\section{Atom\-Registry  Class Reference}
\label{class_AtomRegistry}\index{AtomRegistry@{Atom\-Registry}}
{\tt \#include $<$atom\_\-registry.h$>$}

\subsection*{Static Public Methods}
\begin{CompactItemize}
\item 
int {\bf Set\-Type} ({\bf Atom} \&a, const {\bf Dyn\-String} \&in\_\-type, {\bf Dyn\-String} \&in\_\-label, int resum=-2)
\end{CompactItemize}
\subsection*{Static Public Attributes}
\begin{CompactItemize}
\item 
const char$\ast$ {\bf names} [num\_\-known\_\-atom\_\-species]
\begin{CompactList}\small\item\em names of the atom types.\item\end{CompactList}\item 
const double {\bf covalent\_\-distance} [num\_\-known\_\-atom\_\-species]
\begin{CompactList}\small\item\em min separation distance to covalently bonded atom.\item\end{CompactList}\item 
const double {\bf radius} [num\_\-known\_\-atom\_\-species]
\begin{CompactList}\small\item\em VDW radius.\item\end{CompactList}\end{CompactItemize}


\subsection{Member Function Documentation}
\index{AtomRegistry@{Atom\-Registry}!SetType@{SetType}}
\index{SetType@{SetType}!AtomRegistry@{Atom\-Registry}}
\subsubsection{\setlength{\rightskip}{0pt plus 5cm}int Atom\-Registry::Set\-Type ({\bf Atom} \& {\em a}, const {\bf Dyn\-String} \& {\em in\_\-type}, {\bf Dyn\-String} \& {\em in\_\-label}, int {\em resnum} = -2)\hspace{0.3cm}{\tt  [inline, static]}}\label{class_AtomRegistry_d0}




Definition at line 54 of file atom\_\-registry.h.

Referenced by Residue::Add\-Atom(), and Molecule::read\-Xmol().\footnotesize\begin{verbatim}00054                                                                                                   {
00055   for (int i = 0; i < num_known_atom_species; i++){
00056     if (in_type == names[i]){
00057       if (a.Type() == in_type) {return a.ID();}
00058       if (a.Type().Length() > 0) {cerr <<"|"<< a.Type() <<"|" <<in_type <<"|" << endl; WARN ("atom::SetType failed");}
00059       // a.type already set differently
00060       a.Type() = in_type;
00061       a.Label() = in_label;
00062       a.VDW() = radius[i];
00063       a.cov_dist() = covalent_distance[i];
00064       a.ResNum() = resnum;
00065       return a.ID();
00066     }
00067   }
00068 \end{verbatim}\normalsize 


\subsection{Member Data Documentation}
\index{AtomRegistry@{Atom\-Registry}!covalent_distance@{covalent\_\-distance}}
\index{covalent_distance@{covalent\_\-distance}!AtomRegistry@{Atom\-Registry}}
\subsubsection{\setlength{\rightskip}{0pt plus 5cm}const double Atom\-Registry::covalent\_\-distance[num\_\-known\_\-atom\_\-species]\hspace{0.3cm}{\tt  [static]}}\label{class_AtomRegistry_p1}


{\bf Initial value:}\footnotesize\begin{verbatim} {
  0.68, 0.51, 0.47, 0.91, 0.91
}\end{verbatim}\normalsize 
min separation distance to covalently bonded atom.



Definition at line 148 of file globals.C.\index{AtomRegistry@{Atom\-Registry}!names@{names}}
\index{names@{names}!AtomRegistry@{Atom\-Registry}}
\subsubsection{\setlength{\rightskip}{0pt plus 5cm}const char $\ast$ Atom\-Registry::names[num\_\-known\_\-atom\_\-species]\hspace{0.3cm}{\tt  [static]}}\label{class_AtomRegistry_p0}


{\bf Initial value:}\footnotesize\begin{verbatim} {
  "C","N","O","P","S"
} \end{verbatim}\normalsize 
names of the atom types.



Definition at line 139 of file globals.C.\index{AtomRegistry@{Atom\-Registry}!radius@{radius}}
\index{radius@{radius}!AtomRegistry@{Atom\-Registry}}
\subsubsection{\setlength{\rightskip}{0pt plus 5cm}const double Atom\-Registry::radius[num\_\-known\_\-atom\_\-species]\hspace{0.3cm}{\tt  [static]}}\label{class_AtomRegistry_p2}


{\bf Initial value:}\footnotesize\begin{verbatim} {
  1.18,1.1,1,1.25,1.31
}\end{verbatim}\normalsize 
VDW radius.



Definition at line 144 of file globals.C.

The documentation for this class was generated from the following files:\begin{CompactItemize}
\item 
{\bf atom\_\-registry.h}\item 
{\bf globals.C}\end{CompactItemize}
