Class StructureTableOptions

    • Constructor Detail

      • StructureTableOptions

        public StructureTableOptions​(String name,
                                     int tableType)
        Creates structure table options with the specified name and table type.
        Parameters:
        name - table name
        tableType - table type
      • StructureTableOptions

        public StructureTableOptions​(String name)
        Creates structure table options with the specified table name and default table type (TableTypeConstants.TABLE_TYPE_DEFAULT).
        Parameters:
        name - table name
    • Method Detail

      • getName

        public String getName()
        Gets the table name.
        Returns:
        the table name
      • getFpNumberOfInts

        public int getFpNumberOfInts()
        Gets the length of the chemical hashed fingerprint.
        Returns:
        the length of the chemical hashed fingerprint in int size units
      • getFpNumberOfOnes

        public int getFpNumberOfOnes()
        Gets the number of bits set for patterns.
        Returns:
        the number of bits set for patterns
      • getFpNumberOfEdges

        public int getFpNumberOfEdges()
        Gets he maximum pattern length.
        Returns:
        the maximum pattern length
      • getStandardizerConfig

        public String getStandardizerConfig()
        Gets the standardization configuration string.
        Returns:
        the standardization configuration string
      • isAbsoluteStereo

        public boolean isAbsoluteStereo()
        Gets whether the structures should be treated as absolute stereo during database search.
        Returns:
        structures should be treated as absolute stereo during database search
      • getStructuralKeyConfig

        public StrucFPConfig getStructuralKeyConfig()
        Gets the structural key configuration.
        Returns:
        the structural key configuration
      • getChemTermColsConfig

        public Map<String,​String> getChemTermColsConfig()
        Gets a map having as keys the names of columns which are 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.
        Returns:
        a map having as keys the names of columns which are assigned a value
      • getTableType

        public int getTableType()
        Gets the table name.
        Returns:
        the table type
      • isTautomerDuplicateChecking

        public boolean isTautomerDuplicateChecking()
        Gets whether tautomers are considered during DUPLICATE search.
        Returns:
        returns whether tautomers are considered during DUPLICATE search, e.g. importing with duplicate checking
      • getExtraColumnDefinitions

        public String getExtraColumnDefinitions()
        Gets the definitions of additional columns.
        Returns:
        the definitions of additional columns
      • getStructureColumnType

        public int getStructureColumnType()
        Gets the type of the cd_structure column.
        Returns:
        the type of the cd_structure column
      • getMysqlTableType

        public int getMysqlTableType()
        Gets the table engine for MySql.
        Returns:
        the table engine for MySql.
      • isDuplicateFiltering

        public boolean isDuplicateFiltering()
        Gets the duplicate filtering option.
        Returns:
        the duplicate filtering option
      • getCacheUpdaterType

        public chemaxon.jchem.base.storage.cache.CacheUpdaterType getCacheUpdaterType()
        Gets the method to update cache.
        Returns:
        the method to update cache
      • setFpNumberOfInts

        public void setFpNumberOfInts​(int fp_numberOfInts)
        Sets the length of the chemical hashed fingerprint in int size units (bit count / 32). The value should be greater than or equal to 8.
        Parameters:
        fp_numberOfInts - the chemical hashed fingerprint in int size units
      • setFpNumberOfOnes

        public void setFpNumberOfOnes​(int fp_numberOfOnes)
        Sets the number of bits to be set for patterns.
        Parameters:
        fp_numberOfOnes - the number of bits to set
      • setFpNumberOfBonds

        public void setFpNumberOfBonds​(int fp_numberOfBonds)
        Sets the maximum pattern length. The value should be between 2 and 10.
        Parameters:
        fp_numberOfBonds - maximum pattern length
      • setStandardizerConfig

        public void setStandardizerConfig​(String standardizerConfig)
        Sets the standardization configuration string (XML or simple action string).
        Parameters:
        standardizerConfig - the standardization configuration string
      • setAbsoluteStereo

        public void setAbsoluteStereo​(boolean absoluteStereo)
        Specifies if structures should be treated as absolute stereo during database search. This overrides the original state of the chiral flag.
        Parameters:
        absoluteStereo - whether structures should be treated as absolute stereo during database search
      • setStructuralKeyConfig

        public void setStructuralKeyConfig​(StrucFPConfig structuralKeyConfig)
        Sets the structural key configuration.
        Parameters:
        structuralKeyConfig - the structural key configuration
        See Also:
        StrucFPConfig
      • setChemTermColsConfig

        public void setChemTermColsConfig​(Map<String,​String> chemTermColsConfig)
        Sets the 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.
        Parameters:
        chemTermColsConfig - the chemical terms expression
      • setTautomerDuplicateChecking

        public void setTautomerDuplicateChecking​(boolean tautomerDuplicateChecking)
        Specifies if tautomers should be considered during DUPLICATE search, e.g. importing with duplicate checking.
        If set to true the import / insert of structures requires some additional CPU time.
        Parameters:
        tautomerDuplicateChecking - whether tautomers should be considered during DUPLICATE search or import.
      • setExtraColumnDefinitions

        public void setExtraColumnDefinitions​(String extraColumnDefinitions)
        Sets the 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 definitions.
        Parameters:
        extraColumnDefinitions - the definitions of additional columns
      • setStructureColumnType

        public void setStructureColumnType​(int structureColumnType)
        Sets the structure column type.
        Parameters:
        structureColumnType - the structure column type
      • setDuplicateFiltering

        public void setDuplicateFiltering​(boolean duplicateFiltering)
        Specifies the duplicate filtering option.
        Parameters:
        duplicateFiltering - duplicate filtering option
      • setCacheUpdaterType

        public void setCacheUpdaterType​(chemaxon.jchem.base.storage.cache.CacheUpdaterType cacheUpdaterType)
        Sets the cache update type.
        Parameters:
        cacheUpdaterType - the method to update cache
      • setName

        public void setName​(String name)
        Parameters:
        name - the name to set
      • setTableType

        public void setTableType​(int tableType)
        Parameters:
        tableType - the tableType to set
      • getTautomerEqualityMode

        @Beta
        public chemaxon.sss.search.options.TautomerTransformationMode getTautomerEqualityMode()
      • setTautomerEqualityMode

        @Beta
        public void setTautomerEqualityMode​(chemaxon.sss.search.options.TautomerTransformationMode tautomerEqualityMode)