InChI
 
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Data Fields
OAD_AtProps Struct Reference

Structure describing atom properties for OAD. More...

#include <inpdef.h>

+ Collaboration diagram for OAD_AtProps:

Data Fields

int erank
 
int ring_erank
 
int ring_num
 
int ring_size
 

Detailed Description

Structure describing atom properties for OAD.

Parameters
erankRank of element; 2 - C, >2 - rank of heteroatom in chain, O > S > Se > Te > N ...., Rule 4
ring_erank0 - not ring or just carbocycle, >2 - rank of senior heteroatom in this cycle, according to Rule 2 ( N > O >... )
ring_numRing number
ring_size0 or ring system size that is: ring_erank != 0 heterocycle of ring_size ring_erank==0 && ring_size>0 carbocycle of ring_size

Field Documentation

◆ erank

int OAD_AtProps::erank

◆ ring_erank

int OAD_AtProps::ring_erank

◆ ring_num

int OAD_AtProps::ring_num

◆ ring_size

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