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BLOB fields must contain CDX documents. CDX
documents are created by the ChemDraw
application, or by the ChemDraw ActiveX control.
CLOB fields can contain base64CDX or CDXML
encoded CDX documents, to SMILES strings or
MolFiles. A SMILES string is a way to describe a
chemical structure in a line of text. MolFiles are
ASCII files containing atom and bond property
information. When MolFiles are used as input,
carriage return/linefeed characters must be
replaced by a single back-slash (\) character.
NOTE: For more information about CDX and MolFile
formats, please see “Exporting and Importing Using File
Formats” in the ChemDraw User’s Guide. For additional
help in creating SMILES strings, please see “SMILES and
SMIRKS Strings” in the ChemDraw User’s Guide.
The ChemDraw ActiveX control as well as a
number of other applications, can save documents
in any of the above formats.
Fast Substructure Search
To enable the fast substructure search feature of the
cartridge, the field containing structure information
must be indexed as follows:
CREATE INDEX ix ON tab(fld) INDEXTYPE
IS CsCartridge.MoleculeIndexType
[PARAMETERS('CsCartridge')];
where:
ix - is an arbitrary name. This name should be
short, because the cartridge concatenates it
with the user name to create different tables,
and the length of table names is restricted to 20
characters.
tab - is the name of the table containing a field
designated to store chemical structure
information.
fld - is the name of the field designed to store
chemical structure information.
The PARAMETERS clause is optional.
• TABLESPACE=tablespace_name
If present, then the the tables created by the
cartridge will not be created in the default
T_CsCartridge tablespace, but rather in the
tablespace_name tablespace provided by the
user. The creator of the tablespace must have
already allocated a reasonable quota to the
CsCartridge user on that tablespace.
• SKIP_POPULATING=[YES|NO]
If present, the indexes will be created normally,
but data stored in the table will not be used to
populate the tables created by the cartridge.
The user has to do it manually. This option
should be used only for troubleshooting. That
is, use this option only if an earlier attempt to
create an index failed for some reason. The
cartridge tables can then be populated by one
or more UPDATE statements following the
pattern below:
• UPDATE tab SET fld = fld;
• One table can contain any number of fields
designed to store chemical structure
information, and some or all of them can be
indexed by the cartridge. If indexing of the
structure field is not desired, use the
following:
• DROP INDEX ix
• This will disable the cartridge, and remove
all data, created in conjunction with the
working of the cartridge, from the database.
Example
CREATE TABLE moltable(mol CLOB);
CREATE INDEX mx ON moltable(mol)
INDEXTYPE IS
CsCartridge.MoleculeIndexTypeaAM
ETERS(‘tablespace=T_chemdat’)];
ChemOffice Enterprise Workgroup & Databases 2005 CS Oracle Cartridge • 189
DDL Considerations