java.lang.Object
- org.rcsb.cif.model.BaseCategory
- - org.rcsb.cif.model.generated.AtomType

All Implemented Interfaces:

Category
```
@Generated("org.rcsb.cif.generator.SchemaGenerator")
public class AtomType
extends BaseCategory
```
Data items in the ATOM_TYPE category record details about the properties of the atoms that occupy the atom sites, such as the atomic scattering factors.

Field Summary
- Fields inherited from class org.rcsb.cif.model.BaseCategory
  isText, textFields

Constructor Summary

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

Method Summary

All Methods Instance Methods Concrete Methods
Modifier and Type	Method	Description
`FloatColumn`	`getAnalyticalMassPercent()`	Mass percentage of this atom type derived from chemical analysis.
`StrColumn`	`getDescription()`	A description of the atom(s) designated by this atom type.
`IntColumn`	`getNumberInCell()`	Total number of atoms of this atom type in the unit cell.
`IntColumn`	`getOxidationNumber()`	Formal oxidation state of this atom type in the structure.
`FloatColumn`	`getPdbxScatCromerMannA5()`	Scattering-factor coefficient a5, used to calculate electron elastic atomic scattering factors for the defined atom type.
`FloatColumn`	`getPdbxScatCromerMannB5()`	Scattering-factor coefficient b5, used to calculate electron elastic atomic scattering factors for the defined atom type.
`FloatColumn`	`getRadiusBond()`	The effective intramolecular bonding radius in angstroms of this atom type.
`FloatColumn`	`getRadiusContact()`	The effective intermolecular bonding radius in angstroms of this atom type.
`FloatColumn`	`getScatCromerMannA1()`	The Cromer-Mann scattering-factor coefficient a1 used to calculate the scattering factors for this atom type.
`FloatColumn`	`getScatCromerMannA2()`	The Cromer-Mann scattering-factor coefficient a2 used to calculate the scattering factors for this atom type.
`FloatColumn`	`getScatCromerMannA3()`	The Cromer-Mann scattering-factor coefficient a3 used to calculate the scattering factors for this atom type.
`FloatColumn`	`getScatCromerMannA4()`	The Cromer-Mann scattering-factor coefficient a4 used to calculate the scattering factors for this atom type.
`FloatColumn`	`getScatCromerMannB1()`	The Cromer-Mann scattering-factor coefficient b1 used to calculate the scattering factors for this atom type.
`FloatColumn`	`getScatCromerMannB2()`	The Cromer-Mann scattering-factor coefficient b2 used to calculate the scattering factors for this atom type.
`FloatColumn`	`getScatCromerMannB3()`	The Cromer-Mann scattering-factor coefficient b3 used to calculate the scattering factors for this atom type.
`FloatColumn`	`getScatCromerMannB4()`	The Cromer-Mann scattering-factor coefficient b4 used to calculate the scattering factors for this atom type.
`FloatColumn`	`getScatCromerMannC()`	The Cromer-Mann scattering-factor coefficient c used to calculate the scattering factors for this atom type.
`FloatColumn`	`getScatDispersionImag()`	The imaginary component of the anomalous-dispersion scattering factor, f'', in electrons for this atom type and the radiation identified by _diffrn_radiation_wavelength.id.
`FloatColumn`	`getScatDispersionReal()`	The real component of the anomalous-dispersion scattering factor, f', in electrons for this atom type and the radiation identified by _diffrn_radiation_wavelength.id.
`StrColumn`	`getScatDispersionSource()`	Reference to the source of the real and imaginary dispersion corrections for scattering factors used for this atom type.
`StrColumn`	`getScatLengthNeutron()`	The bound coherent scattering length in femtometres for the atom type at the isotopic composition used for the diffraction experiment.
`StrColumn`	`getScatSource()`	Reference to the source of the scattering factors or scattering lengths used for this atom type.
`StrColumn`	`getScatVersusStolList()`	A table of scattering factors as a function of sin theta over lambda.
`StrColumn`	`getSymbol()`	The code used to identify the atom species (singular or plural) representing this atom type.

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
  - AtomType
```
public AtomType(String name,
                Map<String,Column> columns)
```
  - AtomType
```
public AtomType(String name,
                int rowCount,
                Object[] encodedColumns)
```
  - AtomType
```
public AtomType(String name)
```
- Method Detail
  - getAnalyticalMassPercent
```
public FloatColumn getAnalyticalMassPercent()
```
    Mass percentage of this atom type derived from chemical analysis.
    
