#include <residue.hpp>
Public Member Functions | |
ChainKey | Parent () const |
returns the parent chain of the residue | |
RT | Type () const |
returns the residue type of the residue | |
void | Type (RT rt) |
sets the residue type of the residue | |
AtomList | Atoms () const |
returns the atoms of the residue | |
string | Name () const |
returns the name of the residue | |
void | Name (string n) |
sets the name of the residue | |
unsigned int | Id () const |
returns the id of the residue | |
void | Id (unsigned int i) |
sets the id of the residue | |
bool | Valid () const |
returns a validation flag, only with -DDEBUG | |
Friends | |
ResidueKey | rCreate (ChainKey p, RT rt) |
Create a new residue. | |
void | rDelete (ResidueKey k) |
Delete a residue. | |
AtomKey | aCreate (ResidueKey p, ELE e, Vec3_t c, GEO g) |
Create a new atom. | |
void | aDelete (AtomKey k) |
Delete an atom. |
ResidueKey rCreate | ( | ChainKey | p, | |
RT | rt | |||
) | [friend] |
Create a new residue.
Create a new residue of type rt at the end of chain p and return the new ResidueKey.
void rDelete | ( | ResidueKey | k | ) | [friend] |
Delete a residue.
Delete residue r and all of its children.
Create a new atom.
Create a new atom with element e, coordinates c and geometrie g at the end of residue p and return the new AtomKey.
void aDelete | ( | AtomKey | k | ) | [friend] |
Delete an atom.
Delete atom a and all of its bonds.