Molassembler  3.0.0
Molecule graph and conformer library
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Scine::Molassembler::GraphInterface Struct Referenceabstract
Inheritance diagram for Scine::Molassembler::GraphInterface:

Public Member Functions

Modification
virtual AtomIndex addAtom (Utils::ElementType e, AtomIndex i, BondType type)=0
 
virtual BondIndex addBond (AtomIndex i, AtomIndex j, BondType type)=0
 
virtual void setElementType (AtomIndex i, Utils::ElementType type)=0
 
virtual bool setBondType (AtomIndex i, AtomIndex j, BondType type)=0
 
virtual void removeAtom (AtomIndex i)=0
 
virtual void removeBond (const BondIndex &bond)=0
 
Information
virtual bool adjacent (AtomIndex a, AtomIndex b) const =0
 
virtual boost::optional
< BondIndex
bond (AtomIndex a, AtomIndex b) const =0
 
virtual BondType bondType (const BondIndex &edge) const =0
 
virtual bool canRemove (AtomIndex a) const =0
 
virtual bool canRemove (const BondIndex &edge) const =0
 
virtual const Cyclescycles () const =0
 
virtual unsigned degree (AtomIndex a) const =0
 
virtual Utils::ElementType elementType (AtomIndex a) const =0
 
virtual AtomIndex V () const =0
 
virtual unsigned E () const =0
 

The documentation for this struct was generated from the following file: