InChI
 
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Data Fields
tagOAD_StructureEdits Struct Reference

Structure describing structure edits. More...

#include <inpdef.h>

+ Collaboration diagram for tagOAD_StructureEdits:

Data Fields

INT_ARRAY * del_atom
 
INT_ARRAY * del_bond
 
INT_ARRAY * new_bond
 
INT_ARRAY * mod_bond
 
INT_ARRAY * mod_coord
 
int del_side_chains
 

Detailed Description

Structure describing structure edits.

Parameters
del_atomArray of deleted atom indices
del_bondArray of deleted bond indices
new_bondArray of new bond indices
mod_bondArray of modified bond indices
mod_coordArray of modified coordinate indices
del_side_chainsFlag indicating whether to delete side chains

Field Documentation

◆ del_atom

INT_ARRAY* tagOAD_StructureEdits::del_atom

◆ del_bond

INT_ARRAY* tagOAD_StructureEdits::del_bond

◆ del_side_chains

int tagOAD_StructureEdits::del_side_chains

◆ mod_bond

INT_ARRAY* tagOAD_StructureEdits::mod_bond

◆ mod_coord

INT_ARRAY* tagOAD_StructureEdits::mod_coord

◆ new_bond

INT_ARRAY* tagOAD_StructureEdits::new_bond
The documentation for this struct was generated from the following file: