|
using | MoleculeType = Molecule_T |
using | AtomType = typename Molecule_T::AtomType |
◆ BondTemplate() [1/2]
template<class Molecule_T>
Creates a new, invalid bond object.
◆ BondTemplate() [2/2]
template<class Molecule_T>
Creates a bond object representing a bond at index i
in molecule m
.
◆ operator==()
template<class Molecule_T>
bool operator== |
( |
const BondTemplate< MoleculeType > & | other | ) |
const |
- Returns
- True if this and other share the same index and molecule.
◆ operator!=()
template<class Molecule_T>
bool operator!= |
( |
const BondTemplate< MoleculeType > & | other | ) |
const |
- Returns
- True if this and other do not share the same index or molecule.
◆ operator++() [1/2]
template<class Molecule_T>
Prefix increment operator. Increment this Bond's index by 1 and return a self-reference. Check isValid() before calling any other methods.
◆ operator++() [2/2]
template<class Molecule_T>
Postfix increment operator. Increment this Bond's index by 1 and return a copy of the current Atom. Check isValid() before calling any other methods.
◆ operator--() [1/2]
template<class Molecule_T>
Prefix decrement operator. Decrement this Bond's index by 1 and return a self-reference. Check isValid() before calling any other methods.
◆ operator--() [2/2]
template<class Molecule_T>
Postfix decrement operator. Decrement this Bond's index by 1 and return a copy of the current Atom. Check isValid() before calling any other methods.
◆ isValid()
template<class Molecule_T>
- Returns
- True if the molecule is set and the index is less than the number of bonds.
◆ molecule()
template<class Molecule_T>
BondTemplate< Molecule_T >::MoleculeType * molecule |
( |
| ) |
const |
- Returns
- The molecule that contains this Bond.
◆ index()
template<class Molecule_T>
◆ atom1()
template<class Molecule_T>
◆ atom2()
template<class Molecule_T>
◆ getOtherAtom() [1/2]
template<class Molecule_T>
BondTemplate< Molecule_T >::AtomType getOtherAtom |
( |
Index | index | ) |
const |
- Returns
- The atom in the bond such that returned.index() != index.
◆ getOtherAtom() [2/2]
template<class Molecule_T>
AtomType getOtherAtom |
( |
AtomType | atom | ) |
const |
- Returns
- The atom in the bond such that returned.index() != atom.index().
◆ setOrder()
template<class Molecule_T>
void setOrder |
( |
unsigned char | o | ) |
|
The bond's order (single = 1, double = 2, etc.)
◆ order()
template<class Molecule_T>
unsigned char order |
( |
| ) |
const |
The bond's order (single = 1, double = 2, etc.)
◆ length()
template<class Molecule_T>
The length of the bond or 0.0 if the bond is invalid.
◆ label()
template<class Molecule_T>
std::string label |
( |
| ) |
const |
A label for the bond (if any)
The documentation for this class was generated from the following file: