Atoms in a given residue type
Public Methods
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TRes_Atom()
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TRes_Atom(int i_id, int i_type_id)
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~TRes_Atom()
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void set_id(int i_id)
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void set_bond_length(float i_bond_length)
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void set_bond_angle(float i_bond_angle)
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void set_type(int i_type_id)
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void add_assoc_at(int i_index, int i_assoc_at)
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void add_bonded_at(int i_bonded_at)
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void set_tor(int i_tor)
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int get_id() const
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float get_bond_length() const
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float get_bond_angle() const
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int get_type() const
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int get_assoc_at(int i_index) const
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int get_bonded_at(int i_index) const
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int get_num_bonded_at() const
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int get_tor() const
Private Fields
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int id
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int assoc_ats[3]
- the 3 other atoms in residue req.
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vector<int> bonded_ats
- index of the atoms that this atom is bonded to for the residue type
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float bond_length
- bond lenght of this atom with 1st atom of the 3 atoms
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float bond_angle
- bond angle of this atom with 1st and 2nd atom of the 3 atoms
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int type_id
- type information for this atom
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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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