Package org.rcsb.cif.schema.core

Class ChemicalConnBond

java.lang.Object

org.rcsb.cif.schema.DelegatingCategory.DelegatingCifCoreCategory

org.rcsb.cif.schema.core.ChemicalConnBond

All Implemented Interfaces:

Category

@Generated("org.rcsb.cif.schema.generator.SchemaGenerator")
public class ChemicalConnBond
extends DelegatingCategory.DelegatingCifCoreCategory

The CATEGORY of data items which specify the connections between the atoms sites in the chemical_conn_atom list and the nature of the chemical bond between these atoms. These are 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.

Nested Class Summary

Nested classes/interfaces inherited from interface org.rcsb.cif.model.Category

Category.EmptyCategory

Field Summary

Fields inherited from class org.rcsb.cif.schema.DelegatingCategory.DelegatingCifCoreCategory

parentBlock

Constructor Summary

Constructors

Constructor	Description
ChemicalConnBond(CifCoreBlock parentBlock)

Method Summary

Modifier and Type	Method	Description
IntColumn	getAtom1()	Index id of first atom in a bond connecting two atom sites.
IntColumn	getAtom2()	Index id of second atom in a bond connecting two atom sites.
FloatColumn	getDistance()	The value that should be taken as the target for the chemical bond associated with the specified atoms, expressed as a distance.
StrColumn	getId()	Unique identifier for the bond.
StrColumn	getType()	Code for the chemical bond type.

Methods inherited from class org.rcsb.cif.schema.DelegatingCategory.DelegatingCifCoreCategory

getCategoryName, getColumn, getColumns, getRowCount

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

columns, getColumn, isDefined

Constructor Details

ChemicalConnBond

public ChemicalConnBond(CifCoreBlock parentBlock)

Method Details

getId

public StrColumn getId()

Unique identifier for the bond.

Returns:

StrColumn

getAtom1

public IntColumn getAtom1()

Index id of first atom in a bond connecting two atom sites.

Returns:

IntColumn

getAtom2

public IntColumn getAtom2()

Index id of second atom in a bond connecting two atom sites.

Returns:

IntColumn

getDistance

public FloatColumn getDistance()

The value that should be taken as the target for the chemical bond associated with the specified atoms, expressed as a distance.

Returns:

FloatColumn

getType

public StrColumn getType()

Code for the chemical bond type.

Returns:

StrColumn