RDKit
Open-source cheminformatics and machine learning.
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MolSupplier.h File Reference
#include <RDGeneral/export.h>
#include <RDGeneral/types.h>
#include <string>
#include <string_view>
#include <list>
#include <memory>
#include <vector>
#include <iostream>
#include <fstream>
#include <GraphMol/ROMol.h>
#include <RDGeneral/BadFileException.h>
#include "FileParsers.h"
#include <GraphMol/SmilesParse/SmilesParse.h>
#include "MolSupplier.v1API.h"

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Classes

class  RDKit::v2::FileParsers::MolSupplier
 
class  RDKit::v2::FileParsers::ForwardSDMolSupplier
 
class  RDKit::v2::FileParsers::SDMolSupplier
 
struct  RDKit::v2::FileParsers::SmilesMolSupplierParams
 
class  RDKit::v2::FileParsers::SmilesMolSupplier
 lazy file parser for Smiles tables More...
 
struct  RDKit::v2::FileParsers::TDTMolSupplierParams
 
class  RDKit::v2::FileParsers::TDTMolSupplier
 lazy file parser for TDT files More...
 
class  RDKit::v2::FileParsers::PDBMolSupplier
 Deprecated, will be removed in 2024.09 release. More...
 

Namespaces

namespace  RDKit
 Std stuff.
 
namespace  RDKit::v2
 
namespace  RDKit::v2::FileParsers
 

Functions

RDKIT_FILEPARSERS_EXPORT std::string RDKit::strip (const std::string &orig)