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|
OOPSE}. |
119 |
|
|
120 |
|
\subsection{\label{appendixSection:singleton}Singleton} |
121 |
< |
The Singleton pattern ensures that only one instance of a class is |
122 |
< |
created. All objects that use an instance of that class use the same |
123 |
< |
instance. |
121 |
> |
The Singleton pattern not only provides a mechanism to restrict |
122 |
> |
instantiation of a class to one object, but also provides a global |
123 |
> |
point of access to the object. Currently implemented as a global |
124 |
> |
variable, the logging utility which reports error and warning |
125 |
> |
messages to the console in {\sc OOPSE} is a good candidate for |
126 |
> |
applying the Singleton pattern to avoid the global namespace |
127 |
> |
pollution.Although the singleton pattern can be implemented in |
128 |
> |
various ways to account for different aspects of the software |
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}] |
133 |
|
|
134 |
+ |
class IntegratorFactory { |
135 |
+ |
public: |
136 |
+ |
static IntegratorFactory* getInstance(); |
137 |
+ |
protected: |
138 |
+ |
IntegratorFactory(); |
139 |
+ |
private: |
140 |
+ |
static IntegratorFactory* instance_; |
141 |
+ |
}; |
142 |
+ |
\end{lstlisting} |
143 |
+ |
The corresponding implementation is |
144 |
+ |
\begin{lstlisting}[float,caption={[A classic Singleton design pattern implementation(II)] Implementation of {\tt IntegratorFactory} class.},label={appendixScheme:singletonImplementation}] |
145 |
+ |
|
146 |
+ |
IntegratorFactory::instance_ = NULL; |
147 |
+ |
|
148 |
+ |
IntegratorFactory* getInstance() { |
149 |
+ |
if (instance_ == NULL){ |
150 |
+ |
instance_ = new IntegratorFactory; |
151 |
+ |
} |
152 |
+ |
return instance_; |
153 |
+ |
} |
154 |
+ |
\end{lstlisting} |
155 |
+ |
Since constructor is declared as {\tt protected}, a client can not |
156 |
+ |
instantiate {\tt IntegratorFactory} directly. Moreover, since the |
157 |
+ |
member function {\tt getInstance} serves as the only entry of access |
158 |
+ |
to {\tt IntegratorFactory}, this approach fulfills the basic |
159 |
+ |
requirement, a single instance. Another consequence of this approach |
160 |
+ |
is the automatic destruction since static data are destroyed upon |
161 |
+ |
program termination. |
162 |
+ |
|
163 |
|
\subsection{\label{appendixSection:factoryMethod}Factory Method} |
164 |
< |
The Factory Method pattern is a creational pattern which deals with |
165 |
< |
the problem of creating objects without specifying the exact class |
166 |
< |
of object that will be created. Factory Method solves this problem |
167 |
< |
by defining a separate method for creating the objects, which |
168 |
< |
subclasses can then override to specify the derived type of product |
169 |
< |
that will be created. |
164 |
> |
|
165 |
> |
Categoried as a creational pattern, the Factory Method pattern deals |
166 |
> |
with the problem of creating objects without specifying the exact |
167 |
> |
class of object that will be created. Factory Method is typically |
168 |
> |
implemented by delegating the creation operation to the subclasses. |
169 |
> |
\begin{lstlisting}[float,caption={[].},label={appendixScheme:factoryDeclaration}] |
170 |
> |
class IntegratorCreator; |
171 |
> |
class IntegratorFactory { |
172 |
> |
public: |
173 |
> |
typedef std::map<std::string, IntegratorCreator*> CreatorMapType; |
174 |
> |
|
175 |
> |
/** |
176 |
> |
* Registers a creator with a type identifier |
177 |
> |
* @return true if registration is successful, otherwise return false |
178 |
> |
* @id the identification of the concrete object |
179 |
> |
* @creator the object responsible to create the concrete object |
180 |
> |
*/ |
181 |
> |
bool registerIntegrator(IntegratorCreator* creator); |
182 |
> |
|
183 |
> |
/** |
184 |
> |
* Looks up the type identifier in the internal map. If it is found, it invokes the |
185 |
> |
* corresponding creator for the type identifier and returns its result. |
186 |
> |
* @return a pointer of the concrete object, return NULL if no creator is registed for |
187 |
> |
* creating this concrete object |
188 |
> |
* @param id the identification of the concrete object |
189 |
> |
*/ |
190 |
> |
Integrator* createIntegrator(const std::string& id, SimInfo* info); |
191 |
> |
|
192 |
> |
private: |
193 |
> |
CreatorMapType creatorMap_; |
194 |
> |
}; |
195 |
> |
\end{lstlisting} |
196 |
> |
|
197 |
> |
\begin{lstlisting}[float,caption={[].},label={appendixScheme:factoryDeclarationImplementation}] |
198 |
> |
bool IntegratorFactory::unregisterIntegrator(const std::string& id) { |
199 |
> |
return creatorMap_.erase(id) == 1; |
200 |
> |
} |
201 |
|
|
202 |
+ |
Integrator* IntegratorFactory::createIntegrator(const std::string& id, SimInfo* info) { |
203 |
+ |
CreatorMapType::iterator i = creatorMap_.find(id); |
204 |
+ |
if (i != creatorMap_.end()) { |
205 |
+ |
//invoke functor to create object |
206 |
+ |
return (i->second)->create(info); |
207 |
+ |
} else { |
208 |
+ |
return NULL; |
209 |
+ |
} |
210 |
+ |
} |
211 |
+ |
\end{lstlisting} |
212 |
+ |
|
213 |
+ |
\begin{lstlisting}[float,caption={[].},label={appendixScheme:integratorCreator}] |
214 |
+ |
|
215 |
+ |
class IntegratorCreator { |
216 |
+ |
public: |
217 |
+ |
IntegratorCreator(const std::string& ident) : ident_(ident) {} |
218 |
+ |
virtual ~IntegratorCreator() {} |
219 |
+ |
const std::string& getIdent() const { return ident_; } |
220 |
+ |
|
221 |
+ |
virtual Integrator* create(SimInfo* info) const = 0; |
222 |
+ |
|
223 |
+ |
private: |
224 |
+ |
std::string ident_; |
225 |
+ |
}; |
226 |
+ |
|
227 |
+ |
template<class ConcreteIntegrator> |
228 |
+ |
class IntegratorBuilder : public IntegratorCreator { |
229 |
+ |
public: |
230 |
+ |
IntegratorBuilder(const std::string& ident) : IntegratorCreator(ident) {} |
231 |
+ |
virtual Integrator* create(SimInfo* info) const {return new ConcreteIntegrator(info);} |
232 |
+ |
}; |
233 |
+ |
\end{lstlisting} |
234 |
+ |
|
235 |
|
\subsection{\label{appendixSection:visitorPattern}Visitor} |
236 |
+ |
|
237 |
|
The purpose of the Visitor Pattern is to encapsulate an operation |
238 |
|
that you want to perform on the elements of a data structure. In |
239 |
|
this way, you can change the operation being performed on a |
240 |
< |
structure without the need of changing the classes of the elements |
241 |
< |
that you are operating on. |
240 |
> |
structure without the need of changing the class heirarchy of the |
241 |
> |
elements that you are operating on. |
242 |
|
|
243 |
+ |
\begin{lstlisting}[float,caption={[].},label={appendixScheme:visitor}] |
244 |
+ |
class BaseVisitor{ |
245 |
+ |
public: |
246 |
+ |
virtual void visit(Atom* atom); |
247 |
+ |
virtual void visit(DirectionalAtom* datom); |
248 |
+ |
virtual void visit(RigidBody* rb); |
249 |
+ |
}; |
250 |
+ |
\end{lstlisting} |
251 |
+ |
\begin{lstlisting}[float,caption={[].},label={appendixScheme:element}] |
252 |
+ |
class StuntDouble { |
253 |
+ |
public: |
254 |
+ |
virtual void accept(BaseVisitor* v) = 0; |
255 |
+ |
}; |
256 |
+ |
|
257 |
+ |
class Atom: public StuntDouble { |
258 |
+ |
public: |
259 |
+ |
virtual void accept{BaseVisitor* v*} {v->visit(this);} |
260 |
+ |
}; |
261 |
+ |
|
262 |
+ |
class DirectionalAtom: public Atom { |
263 |
+ |
public: |
264 |
+ |
virtual void accept{BaseVisitor* v*} {v->visit(this);} |
265 |
+ |
}; |
266 |
+ |
|
267 |
+ |
class RigidBody: public StuntDouble { |
268 |
+ |
public: |
269 |
+ |
virtual void accept{BaseVisitor* v*} {v->visit(this);} |
270 |
+ |
}; |
271 |
+ |
|
272 |
+ |
\end{lstlisting} |
273 |
|
\section{\label{appendixSection:concepts}Concepts} |
274 |
|
|
275 |
|
OOPSE manipulates both traditional atoms as well as some objects |
635 |
|
|
636 |
|
\subsection{\label{appendixSection:Dump2XYZ}Dump2XYZ} |
637 |
|
|
638 |
< |
Dump2XYZ can transform an OOPSE dump file into a xyz file which can |
639 |
< |
be opened by other molecular dynamics viewers such as Jmol and |
640 |
< |
VMD\cite{Humphrey1996}. The options available for Dump2XYZ are as |
641 |
< |
follows: |
638 |
> |
{\tt Dump2XYZ} can transform an OOPSE dump file into a xyz file |
639 |
> |
which can be opened by other molecular dynamics viewers such as Jmol |
640 |
> |
and VMD\cite{Humphrey1996}. The options available for Dump2XYZ are |
641 |
> |
as follows: |
642 |
|
|
643 |
|
|
644 |
|
\begin{longtable}[c]{|EFG|} |
669 |
|
\end{longtable} |
670 |
|
|
671 |
|
\subsection{\label{appendixSection:hydrodynamics}Hydro} |
672 |
< |
The options available for Hydro are as follows: |
672 |
> |
|
673 |
> |
{\tt Hydro} can calculate resistance and diffusion tensors at the |
674 |
> |
center of resistance. Both tensors at the center of diffusion can |
675 |
> |
also be reported from the program, as well as the coordinates for |
676 |
> |
the beads which are used to approximate the arbitrary shapes. The |
677 |
> |
options available for Hydro are as follows: |
678 |
|
\begin{longtable}[c]{|EFG|} |
679 |
|
\caption{Hydrodynamics Command-line Options} |
680 |
|
\\ \hline |