PROFASI  Version 1.5
Public Member Functions | List of all members
prf::Atom Class Reference

Representation of an atom in PROFASI. More...

#include <Atom.hh>

Public Member Functions

Atomoperator= (const Atom &ga)
int UniqueId () const
 The unique integer id for the atom.
Vector3 Position () const
 Access position as a three vector.
AtomCoordinates Pos () const
 Access position as an AtomCoordinates object.
void Pos (const Vector3 &gpos)
 Assign a position to the atom.
AtomKind Species () const
 Return the type of atom, H, C, N...
const char * strName () const
 Returns its name as a C string.

Detailed Description

The Atom is a very simple class with one member defining which kind of atom it is, and another specifying its coordinates in space. The coordinates are represented by an AtomCoordinates object. For many purposes, it is sufficient to think of the position as an ordinary three vector. An atom has a so called "unique_id" which can be accessed through the function UniqueId().

Member Function Documentation

Atom & Atom::operator= ( const Atom ga)

Clones both type and position

The documentation for this class was generated from the following files:

PROFASI: Protein Folding and Aggregation Simulator, Version 1.5
© (2005-2016) Anders Irbäck and Sandipan Mohanty
Documentation generated on Mon Jul 18 2016 using Doxygen version 1.8.2