RDKit
Open-source cheminformatics and machine learning.
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RDKit::GeneralMolSupplier::SupplierOptions Struct Reference

#include <GeneralFileReader.h>

Public Attributes

bool takeOwnership = true
 
bool sanitize = true
 
bool removeHs = true
 
bool strictParsing = true
 
std::string delimiter = "\t"
 
int smilesColumn = 0
 
int nameColumn = 1
 
bool titleLine = true
 
std::string nameRecord = ""
 
int confId2D = -1
 
int confId3D = 0
 
unsigned int numWriterThreads = 0
 

Detailed Description

Definition at line 27 of file GeneralFileReader.h.

Member Data Documentation

◆ confId2D

int RDKit::GeneralMolSupplier::SupplierOptions::confId2D = -1

Definition at line 39 of file GeneralFileReader.h.

◆ confId3D

int RDKit::GeneralMolSupplier::SupplierOptions::confId3D = 0

Definition at line 40 of file GeneralFileReader.h.

◆ delimiter

std::string RDKit::GeneralMolSupplier::SupplierOptions::delimiter = "\t"

Definition at line 33 of file GeneralFileReader.h.

◆ nameColumn

int RDKit::GeneralMolSupplier::SupplierOptions::nameColumn = 1

Definition at line 35 of file GeneralFileReader.h.

◆ nameRecord

std::string RDKit::GeneralMolSupplier::SupplierOptions::nameRecord = ""

Definition at line 38 of file GeneralFileReader.h.

◆ numWriterThreads

unsigned int RDKit::GeneralMolSupplier::SupplierOptions::numWriterThreads = 0

Definition at line 42 of file GeneralFileReader.h.

◆ removeHs

bool RDKit::GeneralMolSupplier::SupplierOptions::removeHs = true

Definition at line 30 of file GeneralFileReader.h.

◆ sanitize

bool RDKit::GeneralMolSupplier::SupplierOptions::sanitize = true

Definition at line 29 of file GeneralFileReader.h.

◆ smilesColumn

int RDKit::GeneralMolSupplier::SupplierOptions::smilesColumn = 0

Definition at line 34 of file GeneralFileReader.h.

◆ strictParsing

bool RDKit::GeneralMolSupplier::SupplierOptions::strictParsing = true

Definition at line 31 of file GeneralFileReader.h.

◆ takeOwnership

bool RDKit::GeneralMolSupplier::SupplierOptions::takeOwnership = true

Definition at line 28 of file GeneralFileReader.h.

◆ titleLine

bool RDKit::GeneralMolSupplier::SupplierOptions::titleLine = true

Definition at line 36 of file GeneralFileReader.h.


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