Package org.rcsb.cif.model.generated

Class ChemCompBond

java.lang.Object

org.rcsb.cif.model.BaseCategory

org.rcsb.cif.model.generated.ChemCompBond

All Implemented Interfaces:

Category

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

Data items in the CHEM_COMP_BOND category record details about the bonds between atoms in a chemical component. Target values may be specified as bond orders, as a distance between the two atoms, or both.

Field Summary

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

isText, textFields

Constructor Summary

Constructors

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

Method Summary

Modifier and Type	Method	Description
StrColumn	getAtomId1()	The ID of the first of the two atoms that define the bond.
StrColumn	getAtomId2()	The ID of the second of the two atoms that define the bond.
StrColumn	getCompId()	This data item is a pointer to _chem_comp.id in the CHEM_COMP category.
StrColumn	getPdbxAromaticFlag()	A flag indicating an aromatic bond.
IntColumn	getPdbxOrdinal()	Ordinal index for the component bond list.
StrColumn	getPdbxStereoConfig()	Stereochemical configuration across a double bond.
FloatColumn	getValueDist()	The value that should be taken as the target for the chemical bond associated with the specified atoms, expressed as a distance.
FloatColumn	getValueDistEsd()	The standard uncertainty (estimated standard deviation) of _chem_comp_bond.value_dist.
StrColumn	getValueOrder()	The value that should be taken as the target for the chemical bond associated with the specified atoms, expressed as a bond order.

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

ChemCompBond

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

ChemCompBond

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

ChemCompBond

public ChemCompBond(String name)

Method Detail

getAtomId1

public StrColumn getAtomId1()

The ID of the first of the two atoms that define the bond. This data item is a pointer to _chem_comp_atom.atom_id in the CHEM_COMP_ATOM category.

Returns:

StrColumn

getAtomId2

public StrColumn getAtomId2()

The ID of the second of the two atoms that define the bond. This data item is a pointer to _chem_comp_atom.atom_id in the CHEM_COMP_ATOM category.

Returns:

StrColumn

getCompId

public StrColumn getCompId()

This data item is a pointer to _chem_comp.id in the CHEM_COMP category.

Returns:

StrColumn

getValueOrder

public StrColumn getValueOrder()

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

Returns:

StrColumn

getValueDist

public FloatColumn getValueDist()

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

Returns:

FloatColumn

getValueDistEsd

public FloatColumn getValueDistEsd()

The standard uncertainty (estimated standard deviation) of _chem_comp_bond.value_dist.

Returns:

FloatColumn

getPdbxOrdinal

public IntColumn getPdbxOrdinal()

Ordinal index for the component bond list.

Returns:

IntColumn

getPdbxStereoConfig

public StrColumn getPdbxStereoConfig()

Stereochemical configuration across a double bond.

Returns:

StrColumn

getPdbxAromaticFlag

public StrColumn getPdbxAromaticFlag()

A flag indicating an aromatic bond.

Returns:

StrColumn