RDKit
Open-source cheminformatics and machine learning.
MolSupplier.h File Reference
#include <RDGeneral/types.h>
#include <string>
#include <list>
#include <vector>
#include <iostream>
#include <GraphMol/ROMol.h>

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Classes

class  RDKit::MolSupplier
class  RDKit::ForwardSDMolSupplier
class  RDKit::SDMolSupplier
class  RDKit::SmilesMolSupplier
 lazy file parser for Smiles tables More...
class  RDKit::TDTMolSupplier
 lazy file parser for TDT files More...
class  RDKit::PDBMolSupplier
 lazy file parser for PDB files More...

Namespaces

namespace  RDKit
 

Includes a bunch of functionality for handling Atom and Bond queries.


Functions

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