting}[float,caption={[The implementation of Visitor pattern (I)]Source code of the visitor classes.},label={appendixScheme:visitor}] |
| 255 |
|
|
| 256 |
|
class BaseVisitor{ |
| 257 |
< |
public: |
| 258 |
< |
virtual void visit(Atom* atom); |
| 259 |
< |
virtual void visit(DirectionalAtom* datom); |
| 260 |
< |
virtual void visit(RigidBody* rb); |
| 257 |
> |
public: |
| 258 |
> |
virtual void visit(Atom* atom); |
| 259 |
> |
virtual void visit(DirectionalAtom* datom); |
| 260 |
> |
virtual void visit(RigidBody* rb); |
| 261 |
|
}; |
| 262 |
|
|
| 263 |
+ |
class BaseAtomVisitor:public BaseVisitor{ public: |
| 264 |
+ |
virtual void visit(Atom* atom); |
| 265 |
+ |
virtual void visit(DirectionalAtom* datom); |
| 266 |
+ |
virtual void visit(RigidBody* rb); |
| 267 |
+ |
}; |
| 268 |
+ |
|
| 269 |
|
\end{lstlisting} |
| 270 |
|
|
| 271 |
|
\begin{lstlisting}[float,caption={[The implementation of Visitor pattern (II)]Source code of the element classes.},label={appendixScheme:element}] |
| 272 |
|
|
| 273 |
|
class StuntDouble { |
| 274 |
< |
public: |
| 275 |
< |
virtual void accept(BaseVisitor* v) = 0; |
| 274 |
> |
public: |
| 275 |
> |
virtual void accept(BaseVisitor* v) = 0; |
| 276 |
|
}; |
| 277 |
|
|
| 278 |
|
class Atom: public StuntDouble { |
| 279 |
< |
public: |
| 280 |
< |
virtual void accept{BaseVisitor* v*} { |
| 281 |
< |
v->visit(this); |
| 282 |
< |
} |
| 279 |
> |
public: |
| 280 |
> |
virtual void accept{BaseVisitor* v*} { |
| 281 |
> |
v->visit(this); |
| 282 |
> |
} |
| 283 |
|
}; |
| 284 |
|
|
| 285 |
|
class DirectionalAtom: public Atom { |
| 286 |
< |
public: |
| 287 |
< |
virtual void accept{BaseVisitor* v*} { |
| 288 |
< |
v->visit(this); |
| 289 |
< |
} |
| 286 |
> |
public: |
| 287 |
> |
virtual void accept{BaseVisitor* v*} { |
| 288 |
> |
v->visit(this); |
| 289 |
> |
} |
| 290 |
|
}; |
| 291 |
|
|
| 292 |
|
class RigidBody: public StuntDouble { |
| 293 |
< |
public: |
| 294 |
< |
virtual void accept{BaseVisitor* v*} { |
| 295 |
< |
v->visit(this); |
| 296 |
< |
} |
| 293 |
> |
public: |
| 294 |
> |
virtual void accept{BaseVisitor* v*} { |
| 295 |
> |
v->visit(this); |
| 296 |
> |
} |
| 297 |
|
}; |
| 298 |
|
|
| 299 |
|
\end{lstlisting} |
| 312 |
|
on the specifics of the simulation). The names of rigid bodies are |
| 313 |
|
generated automatically. For example, the name of the first rigid |
| 314 |
|
body in a DMPC molecule is DMPC\_RB\_0. |
| 315 |
< |
\begin{figure} |
| 316 |
< |
\centering |
| 317 |
< |
\includegraphics[width=\linewidth]{heirarchy.eps} |
| 318 |
< |
\caption[Class heirarchy for StuntDoubles in {\sc OOPSE}]{ The class |
| 319 |
< |
heirarchy of StuntDoubles in {\sc OOPSE}. |
| 320 |
< |
\begin{itemize} |
| 321 |
< |
\item A {\bf StuntDouble} is {\it any} object that can be manipulated by the |
| 322 |
< |
integrators and minimizers. |
| 323 |
< |
\item An {\bf Atom} is a fundamental point-particle that can be moved around during a simulation. |
| 324 |
< |
\item A {\bf DirectionalAtom} is an atom which has {\it orientational} as well as translational degrees of freedom. |
| 325 |
< |
\item A {\bf RigidBody} is a collection of {\bf Atom}s or {\bf |
| 326 |
< |
DirectionalAtom}s which behaves as a single unit. |
| 327 |
< |
\end{itemize} |
| 328 |
< |
} \label{oopseFig:heirarchy} |
| 329 |
< |
\end{figure} |
| 315 |
> |
%\begin{figure} |
| 316 |
> |
%\centering |
| 317 |
> |
%\includegraphics[width=\linewidth]{heirarchy.eps} |
| 318 |
> |
%\caption[Class heirarchy for ojects in {\sc OOPSE}]{ A diagram of |
| 319 |
> |
%the class heirarchy. |
| 320 |
> |
%\begin{itemize} |
| 321 |
> |
%\item A {\bf StuntDouble} is {\it any} object that can be manipulated by the |
| 322 |
> |
%integrators and minimizers. |
| 323 |
> |
%\item An {\bf Atom} is a fundamental point-particle that can be moved around during a simulation. |
| 324 |
> |
%\item A {\bf DirectionalAtom} is an atom which has {\it orientational} as well as translational degrees of freedom. |
| 325 |
> |
%\item A {\bf RigidBody} is a collection of {\bf Atom}s or {\bf |
| 326 |
> |
%DirectionalAtom}s which behaves as a single unit. |
| 327 |
> |
%\end{itemize} |
| 328 |
> |
%} \label{oopseFig:heirarchy} |
| 329 |
> |
%\end{figure} |
| 330 |
|
|
| 331 |
|
\section{\label{appendixSection:syntax}Syntax of the Select Command} |
| 332 |
|
|