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typedef Molecule_T | MoleculeType |
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typedef Molecule_T::AtomType | AtomType |
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◆ BondTemplate() [1/2]
Creates a new, invalid bond object.
◆ BondTemplate() [2/2]
Creates a bond object representing a bond at index i
in molecule m
.
◆ operator==()
bool operator== |
( |
const BondTemplate< MoleculeType > & |
other | ) |
const |
- Returns
- True if this and other share the same index and molecule.
◆ operator!=()
bool operator!= |
( |
const BondTemplate< MoleculeType > & |
other | ) |
const |
- Returns
- True if this and other do not share the same index or molecule.
◆ operator++() [1/2]
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]
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]
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]
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()
- Returns
- True if the molecule is set and the index is less than the number of bonds.
◆ molecule()
- Returns
- The molecule that contains this Bond.
◆ index()
◆ atom1()
◆ atom2()
◆ getOtherAtom() [1/2]
- Returns
- The atom in the bond such that returned.index() != index.
◆ getOtherAtom() [2/2]
AtomType getOtherAtom |
( |
AtomType |
atom | ) |
const |
- Returns
- The atom in the bond such that returned.index() != atom.index().
◆ setOrder()
void setOrder |
( |
unsigned char |
o | ) |
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The bond's order (single = 1, double = 2, etc.)
◆ order()
The bond's order (single = 1, double = 2, etc.)
The documentation for this class was generated from the following file: