dt_chiseq

Daylight v4.9
Release Date: 1 February 2008

Name

dt_chiseq - retrieve a stream of bonds having specified chirality

Generic Prototype

dt_chiseq(dt_Handle, dt_Integer) => dt_Handle

C Prototype

#include "dt_smiles.h"

dt_Handle dt_chiseq(dt_Handle atom, dt_Integer chival)

FORTRAN Prototype

include 'dt_f_smiles.inc'

integer*4 dt_f_chiseq(atom, chival)

integer*4 atom
integer*4 chival

Description

Generates a stream of bonds having the chirality given by 'chival' around the given atom 'atom'. The chiral order portion of the value is used to determine the ordering of the returned stream.

The given stream will meet the following conditions: All of the bonds will join to the chiral center 'atom', and the stream will contain all of the bonds to the chiral atom.

Implicit hydrogens are specified as hydrogen atom as an element of the stream (as opposed to a bond).

Return Value

Returns a stream of bonds, or the NULL_OB if an error is detected.

Bugs

This is poorly named. In previous versions, it was documented as returning a sequence, but the function actually returns a stream.