class TRes_Atom

Atoms in a given residue type

Public Methods

TRes_Atom()

TRes_Atom(int i_id, int i_type_id)

~TRes_Atom()

void set_id(int i_id)

void set_bond_length(float i_bond_length)

void set_bond_angle(float i_bond_angle)

void set_type(int i_type_id)

void add_assoc_at(int i_index, int i_assoc_at)

void add_bonded_at(int i_bonded_at)

void set_tor(int i_tor)

int get_id() const

float get_bond_length() const

float get_bond_angle() const

int get_type() const

int get_assoc_at(int i_index) const

int get_bonded_at(int i_index) const

int get_num_bonded_at() const

int get_tor() const

Private Fields

int id

int assoc_ats[3]

the 3 other atoms in residue req.

vector<int> bonded_ats

index of the atoms that this atom is bonded to for the residue type

float bond_length

bond lenght of this atom with 1st atom of the 3 atoms

float bond_angle

bond angle of this atom with 1st and 2nd atom of the 3 atoms

int type_id

type information for this atom

int tor_id

type info of torsion affecting this atom

Documentation

Atoms in a given residue type

TRes_Atom()

TRes_Atom(int i_id, int i_type_id)

~TRes_Atom()

void set_id(int i_id)

void set_bond_length(float i_bond_length)

void set_bond_angle(float i_bond_angle)

void set_type(int i_type_id)

void add_assoc_at(int i_index, int i_assoc_at)

void add_bonded_at(int i_bonded_at)

void set_tor(int i_tor)

int get_id() const

float get_bond_length() const

float get_bond_angle() const

int get_type() const

int get_assoc_at(int i_index) const

int get_bonded_at(int i_index) const

int get_num_bonded_at() const

int get_tor() const

int id

int assoc_ats[3]

the 3 other atoms in residue req. to calc coordinate of this atom

vector<int> bonded_ats

index of the atoms that this atom is bonded to for the residue type

float bond_length

bond lenght of this atom with 1st atom of the 3 atoms

float bond_angle

bond angle of this atom with 1st and 2nd atom of the 3 atoms

int type_id

type information for this atom

int tor_id

type info of torsion affecting this atom

This class has no child classes.

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