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 Cycles & | cycles () 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 |