BALL::ChainBuilder Class Reference

This class provides methods for analysis of the chains in a molecule. More...

#include <chainBuilder.h>

List of all members.

Public Member Functions
	ChainBuilder ()
	Default-Constructor.
	~ChainBuilder ()
	Destructor.
vector< vector< Atom * > >	buildChains (System &molecule_sys)
	Determines the the main chain and side chains of a structure diagram.
Static Public Member Functions
static bool	compareChains (const vector< Atom * > &x, const vector< Atom * > &y)
	comparator for sorting the chains by their length

---

Detailed Description

This class provides methods for analysis of the chains in a molecule.

---

Member Function Documentation

vector<vector<Atom*> > BALL::ChainBuilder::buildChains

(

System &

molecule_sys

)

Determines the the main chain and side chains of a structure diagram.

Parameters:

molecule_sys

the input System

Returns:

the chains sorted by their length

static bool BALL::ChainBuilder::compareChains	(	const vector< Atom * > &	x,
		const vector< Atom * > &	y
	)			[static]

comparator for sorting the chains by their length

Parameters:

	x	chain
	y	chain