| 132 |
|
\begin{lstlisting}[float,caption={[A classic Singleton design pattern implementation(I)] Declaration of {\tt IntegratorFactory} class.},label={appendixScheme:singletonDeclaration}] |
| 133 |
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|
| 134 |
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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 |
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|
| 144 |
|
\end{lstlisting} |
| 177 |
|
\begin{lstlisting}[float,caption={[The implementation of Factory pattern (I)].},label={appendixScheme:factoryDeclaration}] |
| 178 |
|
|
| 179 |
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class IntegratorFactory { |
| 180 |
< |
public: |
| 181 |
< |
typedef std::map<string, IntegratorCreator*> CreatorMapType; |
| 180 |
> |
public: |
| 181 |
> |
typedef std::map<string, IntegratorCreator*> CreatorMapType; |
| 182 |
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|
| 183 |
< |
bool registerIntegrator(IntegratorCreator* creator); |
| 183 |
> |
bool registerIntegrator(IntegratorCreator* creator) { |
| 184 |
> |
return creatorMap_.insert(creator->getIdent(), creator).second; |
| 185 |
> |
} |
| 186 |
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|
| 187 |
< |
Integrator* createIntegrator(const string& id, SimInfo* info); |
| 187 |
> |
Integrator* createIntegrator(const string& id, SimInfo* info) { |
| 188 |
> |
Integrator* result = NULL; |
| 189 |
> |
CreatorMapType::iterator i = creatorMap_.find(id); |
| 190 |
> |
if (i != creatorMap_.end()) { |
| 191 |
> |
result = (i->second)->create(info); |
| 192 |
> |
} |
| 193 |
> |
return result; |
| 194 |
> |
} |
| 195 |
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|
| 196 |
< |
private: |
| 197 |
< |
CreatorMapType creatorMap_; |
| 196 |
> |
private: |
| 197 |
> |
CreatorMapType creatorMap_; |
| 198 |
|
}; |
| 189 |
– |
|
| 199 |
|
\end{lstlisting} |
| 200 |
+ |
\begin{lstlisting}[float,caption={[The implementation of Factory pattern (III)]Souce code of creator classes.},label={appendixScheme:integratorCreator}] |
| 201 |
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|
| 192 |
– |
\begin{lstlisting}[float,caption={[The implementation of Factory pattern (II)].},label={appendixScheme:factoryDeclarationImplementation}] |
| 193 |
– |
|
| 194 |
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bool IntegratorFactory::unregisterIntegrator(const string& id) { |
| 195 |
– |
return creatorMap_.erase(id) == 1; |
| 196 |
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} |
| 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 |
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return NULL; |
| 205 |
– |
} |
| 206 |
– |
} |
| 207 |
– |
|
| 208 |
– |
\end{lstlisting} |
| 209 |
– |
|
| 210 |
– |
\begin{lstlisting}[float,caption={[The implementation of Factory pattern (III)].},label={appendixScheme:integratorCreator}] |
| 211 |
– |
|
| 202 |
|
class IntegratorCreator { |
| 203 |
< |
public: |
| 203 |
> |
public: |
| 204 |
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IntegratorCreator(const string& ident) : ident_(ident) {} |
| 205 |
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|
| 206 |
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const string& getIdent() const { return ident_; } |
| 207 |
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|
| 208 |
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virtual Integrator* create(SimInfo* info) const = 0; |
| 209 |
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|
| 210 |
< |
private: |
| 210 |
> |
private: |
| 211 |
|
string ident_; |
| 212 |
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}; |
| 213 |
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|
| 214 |
< |
template<class ConcreteIntegrator> |
| 215 |
< |
class IntegratorBuilder : public IntegratorCreator { |
| 216 |
< |
public: |
| 217 |
< |
IntegratorBuilder(const string& ident) : IntegratorCreator(ident) {} |
| 218 |
< |
virtual Integrator* create(SimInfo* info) const { |
| 219 |
< |
return new ConcreteIntegrator(info); |
| 220 |
< |
} |
| 214 |
> |
template<class ConcreteIntegrator> class IntegratorBuilder : public |
| 215 |
> |
IntegratorCreator { |
| 216 |
> |
public: |
| 217 |
> |
IntegratorBuilder(const string& ident) |
| 218 |
> |
: IntegratorCreator(ident) {} |
| 219 |
> |
virtual Integrator* create(SimInfo* info) const { |
| 220 |
> |
return new ConcreteIntegrator(info); |
| 221 |
> |
} |
| 222 |
|
}; |
| 223 |
|
\end{lstlisting} |
| 224 |
|
|
| 244 |
|
