chemaxon.jchem.db
Class StructureTableOptions

java.lang.Object
  chemaxon.jchem.db.StructureTableOptions

All Implemented Interfaces:

TableTypeConstants

public class StructureTableOptions

extends java.lang.Object

implements TableTypeConstants

Class for storing options for straucture table creation.

Since:

JChem 5.0

Author:

Szilard Dorant

Field Summary

boolean	absoluteStereo Specifies if structures should eb treated as absolute stereo during database search.
boolean	cartridgeIndexTable For internal use only.
java.util.Map	chemTermColsConfig Map having as keys the names of columns which must be assigned a value (during structure import and update).
java.lang.String	extraColumnDefinitions Definitions of additional columns.
int	fp_numberOfEdges The	int	fp_numberOfInts The	int	fp_numberOfOnes The	int	mysqlTableType Specifies table engine for MySql.
java.lang.String	name The name of the structure table
java.lang.String	standardizerConfig Custom standardization configuration.
chemaxon.sss.screen.StrucFPConfig	structuralKeyConfig A structural key configuration.
int	structureColumnType Specifies the type of the cd_structure column.
int	tableType Specifies the type of the structure table.
boolean	tautomerDuplicateChecking Specifies if tautomers should be considered during PERFECT search, e.g. importing with duplicate checking.

Fields inherited from interface chemaxon.jchem.db.TableTypeConstants

FP_DEFAULT_BITS_PER_PATTERN, FP_DEFAULT_LENGTH_IN_INTS, FP_DEFAULT_PATTERN_LENGTH, MYSQL_DEFAULT_TABLE_TYPE, MYSQL_FORCE_INNO_DB, MYSQL_FORCE_MYISAM, TABLE_TYPE_ANY_STRUCTURES, TABLE_TYPE_DEFAULT, TABLE_TYPE_EXPLANATIONS, TABLE_TYPE_IS_NOT_SUPPORTED, TABLE_TYPE_MARKUSH_LIBRARIES, TABLE_TYPE_MOLECULES, TABLE_TYPE_NAMES, TABLE_TYPE_QUERY_STRUCTURES, TABLE_TYPE_REACTIONS

Constructor Summary

StructureTableOptions()

Methods inherited from class java.lang.Object

clone, equals, finalize, getClass, hashCode, notify, notifyAll, toString, wait, wait, wait

Field Detail

name

public java.lang.String name

The name of the structure table

fp_numberOfInts

public int fp_numberOfInts

The length of the chemical hashed fingerprint in int size units (bit count / 32)

fp_numberOfOnes

public int fp_numberOfOnes

The Bits to be set for patterns

fp_numberOfEdges

public int fp_numberOfEdges

The Maximum pattern length

standardizerConfig

public java.lang.String standardizerConfig

Custom standardization configuration. If null, default standardization is used.

absoluteStereo

public boolean absoluteStereo

Specifies if structures should eb treated as absolute stereo during database search. This overrides the original state of the chiral flag.

structuralKeyConfig

public chemaxon.sss.screen.StrucFPConfig structuralKeyConfig

A structural key configuration.

See Also:

StrucFPConfig

chemTermColsConfig

public java.util.Map chemTermColsConfig

Map having as keys the names of columns which must be assigned a value (during structure import and update). The values assigned to the columns are calculated using the chemical terms expressions contained in the map as values.

tableType

public int tableType

Specifies the type of the structure table. The following options can be specified:

• TableTypeConstants.TABLE_TYPE_MOLECULES
• TableTypeConstants.TABLE_TYPE_REACTIONS
• TableTypeConstants.TABLE_TYPE_ANY_STRUCTURES
• TableTypeConstants.TABLE_TYPE_MARKUSH_LIBRARIES

The default value is TableTypeConstants.TABLE_TYPE_DEFAULT.

tautomerDuplicateChecking

public boolean tautomerDuplicateChecking

Specifies if tautomers should be considered during PERFECT search, e.g. importing with duplicate checking.
If set to true the import / insert of structures requires some additional CPU time.
The default value is false.

extraColumnDefinitions

public java.lang.String extraColumnDefinitions

Definitions of additional columns. The syntax of the columnDefs field

• starts with a comma
• contains column definitions separated by comma
• see the SQL CREATE statement for legal column definions

structureColumnType

public int structureColumnType

Specifies the type of the cd_structure column. The following values are accepted:

• Types.BLOB
• Types.CLOB
• Types.LONGVARBINARY
Specify 0 for the default type.

cartridgeIndexTable

public boolean cartridgeIndexTable

For internal use only.

mysqlTableType

public int mysqlTableType

Specifies table engine for MySql.

See Also:

TableTypeConstants.MYSQL_DEFAULT_TABLE_TYPE, TableTypeConstants.MYSQL_FORCE_INNO_DB, TableTypeConstants.MYSQL_FORCE_MYISAM

Constructor Detail

StructureTableOptions

public StructureTableOptions()