RDKit
Open-source cheminformatics and machine learning.
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RDKit::MolStandardize::LargestFragmentChooser Class Reference

#include <Fragment.h>

Classes

struct  Largest
 

Public Member Functions

 LargestFragmentChooser (bool preferOrganic=false)
 
 LargestFragmentChooser (const CleanupParameters &params)
 
 LargestFragmentChooser (const LargestFragmentChooser &other)
 
 ~LargestFragmentChooser ()=default
 
ROMolchoose (const ROMol &mol) const
 
void chooseInPlace (RWMol &mol) const
 

Detailed Description

Definition at line 74 of file Fragment.h.

Constructor & Destructor Documentation

◆ LargestFragmentChooser() [1/3]

RDKit::MolStandardize::LargestFragmentChooser::LargestFragmentChooser ( bool  preferOrganic = false)
inline

Definition at line 77 of file Fragment.h.

◆ LargestFragmentChooser() [2/3]

RDKit::MolStandardize::LargestFragmentChooser::LargestFragmentChooser ( const CleanupParameters params)
inline

Definition at line 79 of file Fragment.h.

◆ LargestFragmentChooser() [3/3]

RDKit::MolStandardize::LargestFragmentChooser::LargestFragmentChooser ( const LargestFragmentChooser other)

◆ ~LargestFragmentChooser()

RDKit::MolStandardize::LargestFragmentChooser::~LargestFragmentChooser ( )
default

Member Function Documentation

◆ choose()

ROMol * RDKit::MolStandardize::LargestFragmentChooser::choose ( const ROMol mol) const

◆ chooseInPlace()

void RDKit::MolStandardize::LargestFragmentChooser::chooseInPlace ( RWMol mol) const

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