    Returns:
    
    FloatColumn
  - getDescription
```
public StrColumn getDescription()
```
    A description of the atom(s) designated by this atom type. In most cases, this is the element name and oxidation state of a single atom species. For disordered or nonstoichiometric structures it will describe a combination of atom species.
    
    Returns:
    
    StrColumn
  - getNumberInCell
```
public IntColumn getNumberInCell()
```
    Total number of atoms of this atom type in the unit cell.
    
    Returns:
    
    IntColumn
  - getOxidationNumber
```
public IntColumn getOxidationNumber()
```
    Formal oxidation state of this atom type in the structure.
    
    Returns:
    
    IntColumn
  - getRadiusBond
```
public FloatColumn getRadiusBond()
```
    The effective intramolecular bonding radius in angstroms of this atom type.
    
    Returns:
    
    FloatColumn
  - getRadiusContact
```
public FloatColumn getRadiusContact()
```
    The effective intermolecular bonding radius in angstroms of this atom type.
    
    Returns:
    
    FloatColumn
  - getScatCromerMannA1
```
public FloatColumn getScatCromerMannA1()
```
    The Cromer-Mann scattering-factor coefficient a1 used to calculate the scattering factors for this atom type. Ref: International Tables for X-ray Crystallography (1974). Vol. IV, Table 2.2B or: International Tables for Crystallography (2004). Vol. C, Tables 6.1.1.4 and 6.1.1.5.
    
    Returns:
    
    FloatColumn
  - getScatCromerMannA2
```
public FloatColumn getScatCromerMannA2()
```
    The Cromer-Mann scattering-factor coefficient a2 used to calculate the scattering factors for this atom type. Ref: International Tables for X-ray Crystallography (1974). Vol. IV, Table 2.2B or: International Tables for Crystallography (2004). Vol. C, Tables 6.1.1.4 and 6.1.1.5.
    
    Returns:
    
    FloatColumn
  - getScatCromerMannA3
```
public FloatColumn getScatCromerMannA3()
```
    The Cromer-Mann scattering-factor coefficient a3 used to calculate the scattering factors for this atom type. Ref: International Tables for X-ray Crystallography (1974). Vol. IV, Table 2.2B or: International Tables for Crystallography (2004). Vol. C, Tables 6.1.1.4 and 6.1.1.5.
    
    Returns:
    
    FloatColumn
  - getScatCromerMannA4
```
public FloatColumn getScatCromerMannA4()
```
    The Cromer-Mann scattering-factor coefficient a4 used to calculate the scattering factors for this atom type. Ref: International Tables for X-ray Crystallography (1974). Vol. IV, Table 2.2B or: International Tables for Crystallography (2004). Vol. C, Tables 6.1.1.4 and 6.1.1.5.
    
    Returns:
    
    FloatColumn
  - getScatCromerMannB1
```
public FloatColumn getScatCromerMannB1()
```
    The Cromer-Mann scattering-factor coefficient b1 used to calculate the scattering factors for this atom type. Ref: International Tables for X-ray Crystallography (1974). Vol. IV, Table 2.2B or: International Tables for Crystallography (2004). Vol. C, Tables 6.1.1.4 and 6.1.1.5.
    
    Returns:
    
    FloatColumn
  - getScatCromerMannB2
```
public FloatColumn getScatCromerMannB2()
```
    The Cromer-Mann scattering-factor coefficient b2 used to calculate the scattering factors for this atom type. Ref: International Tables for X-ray Crystallography (1974). Vol. IV, Table 2.2B or: International Tables for Crystallography (2004). Vol. C, Tables 6.1.1.4 and 6.1.1.5.
    
    Returns:
    
    FloatColumn
  - getScatCromerMannB3
```
public FloatColumn getScatCromerMannB3()
```
    The Cromer-Mann scattering-factor coefficient b3 used to calculate the scattering factors for this atom type. Ref: International Tables for X-ray Crystallography (1974). Vol. IV, Table 2.2B or: International Tables for Crystallography (2004). Vol. C, Tables 6.1.1.4 and 6.1.1.5.
    
    Returns:
    
    FloatColumn
  - getScatCromerMannB4
```
public FloatColumn getScatCromerMannB4()
```
    The Cromer-Mann scattering-factor coefficient b4 used to calculate the scattering factors for this atom type. Ref: International Tables for X-ray Crystallography (1974). Vol. IV, Table 2.2B or: International Tables for Crystallography (2004). Vol. C, Tables 6.1.1.4 and 6.1.1.5.
    
