Package org.rcsb.cif.model.generated

Class ChemCompAngle

java.lang.Object

org.rcsb.cif.model.BaseCategory

org.rcsb.cif.model.generated.ChemCompAngle

All Implemented Interfaces:

Category

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

Data items in the CHEM_COMP_ANGLE category record details about angles in a chemical component. Angles are designated by three atoms, with the second atom forming the vertex of the angle. Target values may be specified as angles in degrees, as a distance between the first and third atoms, or both.

Field Summary

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

isText, textFields

Constructor Summary

Constructors

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

Method Summary

Modifier and Type	Method	Description
StrColumn	getAtomId1()	The ID of the first of the three atoms that define the angle.
StrColumn	getAtomId2()	The ID of the second of the three atoms that define the angle.
StrColumn	getAtomId3()	The ID of the third of the three atoms that define the angle.
StrColumn	getCompId()	This data item is a pointer to _chem_comp.id in the CHEM_COMP category.
FloatColumn	getValueAngle()	The value that should be taken as the target value for the angle associated with the specified atoms, expressed in degrees.
FloatColumn	getValueAngleEsd()	The standard uncertainty (estimated standard deviation) of _chem_comp_angle.value_angle.
FloatColumn	getValueDist()	The value that should be taken as the target value for the angle associated with the specified atoms, expressed as the distance between the atoms specified by _chem_comp_angle.atom_id_1 and _chem_comp_angle.atom_id_3.
FloatColumn	getValueDistEsd()	The standard uncertainty (estimated standard deviation) of _chem_comp_angle.value_dist.

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

ChemCompAngle

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

ChemCompAngle

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

ChemCompAngle

public ChemCompAngle(String name)

Method Detail

getAtomId1

public StrColumn getAtomId1()

The ID of the first of the three atoms that define the angle. 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 three atoms that define the angle. The second atom is taken to be the apex of the angle. This data item is a pointer to _chem_comp_atom.atom_id in the CHEM_COMP_ATOM category.

Returns:

StrColumn

getAtomId3

public StrColumn getAtomId3()

The ID of the third of the three atoms that define the angle. 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

getValueAngle

public FloatColumn getValueAngle()

The value that should be taken as the target value for the angle associated with the specified atoms, expressed in degrees.

Returns:

FloatColumn

getValueAngleEsd

public FloatColumn getValueAngleEsd()

The standard uncertainty (estimated standard deviation) of _chem_comp_angle.value_angle.

Returns:

FloatColumn

getValueDist

public FloatColumn getValueDist()

The value that should be taken as the target value for the angle associated with the specified atoms, expressed as the distance between the atoms specified by _chem_comp_angle.atom_id_1 and _chem_comp_angle.atom_id_3.

Returns:

FloatColumn

getValueDistEsd

public FloatColumn getValueDistEsd()

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

Returns:

FloatColumn