OpenBabel::OBReaction

OBReaction Class Reference

Used to store chemical reactions (i.e., reactants -> products). More...

#include <reaction.h>

Inheritance diagram for OBReaction:

Inheritance graph
[legend]
List of all members.

Public Member Functions

virtual OBBase * DoTransformations (const std::map< std::string, std::string > *pOptions)

Static Public Member Functions

static const char * ClassDescription ()

Public Attributes

vector< OBMol * > reactants
vector< OBMol * > products
string title

Detailed Description

Used to store chemical reactions (i.e., reactants -> products).

Reactants and products stored as pointers to molecules stored elsewhere, since the molecules may be involved in other reactions.

For performing actual reaction transformations (i.e., deleting atoms, changing bonds, etc.) use the OBChemTsfm class.

Member Function Documentation

virtual OBBase* DoTransformations ( const std::map< std::string, std::string > *  pOptions  )  [inline, virtual, inherited]

Reimplemented in OBMol.

static const char* ClassDescription (  )  [inline, static, inherited]

Reimplemented in OBMol.

Member Data Documentation

vector<OBMol*> reactants

vector<OBMol*> products

string title

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