class TRes

Residue type info

Public Methods

TRes()

TRes(int i_id, string i_name, string i_shortname, char i_code, int i_num_ats, int i_num_tors, int i_num_var_tors)

~TRes()

void set_id(int i_id)

void set_name(string i_name)

void set_shortname(string i_shortname)

void set_code(char i_code)

void set_num_ats(int i_num_ats)

void set_num_tors(int i_num_tors)

void set_num_var_tors(int i_num_var_tors)

void add_at(TRes_Atom* i_at)

void add_tor(TRes_Tor* i_tor)

void add_at_present(int i_index)

void add_tor_present(int i_index)

int get_id() const

const string& get_name() const

const string& get_shortname() const

char get_code() const

int get_num_ats() const

int get_num_tors() const

int get_tot_num_tors() const

size of tors

int get_num_var_tors() const

const TRes_Atom* get_const_at(int i_index) const

const TRes_Tor* get_const_tor(int i_index) const

TRes_Atom* get_at(int i_index)

TRes_Tor* get_tor(int i_index)

int get_at_present(int i_index) const

int get_tor_present(int i_index) const

bool check_consistency() const

Private Fields

int id

string name

name of residue

string shortname

3 char shortname of residue

char code

1 char code for residue

TRes_Atom* ats[NUM_ATOM_LABELS]

array of maximum 41 atoms

vector<int> ats_present

indicates index of the atoms present in this residue

vector<int> tors_present

indicates the index of the tors present in this residue

int num_ats

number of atoms present in this residue

int num_tors

number of different tors, only used when reading from config file

int num_var_tors

number of variable torsions associated with this res type

Private Members

Note : number of atoms associated with this res type = number of tors, as each atom has an associated tor

Documentation

Residue type info

TRes()

TRes(int i_id, string i_name, string i_shortname, char i_code, int i_num_ats, int i_num_tors, int i_num_var_tors)

~TRes()

void set_id(int i_id)

void set_name(string i_name)

void set_shortname(string i_shortname)

void set_code(char i_code)

void set_num_ats(int i_num_ats)

void set_num_tors(int i_num_tors)

void set_num_var_tors(int i_num_var_tors)

void add_at(TRes_Atom* i_at)

void add_tor(TRes_Tor* i_tor)

void add_at_present(int i_index)

void add_tor_present(int i_index)

int get_id() const

const string& get_name() const

const string& get_shortname() const

char get_code() const

int get_num_ats() const

int get_num_tors() const

int get_tot_num_tors() const

size of tors

int get_num_var_tors() const

const TRes_Atom* get_const_at(int i_index) const

const TRes_Tor* get_const_tor(int i_index) const

TRes_Atom* get_at(int i_index)

TRes_Tor* get_tor(int i_index)

int get_at_present(int i_index) const

int get_tor_present(int i_index) const

bool check_consistency() const

int id

string name

name of residue

string shortname

3 char shortname of residue

char code

1 char code for residue

TRes_Atom* ats[NUM_ATOM_LABELS]

array of maximum 41 atoms

Note : number of atoms associated with this res type = number of tors, as each atom has an associated tor

Note : number of atoms associated with this res type = number of tors, as each atom has an associated tor

vector<int> ats_present

indicates index of the atoms present in this residue

vector<int> tors_present

indicates the index of the tors present in this residue

int num_ats

number of atoms present in this residue

int num_tors

number of different tors, only used when reading from config file

int num_var_tors

number of variable torsions associated with this res type

This class has no child classes.

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