    Returns:
    
    FloatColumn
  - getScatCromerMannC
```
public FloatColumn getScatCromerMannC()
```
    The Cromer-Mann scattering-factor coefficient c used to calculate the scattering factors for this atom type. Ref: International Tables for X-ray Crystallography (1974). Vol. IV, Table 2.2B or: International Tables for Crystallography (2004). Vol. C, Tables 6.1.1.4 and 6.1.1.5.
    
    Returns:
    
    FloatColumn
  - getScatDispersionImag
```
public FloatColumn getScatDispersionImag()
```
    The imaginary component of the anomalous-dispersion scattering factor, f'', in electrons for this atom type and the radiation identified by _diffrn_radiation_wavelength.id.
    
    Returns:
    
    FloatColumn
  - getScatDispersionReal
```
public FloatColumn getScatDispersionReal()
```
    The real component of the anomalous-dispersion scattering factor, f', in electrons for this atom type and the radiation identified by _diffrn_radiation_wavelength.id.
    
    Returns:
    
    FloatColumn
  - getScatLengthNeutron
```
public StrColumn getScatLengthNeutron()
```
    The bound coherent scattering length in femtometres for the atom type at the isotopic composition used for the diffraction experiment.
    
    Returns:
    
    StrColumn
  - getScatSource
```
public StrColumn getScatSource()
```
    Reference to the source of the scattering factors or scattering lengths used for this atom type.
    
    Returns:
    
    StrColumn
  - getScatVersusStolList
```
public StrColumn getScatVersusStolList()
```
    A table of scattering factors as a function of sin theta over lambda. This table should be well commented to indicate the items present. Regularly formatted lists are strongly recommended.
    
    Returns:
    
    StrColumn
  - getSymbol
```
public StrColumn getSymbol()
```
    The code used to identify the atom species (singular or plural) representing this atom type. Normally this code is the element symbol. The code may be composed of any character except an underscore with the additional proviso that digits designate an oxidation state and must be followed by a + or - character.
    
    Returns:
    
    StrColumn
  - getScatDispersionSource
```
public StrColumn getScatDispersionSource()
```
    Reference to the source of the real and imaginary dispersion corrections for scattering factors used for this atom type.
    
    Returns:
    
    StrColumn
  - getPdbxScatCromerMannA5
```
public FloatColumn getPdbxScatCromerMannA5()
```
    Scattering-factor coefficient a5, used to calculate electron elastic atomic scattering factors for the defined atom type. Electron Elastic Scattering Factors Ref: International Tables for X-ray Crystallography (2006). Vol. C, Table 4.3.2.2, pp. 282-283. Cromer_Mann equation Ref: International Tables for X-ray Crystallography (1974). Vol. IV, Table 2.2B or: International Tables for Crystallography (2004). Vol. C, Tables 6.1.1.4 and 6.1.1.5.
    
    Returns:
    
    FloatColumn
  - getPdbxScatCromerMannB5
```
public FloatColumn getPdbxScatCromerMannB5()
```
    Scattering-factor coefficient b5, used to calculate electron elastic atomic scattering factors for the defined atom type. Electron Elastic Scattering Factors Ref: International Tables for X-ray Crystallography (2006). Vol. C, Table 4.3.2.2, pp. 282-283. Cromer_Mann equation Ref: International Tables for X-ray Crystallography (1974). Vol. IV, Table 2.2B or: International Tables for Crystallography (2004). Vol. C, Tables 6.1.1.4 and 6.1.1.5.
    
    Returns:
    
    FloatColumn

Class AtomType

Field Summary

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

Constructor Summary

Method Summary

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

Methods inherited from class java.lang.Object

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

Constructor Detail

AtomType

AtomType

AtomType

Method Detail

getAnalyticalMassPercent

getDescription

getNumberInCell

getOxidationNumber

getRadiusBond

getRadiusContact

getScatCromerMannA1

getScatCromerMannA2

getScatCromerMannA3

getScatCromerMannA4

getScatCromerMannB1

getScatCromerMannB2

getScatCromerMannB3

getScatCromerMannB4

getScatCromerMannC

getScatDispersionImag

getScatDispersionReal

getScatLengthNeutron

getScatSource

getScatVersusStolList

getSymbol

getScatDispersionSource

getPdbxScatCromerMannA5

getPdbxScatCromerMannB5