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RDKit
Open-source cheminformatics and machine learning.
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#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 |
Definition at line 27 of file GeneralFileReader.h.
int RDKit::GeneralMolSupplier::SupplierOptions::confId2D = -1 |
Definition at line 39 of file GeneralFileReader.h.
Referenced by RDKit::GeneralMolSupplier::getSupplier().
int RDKit::GeneralMolSupplier::SupplierOptions::confId3D = 0 |
Definition at line 40 of file GeneralFileReader.h.
Referenced by RDKit::GeneralMolSupplier::getSupplier().
std::string RDKit::GeneralMolSupplier::SupplierOptions::delimiter = "\t" |
Definition at line 33 of file GeneralFileReader.h.
Referenced by RDKit::GeneralMolSupplier::getSupplier().
int RDKit::GeneralMolSupplier::SupplierOptions::nameColumn = 1 |
Definition at line 35 of file GeneralFileReader.h.
Referenced by RDKit::GeneralMolSupplier::getSupplier().
std::string RDKit::GeneralMolSupplier::SupplierOptions::nameRecord = "" |
Definition at line 38 of file GeneralFileReader.h.
Referenced by RDKit::GeneralMolSupplier::getSupplier().
unsigned int RDKit::GeneralMolSupplier::SupplierOptions::numWriterThreads = 0 |
Definition at line 42 of file GeneralFileReader.h.
Referenced by RDKit::GeneralMolSupplier::getSupplier().
bool RDKit::GeneralMolSupplier::SupplierOptions::removeHs = true |
Definition at line 30 of file GeneralFileReader.h.
Referenced by RDKit::GeneralMolSupplier::getSupplier().
bool RDKit::GeneralMolSupplier::SupplierOptions::sanitize = true |
Definition at line 29 of file GeneralFileReader.h.
Referenced by RDKit::GeneralMolSupplier::getSupplier().
int RDKit::GeneralMolSupplier::SupplierOptions::smilesColumn = 0 |
Definition at line 34 of file GeneralFileReader.h.
Referenced by RDKit::GeneralMolSupplier::getSupplier().
bool RDKit::GeneralMolSupplier::SupplierOptions::strictParsing = true |
Definition at line 31 of file GeneralFileReader.h.
Referenced by RDKit::GeneralMolSupplier::getSupplier().
bool RDKit::GeneralMolSupplier::SupplierOptions::takeOwnership = true |
Definition at line 28 of file GeneralFileReader.h.
bool RDKit::GeneralMolSupplier::SupplierOptions::titleLine = true |
Definition at line 36 of file GeneralFileReader.h.
Referenced by RDKit::GeneralMolSupplier::getSupplier().