ChemOffice.Com - CambridgeSoft
ChemOffice.Com - CambridgeSoft
ChemOffice.Com - CambridgeSoft
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Administrator<br />
It is important to remember, when creating an<br />
index in a different schema, then the logged-on<br />
user, both the index name and the table name must<br />
be qualified by the schema name. Otherwise, the<br />
cartridge will not connect its tables to the original<br />
table.<br />
For example:<br />
CREATE INDEX mx ON<br />
USER1.moltable(mol)...<br />
is incorrect. The correct format is:<br />
CREATE INDEX USER1.mx ON<br />
USER1.moltable(mol)...<br />
NOTE: Creating an index may be time consuming if the<br />
table already contains lots of records when the index is<br />
created.<br />
DML Considerations<br />
DML (Data Manipulation Language) statements<br />
include statements used to manipulate data.<br />
Examples include (but are not limited to) SELECT,<br />
INSERT, DELETE, and UPDATE.<br />
Data maintenance related to the cartridge is for the<br />
most part automatic, and no extra work is required.<br />
Every time a record is inserted into a table<br />
containing an indexed field, the cartridge is<br />
automatically invoked by the Oracle server. The<br />
cartridge is also invoked if a record is deleted, or if<br />
an indexed field storing a chemical structure is<br />
updated.<br />
Fast Substructure Search<br />
Fast substructure search can be invoked by the<br />
MoleculeContains operator in a SELECT<br />
statement as follows:<br />
SELECT ... FROM tab WHERE<br />
CsCartridge.MoleculeContains(fld<br />
, query4000, query8000,<br />
options)=1<br />
where:<br />
tab - is the name of the table to be retrieved<br />
fld - is the name of the field indexed by the<br />
cartridge<br />
query4000 - is the first 4000 characters of the<br />
query string. The query string can be an<br />
encoded CDX document, a SMILES string, or<br />
a MolFile. For more information about these<br />
formats, please see “DDL Considerations” on<br />
page 188. The Oracle server limits the size of<br />
string literals to 4000 characters.<br />
query8000 - is the second 4000 characters of<br />
the query string. Queries exceeding the 8000<br />
character limits will fail. Since CDX documents<br />
can be voluminous, this limitation may become<br />
important. However even in this case, an 8000<br />
byte limit should not impose too much of a<br />
restriction.<br />
options - is a string containing keyword=value<br />
pairs separated by commas. The interpreted<br />
keywords are:<br />
ABSOLUTEHITSREL=[YES | NO] -<br />
Default is NO<br />
COMPLETE= - to limit the<br />
number of hits tested against atom by atom<br />
matching<br />
DOUBLEBONDSTEREO=[YES|NO] -<br />
double bond stereo matching. Default is<br />
YES.<br />
FRAGMENTSOVERLAP=[YES|NO] -<br />
fragments can overlap. Default is NO.<br />
FULL=[YES|NO] - to specify full<br />
structure search. Default is substructure<br />
search<br />
HITANYCHARGECARBON=[YES|NO] -<br />
hit any charged carbon. Default is YES.<br />
HITANYCHARGEHETERO=[YES|NO] -<br />
hit any charged hetero atom option. Default<br />
is YES.<br />
190•CS Oracle Cartridge<br />
<strong>CambridgeSoft</strong><br />
DML Considerations