RDKit
Open-source cheminformatics and machine learning.
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Public Attributes | List of all members
RDKit::MolStandardize::MetalDisconnectorOptions Struct Reference

#include <Metal.h>

Public Attributes

bool splitGrignards = false
 
bool splitAromaticC = false
 
bool adjustCharges = true
 
bool removeHapticDummies
 

Detailed Description

The MetalDisconnector class contains tools for disconnecting metal atoms that are defined as covalently bonded to non-metals.

Notes:

Definition at line 34 of file Metal.h.

Member Data Documentation

◆ adjustCharges

bool RDKit::MolStandardize::MetalDisconnectorOptions::adjustCharges = true

Definition at line 37 of file Metal.h.

◆ removeHapticDummies

bool RDKit::MolStandardize::MetalDisconnectorOptions::removeHapticDummies
Initial value:
=
false

Definition at line 38 of file Metal.h.

◆ splitAromaticC

bool RDKit::MolStandardize::MetalDisconnectorOptions::splitAromaticC = false

Definition at line 36 of file Metal.h.

◆ splitGrignards

bool RDKit::MolStandardize::MetalDisconnectorOptions::splitGrignards = false

Definition at line 35 of file Metal.h.

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