InChI
 
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Data Fields
tagInputInChI Struct Reference

#include <ichirvrs.h>

+ Collaboration diagram for tagInputInChI:

Data Fields

INChI * pInpInChI [INCHI_NUM][TAUT_NUM]
 
int nNumComponents [INCHI_NUM][TAUT_NUM]
 
REM_PROTONS nNumProtons [INCHI_NUM][TAUT_NUM]
 
int s [INCHI_NUM][TAUT_NUM][2]
 
long num_inp
 
inp_ATOM * atom
 
int num_atoms
 
int num_explicit_H
 
INCHI_MODE CompareInchiFlags [INCHI_NUM][TAUT_NUM]
 
OAD_Polymer * polymer
 
OAD_V3000 * v3000
 
int valid_polymer
 

Field Documentation

◆ atom

inp_ATOM* tagInputInChI::atom

◆ CompareInchiFlags

INCHI_MODE tagInputInChI::CompareInchiFlags[INCHI_NUM][TAUT_NUM]

◆ nNumComponents

int tagInputInChI::nNumComponents[INCHI_NUM][TAUT_NUM]

◆ nNumProtons

REM_PROTONS tagInputInChI::nNumProtons[INCHI_NUM][TAUT_NUM]

◆ num_atoms

int tagInputInChI::num_atoms

◆ num_explicit_H

int tagInputInChI::num_explicit_H

◆ num_inp

long tagInputInChI::num_inp

◆ pInpInChI

INChI* tagInputInChI::pInpInChI[INCHI_NUM][TAUT_NUM]

◆ polymer

OAD_Polymer* tagInputInChI::polymer

◆ s

int tagInputInChI::s[INCHI_NUM][TAUT_NUM][2]

◆ v3000

OAD_V3000* tagInputInChI::v3000

◆ valid_polymer

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