Package org.rcsb.cif.model.generated

Class ChemicalConnBond

java.lang.Object

org.rcsb.cif.model.BaseCategory

org.rcsb.cif.model.generated.ChemicalConnBond

All Implemented Interfaces:

Category

@Generated("org.rcsb.cif.generator.SchemaGenerator")
public class ChemicalConnBond
extends BaseCategory

Data items in the CHEMICAL_CONN_BOND category would not, in general, be used in a macromolecular CIF. See instead the ENTITY data items. Data items in the CHEMICAL_CONN_ATOM and CHEMICAL_CONN_BOND categories record details about the two-dimensional (2D) chemical structure of the molecular species. They allow a 2D chemical diagram to be reconstructed for use in a publication or in a database search for structural and substructural relationships. The CHEMICAL_CONN_BOND data items specify the connections between the atoms in the CHEMICAL_CONN_ATOM list and the nature of the chemical bond between these atoms.

Field Summary

Fields inherited from class org.rcsb.cif.model.BaseCategory

isText, textFields

Constructor Summary

Constructors

Constructor	Description
ChemicalConnBond(String name)
ChemicalConnBond(String name, int rowCount, Object[] encodedColumns)
ChemicalConnBond(String name, Map<String,Column> columns)

Method Summary

Modifier and Type	Method	Description
IntColumn	getAtom1()	This data item is a pointer to _chemical_conn_atom.number in the CHEMICAL_CONN_ATOM category.
IntColumn	getAtom2()	This data item is a pointer to _chemical_conn_atom.number in the CHEMICAL_CONN_ATOM category.
StrColumn	getType()	The chemical bond type associated with the connection between the two sites _chemical_conn_bond.atom_1 and _chemical_conn_bond.atom_2.

Methods inherited from class org.rcsb.cif.model.BaseCategory

getBinaryColumn, getCategoryName, getColumn, getColumnNames, getRowCount, isDefined

Methods inherited from class java.lang.Object

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

Methods inherited from interface org.rcsb.cif.model.Category

columnNames, columns, get

Constructor Detail

ChemicalConnBond

public ChemicalConnBond(String name,
                        Map<String,Column> columns)

ChemicalConnBond

public ChemicalConnBond(String name,
                        int rowCount,
                        Object[] encodedColumns)

ChemicalConnBond

public ChemicalConnBond(String name)

Method Detail

getAtom1

public IntColumn getAtom1()

This data item is a pointer to _chemical_conn_atom.number in the CHEMICAL_CONN_ATOM category.

Returns:

IntColumn

getAtom2

public IntColumn getAtom2()

This data item is a pointer to _chemical_conn_atom.number in the CHEMICAL_CONN_ATOM category.

Returns:

IntColumn

getType

public StrColumn getType()

The chemical bond type associated with the connection between the two sites _chemical_conn_bond.atom_1 and _chemical_conn_bond.atom_2.

Returns:

StrColumn