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 47 of file Canon.h.

Constructor & Destructor Documentation

MolStackElem() [1/4]

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

inlineexplicit

construct an Atom node

Definition at line 50 of file Canon.h.

References RDKit::Canon::MOL_STACK_ATOM, obj, and type.

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 61 of file Canon.h.

References RDKit::Canon::MOL_STACK_BOND, number, obj, and type.

MolStackElem() [3/4]

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

inlineexplicit

construct for a ring closure

Definition at line 67 of file Canon.h.

References RDKit::Canon::MOL_STACK_RING, number, and type.

MolStackElem() [4/4]

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

inlineexplicit

construct for a branch opening or closing

Definition at line 72 of file Canon.h.

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

Member Data Documentation

number

int RDKit::Canon::MolStackElem::number

Initial value:

=
      -1

stores our number (relevant for bonds and ring closures)

Definition at line 87 of file Canon.h.

Referenced by MolStackElem(), MolStackElem(), and MolStackElem().

obj

MolStackUnion RDKit::Canon::MolStackElem::obj

holds our pointer (if appropriate)

Definition at line 86 of file Canon.h.

Referenced by MolStackElem(), and MolStackElem().

type

MolStackTypes RDKit::Canon::MolStackElem::type

stores the type of node

Definition at line 85 of file Canon.h.

Referenced by MolStackElem(), MolStackElem(), MolStackElem(), and MolStackElem().

---

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

• Canon.h