Package org.rcsb.cif.model.generated

Class ValenceParam

java.lang.Object

org.rcsb.cif.model.BaseCategory

org.rcsb.cif.model.generated.ValenceParam

All Implemented Interfaces:

Category

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

Data items in the VALENCE_PARAM category define the parameters used for calculating bond valences from bond lengths. In addition to the parameters, a pointer is given to the reference (in VALENCE_REF) from which the bond-valence parameters were taken.

Field Summary

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

isText, textFields

Constructor Summary

Constructors

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

Method Summary

Modifier and Type	Method	Description
StrColumn	getAtom1()	The element symbol of the first atom forming the bond whose bond-valence parameters are given in this category.
IntColumn	getAtom1Valence()	The valence (formal charge) of the first atom whose bond-valence parameters are given in this category.
StrColumn	getAtom2()	The element symbol of the second atom forming the bond whose bond-valence parameters are given in this category.
IntColumn	getAtom2Valence()	The valence (formal charge) of the second atom whose bond-valence parameters are given in this category.
FloatColumn	getB()	The bond-valence parameter B used in the expression s = exp[(Ro - R)/B] where s is the valence of a bond of length R.
StrColumn	getDetails()	Details of or comments on the bond-valence parameters.
StrColumn	getId()	An identifier for the valence parameters of a bond between the given atoms.
StrColumn	getRefId()	An identifier which links to the reference to the source from which the bond-valence parameters are taken.
FloatColumn	getRo()	The bond-valence parameter Ro used in the expression s = exp[(Ro - R)/B] where s is the valence of a bond of length R.

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

ValenceParam

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

ValenceParam

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

ValenceParam

public ValenceParam(String name)

Method Detail

getAtom1

public StrColumn getAtom1()

The element symbol of the first atom forming the bond whose bond-valence parameters are given in this category.

Returns:

StrColumn

getAtom1Valence

public IntColumn getAtom1Valence()

The valence (formal charge) of the first atom whose bond-valence parameters are given in this category.

Returns:

IntColumn

getAtom2

public StrColumn getAtom2()

The element symbol of the second atom forming the bond whose bond-valence parameters are given in this category.

Returns:

StrColumn

getAtom2Valence

public IntColumn getAtom2Valence()

The valence (formal charge) of the second atom whose bond-valence parameters are given in this category.

Returns:

IntColumn

getB

public FloatColumn getB()

The bond-valence parameter B used in the expression s = exp[(Ro - R)/B] where s is the valence of a bond of length R.

Returns:

FloatColumn

getDetails

public StrColumn getDetails()

Details of or comments on the bond-valence parameters.

Returns:

StrColumn

getId

public StrColumn getId()

An identifier for the valence parameters of a bond between the given atoms.

Returns:

StrColumn

getRefId

public StrColumn getRefId()

An identifier which links to the reference to the source from which the bond-valence parameters are taken. A child of _valence_ref.id which it must match.

Returns:

StrColumn

getRo

public FloatColumn getRo()

The bond-valence parameter Ro used in the expression s = exp[(Ro - R)/B] where s is the valence of a bond of length R.

Returns:

FloatColumn