RDKit::MolStandardize::LargestFragmentChooser::Largest Struct Reference

#include <Fragment.h>

Public Member Functions
	Largest ()
	Largest (std::string &smiles, boost::shared_ptr< ROMol > fragment, unsigned int &numatoms, double &weight, bool &organic)

Public Attributes
std::string	Smiles
boost::shared_ptr< ROMol >	Fragment
unsigned int	NumAtoms {0}
double	Weight {0}
bool	Organic {false}

Detailed Description

Definition at line 88 of file Fragment.h.

Constructor & Destructor Documentation

Largest() [1/2]

RDKit::MolStandardize::LargestFragmentChooser::Largest::Largest

(

)

Largest() [2/2]

RDKit::MolStandardize::LargestFragmentChooser::Largest::Largest	(	std::string &	smiles,
		boost::shared_ptr< ROMol >	fragment,
		unsigned int &	numatoms,
		double &	weight,
		bool &	organic
	)

Member Data Documentation

Fragment

boost::shared_ptr<ROMol> RDKit::MolStandardize::LargestFragmentChooser::Largest::Fragment

Definition at line 93 of file Fragment.h.

NumAtoms

unsigned int RDKit::MolStandardize::LargestFragmentChooser::Largest::NumAtoms {0}

Definition at line 94 of file Fragment.h.

Organic

bool RDKit::MolStandardize::LargestFragmentChooser::Largest::Organic {false}

Definition at line 96 of file Fragment.h.

Smiles

std::string RDKit::MolStandardize::LargestFragmentChooser::Largest::Smiles

Definition at line 92 of file Fragment.h.

Weight

double RDKit::MolStandardize::LargestFragmentChooser::Largest::Weight {0}

Definition at line 95 of file Fragment.h.

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The documentation for this struct was generated from the following file:

• Fragment.h