rdkit.ML.CompositeRun.CompositeRun

Package rdkit :: Package ML :: Module CompositeRun :: Class CompositeRun |
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# Class CompositeRun

source code

    class to store parameters for and results from Composite building

    This class has a default set of fields which are added to the database.

    By default these fields are stored in a tuple, so they are immutable.  This
      is probably what you want.

Instance Methods | [hide private]
_CreateTable(self, cn, tblName) *Internal Use only* | source code
Store(self, db=`'``models.gdb``'`, table=`'``results``'`, user=`'``sysdba``'`, password=`'``masterkey``'`) adds the result to a database | source code
GetDataSet(self, **kwargs) Returns a MLDataSet pulled from a database using our stored values. | source code
GetDataSetInfo(self, **kwargs) Returns a MLDataSet pulled from a database using our stored values. | source code

Class Variables | [hide private]
| fields = ``(``(``'``rundate``'``,` `'``varchar(32)``'``)``,` `(``'``dbName``'``,` `'``varchar(200)``...``

Method Details | [hide private]

### Store(self, db=`'``models.gdb``'`, table=`'``results``'`, user=`'``sysdba``'`, password=`'``masterkey``'`) | source code
    adds the result to a database

    **Arguments**

      - db: name of the database to use

      - table: name of the table to use

      - user&password: connection information

Class Variable Details | [hide private]

  ### fields Value:
      (('rundate', 'varchar(32)'),
       ('dbName', 'varchar(200)'),
       ('dbWhat', 'varchar(200)'),
       ('dbWhere', 'varchar(200)'),
       ('dbJoin', 'varchar(200)'),
       ('tableName', 'varchar(80)'),
       ('note', 'varchar(120)'),
       ('shuffled', 'smallint'),
      ...