class Atom

Atom - Actual atoms in a protein

Public Methods

Atom()

~Atom()

void set_id(long i_id)

void set_type(int i_type)

void set_res(Res* i_res)

void set_tor(Tor* i_tor)

void add_bonded_at(Atom* i_bonded_at)

void add_assoc_at(Atom* i_assoc_at, int i_index)

void set_coord(float i_x, float i_y, float i_z)

void set_force(float i_x, float i_y, float i_z)

void set_enable(bool i_enable)

long get_id() const

int get_type() const

Res* get_res() const

const Res* get_const_res() const

Tor* get_tor() const

const Tor* get_const_tor() const

int get_num_bonded_at() const

Atom* get_assoc_at(int i_index) const

const Atom* get_const_assoc_at(int i_index) const

Atom* get_bonded_at(int i_index) const

const Atom* get_const_bonded_at(int i_index) const

const Vec& get_const_coord() const

const Vec& get_const_force() const

Vec& get_coord()

Vec& get_force()

bool is_enable() const

Private Fields

long id

int type

index of Atom type

Atom* assoc_at[3]

the 3 associated atom needed to calculate coord of this atom

vector<Atom*> bonded_at

the list of atoms bonded to this atom

Res* res

ptr to residue this atom resides in

Tor* tor

ptr to torsion affecting this atom

Vec coord

coordinates of atom

Vec force

force on atom

bool enable

flag to disable or enable this atom

Documentation

Atom - Actual atoms in a protein

Atom()

~Atom()

void set_id(long i_id)

void set_type(int i_type)

void set_res(Res* i_res)

void set_tor(Tor* i_tor)

void add_bonded_at(Atom* i_bonded_at)

void add_assoc_at(Atom* i_assoc_at, int i_index)

void set_coord(float i_x, float i_y, float i_z)

void set_force(float i_x, float i_y, float i_z)

void set_enable(bool i_enable)

long get_id() const

int get_type() const

Res* get_res() const

const Res* get_const_res() const

Tor* get_tor() const

const Tor* get_const_tor() const

int get_num_bonded_at() const

Atom* get_assoc_at(int i_index) const

const Atom* get_const_assoc_at(int i_index) const

Atom* get_bonded_at(int i_index) const

const Atom* get_const_bonded_at(int i_index) const

const Vec& get_const_coord() const

const Vec& get_const_force() const

Vec& get_coord()

Vec& get_force()

bool is_enable() const

long id

int type

index of Atom type

Atom* assoc_at[3]

the 3 associated atom needed to calculate coord of this atom

vector<Atom*> bonded_at

the list of atoms bonded to this atom

Res* res

ptr to residue this atom resides in

Tor* tor

ptr to torsion affecting this atom

Vec coord

coordinates of atom

Vec force

force on atom

bool enable

flag to disable or enable this atom

This class has no child classes.

Friends:

class Prot

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