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Chemical Data Processing Library C++ API - Version 1.1.1
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29 #ifndef CDPL_CHEM_ATOMBONDMAPPING_HPP
30 #define CDPL_CHEM_ATOMBONDMAPPING_HPP
123 #endif // CDPL_CHEM_ATOMBONDMAPPING_HPP
bool operator==(const AtomBondMapping &mapping) const
Equality comparison operator.
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.
const AtomMapping & getAtomMapping() const
Returns a const reference to the Chem::AtomMapping data member storing the atom to atom mappings.
std::shared_ptr< AtomBondMapping > SharedPointer
A reference-counted smart pointer [SHPTR] for dynamically allocated AtomBondMapping instances.
Definition: AtomBondMapping.hpp:61
bool operator!=(const AtomBondMapping &mapping) const
Inequality comparison operator.
const BondMapping & getBondMapping() const
Returns a const reference to the Chem::BondMapping data member storing the bond to bond mappings.
A data type for the storage and lookup of arbitrary atom to atom mappings.
Definition: AtomMapping.hpp:54
A data type for the storage and lookup of arbitrary bond to bond mappings.
Definition: BondMapping.hpp:54
Definition of the type CDPL::Chem::BondMapping.
The namespace of the Chemical Data Processing Library.
A data structure for the common storage of related atom to atom and bond to bond mappings.
Definition: AtomBondMapping.hpp:55
Definition of the type CDPL::Chem::AtomMapping.
AtomMapping & getAtomMapping()
Returns a non-const reference to the Chem::AtomMapping data member storing the atom to atom mappings.
void clear()
Removes all atom to atom and bond to bond mappings.
BondMapping & getBondMapping()
Returns a non-const reference to the Chem::BondMapping data member storing the bond to bond mappings.