RDKit
Open-source cheminformatics and machine learning.
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RDKit::MacroMolLeavingGroup Struct Reference

Describes the atoms removed at one MacroMol template attachment point. More...

#include <MacroMolTemplate.h>

Public Member Functions

 MacroMolLeavingGroup (std::vector< unsigned int > atomIdxs, unsigned int attachAtomIdx, unsigned int leavingAtomIdx, int attachPoint)

Public Attributes

std::vector< unsigned int > atomIdxs
unsigned int attachAtomIdx
unsigned int leavingAtomIdx
int attachPoint

Detailed Description

Describes the atoms removed at one MacroMol template attachment point.

Definition at line 28 of file MacroMolTemplate.h.

Constructor & Destructor Documentation

◆ MacroMolLeavingGroup()

RDKit::MacroMolLeavingGroup::MacroMolLeavingGroup ( std::vector< unsigned int > atomIdxs,
unsigned int attachAtomIdx,
unsigned int leavingAtomIdx,
int attachPoint )
inline

Definition at line 29 of file MacroMolTemplate.h.

References atomIdxs, attachAtomIdx, attachPoint, and leavingAtomIdx.

Member Data Documentation

◆ atomIdxs

std::vector<unsigned int> RDKit::MacroMolLeavingGroup::atomIdxs

Definition at line 37 of file MacroMolTemplate.h.

Referenced by MacroMolLeavingGroup().

◆ attachAtomIdx

unsigned int RDKit::MacroMolLeavingGroup::attachAtomIdx

Definition at line 38 of file MacroMolTemplate.h.

Referenced by MacroMolLeavingGroup().

◆ attachPoint

int RDKit::MacroMolLeavingGroup::attachPoint

Definition at line 40 of file MacroMolTemplate.h.

Referenced by MacroMolLeavingGroup().

◆ leavingAtomIdx

unsigned int RDKit::MacroMolLeavingGroup::leavingAtomIdx

Definition at line 39 of file MacroMolTemplate.h.

Referenced by MacroMolLeavingGroup().

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