RDKit
Open-source cheminformatics and machine learning.
Loading...
Searching...
No Matches
RDKit::MolStandardize::FragmentRemover Class Reference

#include <Fragment.h>

Public Member Functions

 FragmentRemover ()
 
 FragmentRemover (const std::string fragmentFile, bool leave_last, bool skip_if_all_match=false)
 
 FragmentRemover (std::istream &fragmentStream, bool leave_last, bool skip_if_all_match=false)
 
 FragmentRemover (const std::vector< std::pair< std::string, std::string > > &data, bool leave_last, bool skip_if_all_match=false)
 
 ~FragmentRemover ()
 
 FragmentRemover (const FragmentRemover &other)=delete
 making FragmentRemover objects non-copyable
 
FragmentRemoveroperator= (FragmentRemover const &)=delete
 
ROMolremove (const ROMol &mol)
 
void removeInPlace (RWMol &mol)
 

Detailed Description

Definition at line 31 of file Fragment.h.

Constructor & Destructor Documentation

◆ FragmentRemover() [1/5]

RDKit::MolStandardize::FragmentRemover::FragmentRemover ( )

◆ FragmentRemover() [2/5]

RDKit::MolStandardize::FragmentRemover::FragmentRemover ( const std::string  fragmentFile,
bool  leave_last,
bool  skip_if_all_match = false 
)

◆ FragmentRemover() [3/5]

RDKit::MolStandardize::FragmentRemover::FragmentRemover ( std::istream &  fragmentStream,
bool  leave_last,
bool  skip_if_all_match = false 
)

◆ FragmentRemover() [4/5]

RDKit::MolStandardize::FragmentRemover::FragmentRemover ( const std::vector< std::pair< std::string, std::string > > &  data,
bool  leave_last,
bool  skip_if_all_match = false 
)

◆ ~FragmentRemover()

RDKit::MolStandardize::FragmentRemover::~FragmentRemover ( )

◆ FragmentRemover() [5/5]

RDKit::MolStandardize::FragmentRemover::FragmentRemover ( const FragmentRemover other)
delete

making FragmentRemover objects non-copyable

Member Function Documentation

◆ operator=()

FragmentRemover & RDKit::MolStandardize::FragmentRemover::operator= ( FragmentRemover const )
delete

◆ remove()

ROMol * RDKit::MolStandardize::FragmentRemover::remove ( const ROMol mol)

◆ removeInPlace()

void RDKit::MolStandardize::FragmentRemover::removeInPlace ( RWMol mol)

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