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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

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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.

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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.

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

• ReadMDLMol.h

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