#include <coarse_grain.h>
Public Types | |
typedef std::vector< Coarse_atom_ > | Coarse_atom_container |
typedef Coarse_atom_ | Coarse_atom |
typedef Residue::Atom | Atom |
typedef internal::Atoms_iterator_from_residue < Self, true > | Atoms_const_iterator |
typedef internal::Atoms_iterator_from_residue < Self, false > | Atoms_iterator |
typedef std::vector < Coarse_atom_ > ::const_iterator | Coarse_atom_const_iterator |
typedef std::vector < Coarse_atom_ >::iterator | Coarse_atom_iterator |
Public Member Functions | |
template<class Line_format > | |
Coarse_residue (const Line_format &line_format, const std::string &line, const Chain &ch) | |
Coarse_residue (const std::string &resname, int index, char insc, const Chain &ch) | |
template<class Coarse_creator > | |
int | create_coarse_atoms (const Coarse_creator &creator) |
void | add_coarse_atom (const typename Residue::Atom::Point_3 &pt, unsigned i=0) |
const Coarse_atom | get_coarse_atom (unsigned i) const |
Atoms_iterator | atoms_begin () |
Atoms_iterator | atoms_end () |
Atoms_const_iterator | atoms_begin () const |
Atoms_const_iterator | atoms_end () const |
Coarse_atom_const_iterator | coarse_atoms_begin () const |
Coarse_atom_const_iterator | coarse_atoms_end () const |
Coarse_atom_iterator | coarse_atoms_begin () |
Coarse_atom_iterator | coarse_atoms_end () |
Static Public Member Functions | |
static const Coarse_atom & | dereference (Coarse_atom_const_iterator it) |
static Coarse_atom & | dereference (Coarse_atom_iterator it) |
A coarse-grain residue type
Residue | is a base residue class. |
Chain | is a chain type. |
Coarse_atom_ | is the Coarse-grain atom type used. |
typedef Residue::Atom ESBTL::Coarse_residue< Residue, Chain, Coarse_atom_ >::Atom |
typedef Coarse_atom_ ESBTL::Coarse_residue< Residue, Chain, Coarse_atom_ >::Coarse_atom |
typedef std::vector<Coarse_atom_> ESBTL::Coarse_residue< Residue, Chain, Coarse_atom_ >::Coarse_atom_container |
ESBTL::Coarse_residue< Residue, Chain, Coarse_atom_ >::Coarse_residue | ( | const Line_format & | line_format, |
const std::string & | line, | ||
const Chain & | ch | ||
) | [inline] |
ESBTL::Coarse_residue< Residue, Chain, Coarse_atom_ >::Coarse_residue | ( | const std::string & | resname, |
int | index, | ||
char | insc, | ||
const Chain & | ch | ||
) | [inline] |
void ESBTL::Coarse_residue< Residue, Chain, Coarse_atom_ >::add_coarse_atom | ( | const typename Residue::Atom::Point_3 & | pt, |
unsigned | i = 0 |
||
) | [inline] |
Method to insert a coarse grain atoms using a point.
pt | is the coordinates of the pseudo-atom to be added. |
i | is the index of the pseudo-atom (when a residue is modeled by several). |
int ESBTL::Coarse_residue< Residue, Chain, Coarse_atom_ >::create_coarse_atoms | ( | const Coarse_creator & | creator | ) | [inline] |
Method to insert the coarse grain atoms into that residue, using a coarse grain atom creator.
A | coarse grain atom creator model of the concept of Coarse grain creator. |
static const Coarse_atom& ESBTL::Coarse_residue< Residue, Chain, Coarse_atom_ >::dereference | ( | Coarse_atom_const_iterator | it | ) | [inline, static] |
static Coarse_atom& ESBTL::Coarse_residue< Residue, Chain, Coarse_atom_ >::dereference | ( | Coarse_atom_iterator | it | ) | [inline, static] |
const Coarse_atom ESBTL::Coarse_residue< Residue, Chain, Coarse_atom_ >::get_coarse_atom | ( | unsigned | i | ) | const [inline] |