SDA (SDA flex)  7.2
Simulation of Diffusional Association
Classes | Public Member Functions | Public Attributes | Private Member Functions | Private Attributes | Friends | List of all members
Atom Class Reference

#include <PDBstructure.hpp>

Collaboration diagram for Atom:

Classes

struct  Coordinates
 atom id number More...
 

Public Member Functions

float VdW_Radius ()
 atomic radii More...
 
int Read_PDB_File ()
 

Public Attributes

struct Atom::Coordinates Coord
 
float charge
 
float radii
 atomic charge More...
 

Private Member Functions

 Atom ()
 
 ~Atom ()
 Atom destructor. More...
 

Private Attributes

std::string Atom_Type
 
int Atom_Number
 Atom_type: H, C, O, etc. More...
 

Friends

class PDB
 
class Residue
 

Detailed Description

This class store the parameters for each atom instance in a Residue

This class store the parameters for each residue instance in a PDB

Constructor & Destructor Documentation

◆ Atom()

Atom::Atom ( )
inlineprivate

◆ ~Atom()

Atom::~Atom ( )
private

Atom destructor.

Member Function Documentation

◆ Read_PDB_File()

int Atom::Read_PDB_File ( )

◆ VdW_Radius()

float Atom::VdW_Radius ( )

atomic radii

Assign the vdW radius for a given atom.

Warning
atom types and radii given below should be kept consistent with the rest of the SDA code!
Here is the caller graph for this function:

Friends And Related Function Documentation

◆ PDB

friend class PDB
friend

◆ Residue

friend class Residue
friend

Member Data Documentation

◆ Atom_Number

int Atom::Atom_Number
private

Atom_type: H, C, O, etc.

◆ Atom_Type

std::string Atom::Atom_Type
private

◆ charge

float Atom::charge

◆ Coord

struct Atom::Coordinates Atom::Coord

◆ radii

float Atom::radii

atomic charge


The documentation for this class was generated from the following files:
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