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mdl_atom Struct Reference

#include <ReadMDLMol.h>

List of all members.

Public Methods

 mdl_atom (void)

Public Attributes

float x
float y
float z
char symbol [4]
int mass_difference
int charge
int stereo_parity
int hcount
int stereo_care_box
int valence


Constructor & Destructor Documentation

mdl_atom::mdl_atom void    [inline]
 

Definition at line 35 of file ReadMDLMol.h.

References charge, hcount, mass_difference, stereo_care_box, stereo_parity, symbol, valence, x, y, and z.


Member Data Documentation

int mdl_atom::charge
 

Definition at line 45 of file ReadMDLMol.h.

Referenced by mdl_atom, molecule_mdl, read_mdl_atom, and write_mdl_atom.

int mdl_atom::hcount
 

Definition at line 47 of file ReadMDLMol.h.

Referenced by mdl_atom, read_mdl_atom, and write_mdl_atom.

int mdl_atom::mass_difference
 

Definition at line 44 of file ReadMDLMol.h.

Referenced by mdl_atom, molecule_mdl, read_mdl_atom, and write_mdl_atom.

int mdl_atom::stereo_care_box
 

Definition at line 52 of file ReadMDLMol.h.

Referenced by mdl_atom, read_mdl_atom, and write_mdl_atom.

int mdl_atom::stereo_parity
 

Definition at line 46 of file ReadMDLMol.h.

Referenced by mdl_atom, read_mdl_atom, and write_mdl_atom.

char mdl_atom::symbol[4]
 

Definition at line 43 of file ReadMDLMol.h.

Referenced by mdl_atom, molecule_mdl, read_mdl_atom, and write_mdl_atom.

int mdl_atom::valence
 

Definition at line 53 of file ReadMDLMol.h.

Referenced by mdl_atom, read_mdl_atom, and write_mdl_atom.

float mdl_atom::x
 

Definition at line 42 of file ReadMDLMol.h.

Referenced by mdl_atom, molecule_mdl, read_mdl_atom, and write_mdl_atom.

float mdl_atom::y
 

Definition at line 42 of file ReadMDLMol.h.

Referenced by mdl_atom, molecule_mdl, read_mdl_atom, and write_mdl_atom.

float mdl_atom::z
 

Definition at line 42 of file ReadMDLMol.h.

Referenced by mdl_atom, molecule_mdl, read_mdl_atom, and write_mdl_atom.


The documentation for this struct was generated from the following file:
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