The has the basic information for the symmetry definition:
SymmetryName: The name of the symmetry being defined. This corresponds to the entries in the SymmetryPairAssignments.
ElementName: The name of the structure of the symmetry definition (corresponding to the CMLStructure)
SymmetryType: The type symmetry.
SymmetryFactor: The numerical factor
The rest of the complete symmetry definition is given in SymmetryPairAssignments with the same SymmetryName.
This table is created when the SymmetryPairAssignments are read in.
The following symmetry types have corresponding classes in JThermodynamics as specified by the the SymmetryType column:
ExternalSymmetry: The external symmetry
OpticalIsomers: Optical symmetry
InternalSymmetry: Internal symmetry
SecondaryExternalSymmetry: Secondary external symmetry
CREATE TABLE `SymmetryDefinition` (
`SymmetryName` varchar(40) NOT NULL,
`ElementName` varchar(40) DEFAULT NULL,
`SymmetryType` varchar(40) DEFAULT NULL,
`SymmetryFactor` double DEFAULT '1',
PRIMARY KEY (`SymmetryName`)
) ENGINE=MyISAM DEFAULT CHARSET=latin1;
Often the information in this table is in conjunction with reading other information.