Problems with jcman and postgresql 8?

User 6cb834d88c

30-08-2005 23:21:26

I'm trying to use jcman with Postgresql, to create and populate a new structure table. Everything goes okay until I invoke 'jcman a', at which point it seems to have trouble retrieving properties for the new table. jcman seems to be looking for a property name which includes the username (or the schema name?) twice.





In the example below, the structure import fails because of a failed retrieval of 'jchemuser.jchemuser.structures'.





What am I doing wrong? Thanks for info/advice.
Quote:



$ ./setup_db


+ DBUSER=jchemuser


+ createuser -A -D -P -e jchemuser


Enter password for new user:


Enter it again:


CREATE USER jchemuser PASSWORD 'samplepassword' NOCREATEDB NOCREATEUSER;


CREATE USER


+ createdb -e -O jchemuser jchemuser


CREATE DATABASE jchemuser OWNER jchemuser;


CREATE DATABASE


+ psql -a -U jchemuser


CREATE SCHEMA jchemuser;


CREATE SCHEMA


+ JCMAN=/usr/local/jchem/bin/jcman


+ /usr/local/jchem/bin/jcman c Structures --fplength 320 -l jchemuser --driver org.postgresql.Driver --dburl jdbc:postgresql://localhost/jchemuser -s


Table JChemProperties has been created.


It will store information on tables containing structures.


If necessary, please grant read/write access rights on this table to users.


+ /usr/local/jchem/bin/jcman a Structures test/data/in/nci10.sdf


Collecting file information ...


Done.


Importing structures from test/data/in/nci10.sdf ...


java.sql.SQLException: No fingerprint information for jchemuser.jchemuser.structures


Run "jcman -t" or check the JChemProperties table for structure tables


at chemaxon.jchem.db.UpdateHandler.initFields(UpdateHandler.java:391)


at chemaxon.jchem.db.UpdateHandler.<init>(UpdateHandler.java:232)


at chemaxon.jchem.db.FileToSQLHandler.createUpdateHandler(FileToSQLHandler.java:94)


at chemaxon.jchem.db.FileToSQLHandler.importFile(FileToSQLHandler.java:230)


at chemaxon.jchem.db.Importer.importMols(Importer.java:423)


at chemaxon.jchem.Command.importFromFile(Command.java:717)


at chemaxon.jchem.Command.main(Command.java:413)


Cannot import to table. No fingerprint information for jchemuser.jchemuser.structures


Run "jcman -t" or check the JChemProperties table for structure tableschemaxon.jchem.db.TransferException: No fingerprint information for jchemuser.jchemuser.structures


Run "jcman -t" or check the JChemProperties table for structure tables


at chemaxon.jchem.db.Importer.importMols(Importer.java:440)


at chemaxon.jchem.Command.importFromFile(Command.java:717)


at chemaxon.jchem.Command.main(Command.java:413)


$ psql -U jchemuser


Welcome to psql 8.0.3, the PostgreSQL interactive terminal.





Type: \copyright for distribution terms


\h for help with SQL commands


\? for help with psql commands


\g or terminate with semicolon to execute query


\q to quit





jchemuser=> select * from JChemProperties;


prop_name | prop_value | prop_value_ext


------------------------------------------------------+-------------------------+----------------


db.ConstraintNeededForPrimaryKeyDef | false |


registration.code | 0 |


registration.code.cluster | 0 |


registration.code.cartridge | 0 |


db.isAutoIncrementProperty | true |


db.autoIncrementPropertyName | |


db.existsBitwiseAND | true |


table.jchemuser.structures.updateCounter | 1 |


table.jchemuser.structures.creationTime | 2005-08-30 17:12:55.971 |


table.jchemuser.structures.version | 18 |


table.jchemuser.structures.absoluteStereo | true |


table.jchemuser.structures.fingerprint.numberOfBits | 320 |


table.jchemuser.structures.fingerprint.numberOfOnes | 2 |


table.jchemuser.structures.fingerprint.numberOfEdges | 6 |


(14 rows)





ChemAxon 9c0afc9aaf

31-08-2005 05:37:47

Hi,





I can see from the contents of the property table, that you are not using our latest stable version, but a test version.


(next time please let us know your JChem version)





We have made PostgreSQL compatibility fixes since this version, please upgrade to JChem 3.1 and the error should disappear.





Best regards,





Szilard

User 6cb834d88c

31-08-2005 13:10:40

Thanks, upgrading did indeed eliminate the error message.





Sorry for forgetting to include the relevant version numbers.