29 #ifndef CDPL_CHEM_RECAPFRAGMENTGENERATOR_HPP
30 #define CDPL_CHEM_RECAPFRAGMENTGENERATOR_HPP
Definition of the preprocessor macro CDPL_CHEM_API.
#define CDPL_CHEM_API
Tells the compiler/linker which classes, functions and variables are part of the library API.
Definition of class CDPL::Chem::FragmentGenerator.
Generic rule-based molecule fragmentation engine that splits a molecular graph along bonds matching u...
Definition: FragmentGenerator.hpp:62
Chem::FragmentGenerator implementation applying the RECAP [RECAP] cleavage rules (see Chem::RECAPRule...
Definition: RECAPFragmentGenerator.hpp:49
std::shared_ptr< RECAPFragmentGenerator > SharedPointer
A reference-counted smart pointer [SHPTR] for dynamically allocated RECAPFragmentGenerator instances.
Definition: RECAPFragmentGenerator.hpp:53
RECAPFragmentGenerator()
Constructs the RECAPFragmentGenerator instance and registers the built-in RECAP cleavage rules.
The namespace of the Chemical Data Processing Library.