Chemical Data Processing Library C++ API - Version 1.1.1
Namespaces | Functions
ConfGen/MoleculeFunctions.hpp File Reference

Declaration of functions that operate on Chem::Molecule instances. More...

#include "CDPL/ConfGen/APIPrefix.hpp"

Go to the source code of this file.

Namespaces

 CDPL
 The namespace of the Chemical Data Processing Library.
 
 CDPL::Chem
 Contains classes and functions related to chemistry.
 
 CDPL::ConfGen
 Contains classes and functions related to conformer ensemble generation.
 

Functions

CDPL_CONFGEN_API void CDPL::ConfGen::prepareForConformerGeneration (Chem::Molecule &mol, bool canonicalize=false)
 

Detailed Description

Declaration of functions that operate on Chem::Molecule instances.