Release Date: 1 February 2008
Object Synopsistransform -- object representing a generic reaction
DescriptionA transform object represents a generic reaction. Transforms are created by reading a SMIRKS string (dt_smirkin(3)). Given that the SMIRKS language is a subset of SMARTS, any SMIRKS is also a valid SMARTS. Transform objects can be used directly as reaction patterns for searching (dt_match(3). Transform objects also have two associated molecule pattern objects which can be obtained and used for molecule-oriented SMARTS searching (dt_pattern(3)). Transform objects can be applied to sets of molecules. If the generic reaction is one which applies to the set of molecules, the result of this operation is the specific reaction which occurs given the molecules and the generic reaction.
Related Topicsmolecule(3ob) pattern(3ob) reaction(3ob)
dt_umatch(3) dt_setinteger(3) dt_typename(3) dt_sethandle(3) dt_transform(3) dt_integer(3) dt_pattern(3) dt_utransform(3) dt_real(3) dt_handle(3) dt_match(3) dt_string(3) dt_setstring(3) dt_setadjunct(3) dt_smirkin(3) dt_xtransform(3) dt_boolean(3) dt_xmatch(3) dt_setreal(3) dt_proptype(3) dt_vmatch(3) dt_setboolean(3) dt_adjunct(3) dt_type(3) dt_propnames(3) dt_appendstring(3)