RDKit::v2::FileParsers::SmilesMolSupplierParams Struct Reference

#include <MolSupplier.h>

Public Attributes
std::string	delimiter = " \t"
int	smilesColumn = 0
int	nameColumn = 1
bool	titleLine = true
v2::SmilesParse::SmilesParserParams	parseParameters

Detailed Description

Definition at line 229 of file MolSupplier.h.

Member Data Documentation

delimiter

std::string RDKit::v2::FileParsers::SmilesMolSupplierParams::delimiter = " \t"

Definition at line 230 of file MolSupplier.h.

Referenced by RDKit::GeneralMolSupplier::getSupplier(), RDKit::v1::SmilesMolSupplier::setData(), RDKit::v1::SmilesMolSupplier::SmilesMolSupplier(), and RDKit::v1::SmilesMolSupplier::SmilesMolSupplier().

nameColumn

int RDKit::v2::FileParsers::SmilesMolSupplierParams::nameColumn = 1

Definition at line 232 of file MolSupplier.h.

Referenced by RDKit::v1::SmilesMolSupplier::setData(), RDKit::v1::SmilesMolSupplier::SmilesMolSupplier(), and RDKit::v1::SmilesMolSupplier::SmilesMolSupplier().

parseParameters

v2::SmilesParse::SmilesParserParams RDKit::v2::FileParsers::SmilesMolSupplierParams::parseParameters

Initial value:

= {
      true,   
      false,  
      true,   
      false,  
      true,   
      false,  
      false,  
      {}      
  }

Definition at line 234 of file MolSupplier.h.

Referenced by RDKit::v1::SmilesMolSupplier::setData(), RDKit::v1::SmilesMolSupplier::SmilesMolSupplier(), and RDKit::v1::SmilesMolSupplier::SmilesMolSupplier().

smilesColumn

int RDKit::v2::FileParsers::SmilesMolSupplierParams::smilesColumn = 0

Definition at line 231 of file MolSupplier.h.

Referenced by RDKit::v1::SmilesMolSupplier::setData(), RDKit::v1::SmilesMolSupplier::SmilesMolSupplier(), and RDKit::v1::SmilesMolSupplier::SmilesMolSupplier().

titleLine

bool RDKit::v2::FileParsers::SmilesMolSupplierParams::titleLine = true

Definition at line 233 of file MolSupplier.h.

Referenced by RDKit::v1::SmilesMolSupplier::setData(), RDKit::v1::SmilesMolSupplier::SmilesMolSupplier(), and RDKit::v1::SmilesMolSupplier::SmilesMolSupplier().

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

• MolSupplier.h