08.29.2004 - 10:59 pm

My brain does not function the way C++ wants it to. This is what I've got so far.

Listening: Low

// Declaration of Atom class

//save as atom.h

#ifndef ATOM_H

#define ATOM_H

class Atom {

public:

Atom(); //constructor

void closestGridPoint();

private:

//Type of atom

...will determine constants for density function when called?

//Position of atom

int xdist;

int ydist;

int zdist;

};

#endif

__________________________________

//Member function definitions for Atom class

//save as atom.cpp

#include "atom.h"

void Atom::closestGridPoint( ? )

{

int a;

for ( each atom a - have to get from pdb file.... ) {

//get i, j, k indeces of closest grid point

i = xdist / dx;

j = ydist / dy;

k = zdist / dz;

}

__________________________________

//Program that goes through atoms and picks the grid points that will have density added to them

//save as

#include

#include "atom.h"

int main()

{

Atom a; //instantiate object a (atom) in class atom

//find closest grid point

a.closestGridPoint():

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