Daylight v4.9
Release Date: 1 February 2008

Name

dt_pattern - retrieve a reactant or product pattern from a reaction transform

Generic Prototype

dt_pattern(dt_Handle, dt_Integer) => dt_Handle

C Prototype

#include "dt_smarts.h"

dt_Handle dt_pattern(dt_Handle transform, dt_Integer role)

FORTRAN Prototype

include 'dt_f_smarts.inc'

integer*4 dt_f_pattern(transform, role)

integer*4 transform
integer*4 role

Description

Returns one of the underlying molecule pattern objects described by the transform object. Valid 'roles' are DX_ROLE_REACTANT and DX_ROLE_PRODUCT.

Note that the pattern object is owned by the transform object. You must not alter or deallocate the pattern, but may use it for pattern-matching operations against molecule or reaction targets.

The pattern is identical to the pattern which one would get by taking the reactant or product side of a transform string, stripping out the atom map expressions, and performing dt_smartin(3).

Return Value

Returns a pattern object based upon the transform. For all other object types, this function returns NULL_OB.

Related Topics

dt_smirkin(3) dt_transform(3)