RDKit::MarvinReaction Class Reference

#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.

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

• MarvinDefs.h