\begin{lstlisting}[float,caption={[The implementation of Visitor pattern (I)]Source code of the visitor classes.},label={appendixScheme:visitor}] |
| 245 |
|
|
| 246 |
|
class BaseVisitor{ |
| 247 |
< |
public: |
| 248 |
< |
virtual void visit(Atom* atom); |
| 249 |
< |
virtual void visit(DirectionalAtom* datom); |
| 250 |
< |
virtual void visit(RigidBody* rb); |
| 247 |
> |
public: |
| 248 |
> |
virtual void visit(Atom* atom); |
| 249 |
> |
virtual void visit(DirectionalAtom* datom); |
| 250 |
> |
virtual void visit(RigidBody* rb); |
| 251 |
|
}; |
| 252 |
|
|
| 253 |
|
\end{lstlisting} |
| 255 |
|
\begin{lstlisting}[float,caption={[The implementation of Visitor pattern (II)]Source code of the element classes.},label={appendixScheme:element}] |
| 256 |
|
|
| 257 |
|
class StuntDouble { |
| 258 |
< |
public: |
| 259 |
< |
virtual void accept(BaseVisitor* v) = 0; |
| 258 |
> |
public: |
| 259 |
> |
virtual void accept(BaseVisitor* v) = 0; |
| 260 |
|
}; |
| 261 |
|
|
| 262 |
|
class Atom: public StuntDouble { |
| 263 |
< |
public: |
| 264 |
< |
virtual void accept{BaseVisitor* v*} { |
| 265 |
< |
v->visit(this); |
| 266 |
< |
} |
| 263 |
> |
public: |
| 264 |
> |
virtual void accept{BaseVisitor* v*} { |
| 265 |
> |
v->visit(this); |
| 266 |
> |
} |
| 267 |
|
}; |
| 268 |
|
|
| 269 |
|
class DirectionalAtom: public Atom { |
| 270 |
< |
public: |
| 271 |
< |
virtual void accept{BaseVisitor* v*} { |
| 272 |
< |
v->visit(this); |
| 273 |
< |
} |
| 270 |
> |
public: |
| 271 |
> |
virtual void accept{BaseVisitor* v*} { |
| 272 |
> |
v->visit(this); |
| 273 |
> |
} |
| 274 |
|
}; |
| 275 |
|
|
| 276 |
|
class RigidBody: public StuntDouble { |
| 277 |
< |
public: |
| 278 |
< |
virtual void accept{BaseVisitor* v*} { |
| 279 |
< |
v->visit(this); |
| 280 |
< |
} |
| 277 |
> |
public: |
| 278 |
> |
virtual void accept{BaseVisitor* v*} { |
| 279 |
> |
v->visit(this); |
| 280 |
> |
} |
| 281 |
|
}; |
| 282 |
|
|
| 283 |
|
\end{lstlisting} |
| 284 |
+ |
|
| 285 |
|
\section{\label{appendixSection:concepts}Concepts} |
| 286 |
|
|
| 295 |
– |
\begin{figure} |
| 296 |
– |
\centering |
| 297 |
– |
\includegraphics[width=\linewidth]{heirarchy.eps} |
| 298 |
– |
\caption[Class heirarchy for StuntDoubles in {\sc OOPSE}]{ The class |
| 299 |
– |
heirarchy of StuntDoubles in {\sc OOPSE}.} |
| 300 |
– |
\label{oopseFig:heirarchy} |
| 301 |
– |
\end{figure} |
| 302 |
– |
|
| 287 |
|
OOPSE manipulates both traditional atoms as well as some objects |
| 288 |
|
that {\it behave like atoms}. These objects can be rigid |
| 289 |
|
collections of atoms or atoms which have orientational degrees of |
| 290 |
|
freedom. A diagram of the class heirarchy is illustrated in |
| 291 |
< |
Fig.~\ref{oopseFig:heirarchy}. |
| 292 |
< |
|
| 293 |
< |
|
| 291 |
> |
Fig.~\ref{oopseFig:heirarchy}. Every Molecule, Atom and |
| 292 |
> |
DirectionalAtom in {\sc OOPSE} have their own names which are |
| 293 |
> |
specified in the {\tt .md} file. In contrast, RigidBodies are |
| 294 |
> |
denoted by their membership and index inside a particular molecule: |
| 295 |
> |
[MoleculeName]\_RB\_[index] (the contents inside the brackets depend |
| 296 |
> |
on the specifics of the simulation). The names of rigid bodies are |
| 297 |
> |
generated automatically. For example, the name of the first rigid |
| 298 |
> |
body in a DMPC molecule is DMPC\_RB\_0. |
| 299 |
> |
\begin{figure} |
| 300 |
> |
\centering |
| 301 |
> |
\includegraphics[width=\linewidth]{heirarchy.eps} |
| 302 |
> |
\caption[Class heirarchy for ojects in {\sc OOPSE}]{ A diagram of |
| 303 |
> |
the class heirarchy. |
| 304 |
|
\begin{itemize} |
| 305 |
|
\item A {\bf StuntDouble} is {\it any} object that can be manipulated by the |
| 306 |
|
integrators and minimizers. |
| 309 |
|
\item A {\bf RigidBody} is a collection of {\bf Atom}s or {\bf |
| 310 |
|
DirectionalAtom}s which behaves as a single unit. |
| 311 |
|
\end{itemize} |
| 312 |
< |
|
| 313 |
< |
Every Molecule, Atom and DirectionalAtom in {\sc OOPSE} have their |
| 320 |
< |
own names which are specified in the {\tt .md} file. In contrast, |
| 321 |
< |
RigidBodies are denoted by their membership and index inside a |
| 322 |
< |
particular molecule: [MoleculeName]\_RB\_[index] (the contents |
| 323 |
< |
inside the brackets depend on the specifics of the simulation). The |
| 324 |
< |
names of rigid bodies are generated automatically. For example, the |
| 325 |
< |
name of the first rigid body in a DMPC molecule is DMPC\_RB\_0. |
| 312 |
> |
} \label{oopseFig:heirarchy} |
| 313 |
> |
\end{figure} |
| 314 |
|
|
| 315 |
|
\section{\label{appendixSection:syntax}Syntax of the Select Command} |
| 316 |
|
|