RDKit: RDKit::MolHolder Class Reference

| RDKit Open-source cheminformatics and machine learning.

- Main Page
- Namespaces
- Classes
- Files

- Class List
- Class Hierarchy
- Class Members

Public Member Functions | List of all members
RDKit::MolHolder Class Reference

Concrete class that holds molecules in memory. More...

`#include <SubstructLibrary.h>`

Inheritance diagram for RDKit::MolHolder:

## Public Member Functions
| MolHolder ()
virtual unsigned int | addMol (const ROMol &m)
virtual boost::shared_ptr< ROMol > | getMol (unsigned int idx) const
virtual unsigned int | size () const
| Get the current library size. More...
Public Member Functions inherited from RDKit::MolHolderBase
virtual | ~MolHolderBase ()

## Detailed Description

Concrete class that holds molecules in memory.

This is currently one of the faster implementations. However it is very memory intensive.

Definition at line 70 of file SubstructLibrary.h.

## Constructor & Destructor Documentation

RDKit::MolHolder::MolHolder | ( |  | ) |
| inline

Definition at line 74 of file SubstructLibrary.h.

## Member Function Documentation

virtual unsigned int RDKit::MolHolder::addMol | ( | const ROMol & | m | ) |
| inlinevirtual

Add a new molecule to the substructure search library Returns the molecules index in the library

Implements RDKit::MolHolderBase.

Definition at line 76 of file SubstructLibrary.h.

References RDKit::MolHolderBase::size().

virtual boost::shared_ptr<ROMol> RDKit::MolHolder::getMol | ( | unsigned int | idx | ) | const
| inlinevirtual

Implements RDKit::MolHolderBase.

Definition at line 81 of file SubstructLibrary.h.

virtual unsigned int RDKit::MolHolder::size | ( |  | ) | const
| inlinevirtual

Get the current library size.

Implements RDKit::MolHolderBase.

Definition at line 87 of file SubstructLibrary.h.

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

- SubstructLibrary.h