tagOriginalStruct Struct Reference

Structure describing the original structure. More...

#include <inpdef.h>

Collaboration diagram for tagOriginalStruct:

Data Fields
int	num_atoms
char *	szAtoms
char *	szBonds
char *	szCoord
OAD_Polymer *	polymer
OAD_V3000 *	v3000
int	n_zy

Detailed Description

Structure describing the original structure.

Parameters

num_atoms	Number of atoms
szAtoms	String representation of atoms
szBonds	String representation of bonds
szCoord	String representation of coordinates
polymer	Pointer to polymer data structure (uses pointer copy from orig_inp_data, do not free after use!)
v3000	Pointer to V3000 data structure (uses pointer copy from orig_inp_data, do not free after use!)
n_zy	Number of non-polymeric pseudoatoms (Zy)

Field Documentation

n_zy

int tagOriginalStruct::n_zy

num_atoms

int tagOriginalStruct::num_atoms

polymer

OAD_Polymer* tagOriginalStruct::polymer

szAtoms

char* tagOriginalStruct::szAtoms

szBonds

char* tagOriginalStruct::szBonds

szCoord

char* tagOriginalStruct::szCoord

v3000

OAD_V3000* tagOriginalStruct::v3000

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

• INCHI-1-SRC/INCHI_BASE/src/inpdef.h