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RDKit
Open-source cheminformatics and machine learning.
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#include <MolSupplier.h>
Public Attributes | |
| std::string | nameRecord = "" |
| int | confId2D = -1 |
| int | confId3D = -1 |
| v2::SmilesParse::SmilesParserParams | parseParameters |
Definition at line 323 of file MolSupplier.h.
| int RDKit::v2::FileParsers::TDTMolSupplierParams::confId2D = -1 |
Definition at line 325 of file MolSupplier.h.
Referenced by RDKit::v1::TDTMolSupplier::setData(), RDKit::v1::TDTMolSupplier::TDTMolSupplier(), and RDKit::v1::TDTMolSupplier::TDTMolSupplier().
| int RDKit::v2::FileParsers::TDTMolSupplierParams::confId3D = -1 |
Definition at line 326 of file MolSupplier.h.
Referenced by RDKit::v1::TDTMolSupplier::setData(), RDKit::v1::TDTMolSupplier::TDTMolSupplier(), and RDKit::v1::TDTMolSupplier::TDTMolSupplier().
| std::string RDKit::v2::FileParsers::TDTMolSupplierParams::nameRecord = "" |
Definition at line 324 of file MolSupplier.h.
Referenced by RDKit::v1::TDTMolSupplier::setData(), RDKit::v1::TDTMolSupplier::TDTMolSupplier(), and RDKit::v1::TDTMolSupplier::TDTMolSupplier().
| v2::SmilesParse::SmilesParserParams RDKit::v2::FileParsers::TDTMolSupplierParams::parseParameters |
Definition at line 327 of file MolSupplier.h.
Referenced by RDKit::v1::TDTMolSupplier::setData(), RDKit::v1::TDTMolSupplier::TDTMolSupplier(), and RDKit::v1::TDTMolSupplier::TDTMolSupplier().