#include <MarvinDefs.h>

Public Member Functions
	~MarvinReaction ()

void	prepSgroupsForRDKit ()

std::string	toString ()

ptree	toPtree () const

Public Attributes
std::vector< std::unique_ptr< MarvinMol > >	reactants

std::vector< std::unique_ptr< MarvinMol > >	agents

std::vector< std::unique_ptr< MarvinMol > >	products

MarvinArrow	arrow

std::vector< std::unique_ptr< MarvinPlus > >	pluses

std::vector< std::unique_ptr< MarvinCondition > >	conditions

Detailed Description

Definition at line 589 of file MarvinDefs.h.

Constructor & Destructor Documentation

◆ ~MarvinReaction()

RDKit::MarvinReaction::~MarvinReaction ( )

Member Function Documentation

◆ prepSgroupsForRDKit()

void RDKit::MarvinReaction::prepSgroupsForRDKit ( )

◆ toPtree()

ptree RDKit::MarvinReaction::toPtree ( ) const

◆ toString()

std::string RDKit::MarvinReaction::toString ( )

Member Data Documentation

◆ agents

std::vector<std::unique_ptr<MarvinMol> > RDKit::MarvinReaction::agents

Definition at line 592 of file MarvinDefs.h.

◆ arrow

MarvinArrow RDKit::MarvinReaction::arrow

Definition at line 595 of file MarvinDefs.h.

◆ conditions

std::vector<std::unique_ptr<MarvinCondition> > RDKit::MarvinReaction::conditions

Definition at line 597 of file MarvinDefs.h.

◆ pluses

std::vector<std::unique_ptr<MarvinPlus> > RDKit::MarvinReaction::pluses

Definition at line 596 of file MarvinDefs.h.

◆ products

std::vector<std::unique_ptr<MarvinMol> > RDKit::MarvinReaction::products

Definition at line 593 of file MarvinDefs.h.

◆ reactants

std::vector<std::unique_ptr<MarvinMol> > RDKit::MarvinReaction::reactants

Definition at line 591 of file MarvinDefs.h.

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

MarvinDefs.h

Public Member Functions

Public Attributes