elements.cpp File Reference

#include <cstdio>
#include <string>
#include <map>

Functions
void	set_radii ()
	Function to set the atomic radii values in the STL map.
double	get_radius (char *element)
	Function to return the radius of an element.
Variables
bool	first = true
	Whether set_radii needs to be called.
map< string, double >	atomic_radii
	STL map containing atomic radii.

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Function Documentation

void set_radii (   )

Function to set the atomic radii values in the STL map. This function needs to be called only once and afterwards the atomic radii will be available for use in drawing molecules.

double get_radius (  char *  element  )

Function to return the radius of an element. On the first call it calls set_radii and afterwards simply gets the required value from the map. Parameters: element  The 1 or 2 character chemical symbol for an element.

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Variable Documentation

bool first = true [static]

Whether set_radii needs to be called.

map<string,double> atomic_radii

STL map containing atomic radii.

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