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

| RDKit Open-source cheminformatics and machine learning.

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Public Member Functions | Public Attributes | List of all members
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.

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

- Fragment.h