Chemical Data Processing Library C++ API - Version 1.1.1
|
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) |
Declaration of functions that operate on Chem::Molecule instances.