RDCode: Crippen.h File Reference

# Crippen.h File Reference

Use MolDescriptors.h in client code. More...

`#include <string>`
`#include <vector>`
`#include <boost/smart_ptr.hpp>`

Go to the source code of this file.

## Namespaces
namespace | RDKit
namespace | RDKit::Descriptors
## Classes
class | RDKit::Descriptors::CrippenParams
| a class used to store Crippen parameters More...
class | RDKit::Descriptors::CrippenParamCollection
| singleton class for retrieving Crippen parameters More...
## Functions
void | RDKit::Descriptors::getCrippenAtomContribs (const ROMol &mol, std::vector< double > &logpContribs, std::vector< double > &mrContribs, bool force=false)
void | RDKit::Descriptors::CalcCrippenDescriptors (const ROMol &mol, double &logp, double &mr, bool includeHs=true, bool force=false)
| generate Wildman-Crippen LogP and MR estimates for a molecule
## Variables
const std::string | RDKit::Descriptors::crippenVersion = "1.1.0"

## Detailed Description

Use MolDescriptors.h in client code.

Definition in file Crippen.h.