CDL descriptors | vertex degree

Vertex degree

Descriptor Category : topological
c++ entity: function

Description

Represent the number of sigma electrons of the atom. It is calculated on CDL's molecule simple with the member function connected_atoms().

Prototype

Is an overloaded function:

  degree_size_type
  connected_atoms(vertex_descriptor u) const;

  degree_size_type
  connected_atoms(const atom_iterator& ai);

  degree_size_type
  connected_atoms(const const_atom_iterator& ai) const;

Where defined

morpho/cdl/molecule/molecule.hpp

Namespace

morpho::cdl

Inherits from

Arguments

Argument	Model of
`u`	`vertex_descriptor`

For the first version.

Argument	Model of
`ai`	`atom_iterator`

For the second version, and:

Argument	Model of
`ai`	`const_atom_iterator`

For the third version.

Example

// suppose you're streaming a mol format from the stdin:
typedef molecule<>                M;
morpho::cdl::juice<M>             j;
morpho::cdl::get_juice_from_stream(std::cin, j, 0, sdf_formatT());
M   mol(j);
M::atom_iterator ai, ai_end;
for (tie(ai,ai_end)=mol.atoms(); ai!=ai_end; ++ai) {
  std::cout << mol.connected_atoms(ai) << '\n'; 
}