--- trunk/tengDissertation/Appendix.tex 2006/06/08 20:10:36 2828 +++ trunk/tengDissertation/Appendix.tex 2006/06/08 20:24:39 2829 @@ -290,23 +290,26 @@ class RigidBody: public StuntDouble { }; \end{lstlisting} -\section{\label{appendixSection:concepts}Concepts} -\begin{figure} -\centering -\includegraphics[width=\linewidth]{heirarchy.eps} -\caption[Class heirarchy for StuntDoubles in {\sc OOPSE}]{ The class -heirarchy of StuntDoubles in {\sc OOPSE}.} -\label{oopseFig:heirarchy} -\end{figure} +\section{\label{appendixSection:concepts}Concepts} OOPSE manipulates both traditional atoms as well as some objects that {\it behave like atoms}. These objects can be rigid collections of atoms or atoms which have orientational degrees of freedom. A diagram of the class heirarchy is illustrated in -Fig.~\ref{oopseFig:heirarchy}. - - +Fig.~\ref{oopseFig:heirarchy}. Every Molecule, Atom and +DirectionalAtom in {\sc OOPSE} have their own names which are +specified in the {\tt .md} file. In contrast, RigidBodies are +denoted by their membership and index inside a particular molecule: +[MoleculeName]\_RB\_[index] (the contents inside the brackets depend +on the specifics of the simulation). The names of rigid bodies are +generated automatically. For example, the name of the first rigid +body in a DMPC molecule is DMPC\_RB\_0. +\begin{figure} +\centering +\includegraphics[width=\linewidth]{heirarchy.eps} +\caption[Class heirarchy for StuntDoubles in {\sc OOPSE}]{ The class +heirarchy of StuntDoubles in {\sc OOPSE}. \begin{itemize} \item A {\bf StuntDouble} is {\it any} object that can be manipulated by the integrators and minimizers. @@ -315,14 +318,8 @@ DirectionalAtom}s which behaves as a single unit. \item A {\bf RigidBody} is a collection of {\bf Atom}s or {\bf DirectionalAtom}s which behaves as a single unit. \end{itemize} - -Every Molecule, Atom and DirectionalAtom in {\sc OOPSE} have their -own names which are specified in the {\tt .md} file. In contrast, -RigidBodies are denoted by their membership and index inside a -particular molecule: [MoleculeName]\_RB\_[index] (the contents -inside the brackets depend on the specifics of the simulation). The -names of rigid bodies are generated automatically. For example, the -name of the first rigid body in a DMPC molecule is DMPC\_RB\_0. +} \label{oopseFig:heirarchy} +\end{figure} \section{\label{appendixSection:syntax}Syntax of the Select Command}