RDKit::Canon::MolStackElem Class Reference

these are the actual elements in the molecular stack More...

#include <Canon.h>

Public Member Functions
	MolStackElem (Atom *at)
	construct an Atom node
	MolStackElem (Bond *bond, int idx)
	construct a bond node
	MolStackElem (int idx)
	construct for a ring closure
	MolStackElem (const char *chr, int idx)
	construct for a branch opening or closing

Public Attributes
MolStackTypes	type
	stores the type of node
MolStackUnion	obj
	holds our pointer (if appropriate)
int	number
	stores our number (relevant for bonds and ring closures)

Detailed Description

these are the actual elements in the molecular stack

Definition at line 52 of file Canon.h.

Constructor & Destructor Documentation

MolStackElem() [1/4]

RDKit::Canon::MolStackElem::MolStackElem ( Atom * at )

inlineexplicit

construct an Atom node

Definition at line 55 of file Canon.h.

References RDKit::Canon::MOL_STACK_ATOM.

MolStackElem() [2/4]

RDKit::Canon::MolStackElem::MolStackElem ( Bond * bond, int idx )

inlineexplicit

construct a bond node

Parameters

bond	pointer to the Bond being added
idx	index of the Atom traversed before this Bond (beginAtom in the canonical traversal order)

Definition at line 66 of file Canon.h.

References RDKit::Canon::MOL_STACK_BOND.

MolStackElem() [3/4]

RDKit::Canon::MolStackElem::MolStackElem ( int idx )

inlineexplicit

construct for a ring closure

Definition at line 72 of file Canon.h.

References RDKit::Canon::MOL_STACK_RING.

MolStackElem() [4/4]

RDKit::Canon::MolStackElem::MolStackElem ( const char * chr, int idx )

inlineexplicit

construct for a branch opening or closing

Definition at line 77 of file Canon.h.

References RDKit::Canon::MOL_STACK_BRANCH_CLOSE, and RDKit::Canon::MOL_STACK_BRANCH_OPEN.

Member Data Documentation

number

int RDKit::Canon::MolStackElem::number

Initial value:

=
      -1

stores our number (relevant for bonds and ring closures)

Definition at line 92 of file Canon.h.

obj

MolStackUnion RDKit::Canon::MolStackElem::obj

holds our pointer (if appropriate)

Definition at line 91 of file Canon.h.

type

MolStackTypes RDKit::Canon::MolStackElem::type

stores the type of node

Definition at line 90 of file Canon.h.

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

• Canon.h