MMFF94AromaticSSSRSubset.hpp File Reference

Definition of the class CDPL::ForceField::MMFF94AromaticSSSRSubset. More...

#include <vector>
#include <memory>
#include "CDPL/ForceField/APIPrefix.hpp"
#include "CDPL/Chem/FragmentList.hpp"
#include "CDPL/Chem/Fragment.hpp"
#include "CDPL/Util/BitSet.hpp"

Go to the source code of this file.

Classes
class	CDPL::ForceField::MMFF94AromaticSSSRSubset
	Implements the extraction of all rings in the SSSR of a molecular graph that are aromatic according to MMFF94 conventions. More...

Namespaces
	CDPL
	The namespace of the Chemical Data Processing Library.
	CDPL::Chem
	Contains classes and functions related to chemistry.
	CDPL::ForceField
	Contains classes and functions related to molecular force fields.

Detailed Description

Definition of the class CDPL::ForceField::MMFF94AromaticSSSRSubset.