Many resources are needed to download a project. Please understand that we have to compensate our server costs. Thank you in advance. Project price only 1 $
You can buy this project and download/modify it how often you want.
package org.rcsb.cif.schema.core;
import org.rcsb.cif.model.*;
import org.rcsb.cif.schema.*;
import javax.annotation.Generated;
/**
* The CATEGORY of data items used to describe atomic type information
* used in crystallographic structure studies.
*/
@Generated("org.rcsb.cif.schema.generator.SchemaGenerator")
public class AtomType extends DelegatingCategory.DelegatingCifCoreCategory {
private static final String NAME = "atom_type";
public AtomType(CifCoreBlock parentBlock) {
super(NAME, parentBlock);
}
/**
* Standard uncertainty of _atom_type.analytical_mass_percent.
* @return FloatColumn
*/
public FloatColumn getAnalyticalMassPercentSu() {
return new DelegatingFloatColumn(parentBlock.getColumn("atom_type_analytical_mass_percent_su"));
}
/**
* Mass of this atom type.
* @return FloatColumn
*/
public FloatColumn getAtomicMass() {
return new DelegatingFloatColumn(parentBlock.getColumn("atom_type_atomic_mass"));
}
/**
* Atomic number of this atom type.
* @return IntColumn
*/
public IntColumn getAtomicNumber() {
return new DelegatingIntColumn(parentBlock.getColumn("atom_type_atomic_number"));
}
/**
* A description of the atom(s) designated by this atom type. In
* most cases this will be the element name and oxidation state of
* a single atom species. For disordered or nonstoichiometric
* structures it will describe a combination of atom species.
* @return StrColumn
*/
public StrColumn getDescription() {
return new DelegatingStrColumn(parentBlock.getColumn("atom_type_description"));
}
/**
* The display colour assigned to this atom type. Note that the
* possible colours are enumerated in the display_colour list
* category of items.
* @return StrColumn
*/
public StrColumn getDisplayColour() {
return new DelegatingStrColumn(parentBlock.getColumn("atom_type_display_colour"));
}
/**
* Number of electrons in this atom type.
* @return IntColumn
*/
public IntColumn getElectronCount() {
return new DelegatingIntColumn(parentBlock.getColumn("atom_type_electron_count"));
}
/**
* Element symbol for of this atom type. The default value is extracted
* from the ion-to-element enumeration_default list using the index
* value of _atom_type.symbol.
* @return StrColumn
*/
public StrColumn getElementSymbol() {
return new DelegatingStrColumn(parentBlock.getColumn("atom_type_element_symbol"));
}
/**
* Value is a unique key to a set of ATOM_TYPE items
* in a looped list.
* @return StrColumn
*/
public StrColumn getKey() {
return new DelegatingStrColumn(parentBlock.getColumn("atom_type_key"));
}
/**
* Total number of atoms of this atom type in the unit cell.
* @return FloatColumn
*/
public FloatColumn getNumberInCell() {
return new DelegatingFloatColumn(parentBlock.getColumn("atom_type_number_in_cell"));
}
/**
* Formal oxidation state of this atom type in the structure.
* @return IntColumn
*/
public IntColumn getOxidationNumber() {
return new DelegatingIntColumn(parentBlock.getColumn("atom_type_oxidation_number"));
}
/**
* The effective intra-molecular bonding radius of this atom type.
* @return FloatColumn
*/
public FloatColumn getRadiusBond() {
return new DelegatingFloatColumn(parentBlock.getColumn("atom_type_radius_bond"));
}
/**
* The effective inter-molecular bonding radius of this atom type.
* @return FloatColumn
*/
public FloatColumn getRadiusContact() {
return new DelegatingFloatColumn(parentBlock.getColumn("atom_type_radius_contact"));
}
/**
* The identity of the atom specie(s) representing this atom type.
* Normally this code is the element symbol followed by the charge
* if there is one. The symbol may be composed of any character except
* an underline or a blank, with the proviso that digits designate an
* oxidation state and must be followed by a + or - character.
* @return StrColumn
*/
public StrColumn getSymbol() {
return new DelegatingStrColumn(parentBlock.getColumn("atom_type_symbol"));
}
/**
* Mass percentage of this atom type derived from chemical analysis.
* @return FloatColumn
*/
public FloatColumn getAnalyticalMass() {
return new DelegatingFloatColumn(parentBlock.getAliasedColumn("atom_type_analytical_mass_%", "atom_type_analytical_mass_percent"));
}
/**
* Mass percentage of this atom type derived from chemical analysis.
* @return FloatColumn
*/
public FloatColumn getAnalyticalMassPercent() {
return new DelegatingFloatColumn(parentBlock.getAliasedColumn("atom_type_analytical_mass_%", "atom_type_analytical_mass_percent"));
}
/**
* The set of data items used to define Cromer-Mann coefficients
* for generation of X-ray scattering factors.
*
* Ref: International Tables for X-ray Crystallography, Vol. IV
* (1974) Table 2.2B
* or International Tables for Crystallography, Vol. C
* (1991) Tables 6.1.1.4 and 6.1.1.5
* @return FloatColumn
*/
public FloatColumn getScatCromerMannA1() {
return new DelegatingFloatColumn(parentBlock.getAliasedColumn("atom_type_scat_Cromer_Mann_a1", "atom_type_scat_cromer_mann_a1"));
}
/**
* The set of data items used to define Cromer-Mann coefficients
* for generation of X-ray scattering factors.
*
* Ref: International Tables for X-ray Crystallography, Vol. IV
* (1974) Table 2.2B
* or International Tables for Crystallography, Vol. C
* (1991) Tables 6.1.1.4 and 6.1.1.5
* @return FloatColumn
*/
public FloatColumn getCromerMannA1() {
return new DelegatingFloatColumn(parentBlock.getAliasedColumn("atom_type_scat_Cromer_Mann_a1", "atom_type_scat_cromer_mann_a1"));
}
/**
* The set of data items used to define Cromer-Mann coefficients
* for generation of X-ray scattering factors.
*
* Ref: International Tables for X-ray Crystallography, Vol. IV
* (1974) Table 2.2B
* or International Tables for Crystallography, Vol. C
* (1991) Tables 6.1.1.4 and 6.1.1.5
* @return FloatColumn
*/
public FloatColumn getScatCromerMannA2() {
return new DelegatingFloatColumn(parentBlock.getAliasedColumn("atom_type_scat_Cromer_Mann_a2", "atom_type_scat_cromer_mann_a2"));
}
/**
* The set of data items used to define Cromer-Mann coefficients
* for generation of X-ray scattering factors.
*
* Ref: International Tables for X-ray Crystallography, Vol. IV
* (1974) Table 2.2B
* or International Tables for Crystallography, Vol. C
* (1991) Tables 6.1.1.4 and 6.1.1.5
* @return FloatColumn
*/
public FloatColumn getCromerMannA2() {
return new DelegatingFloatColumn(parentBlock.getAliasedColumn("atom_type_scat_Cromer_Mann_a2", "atom_type_scat_cromer_mann_a2"));
}
/**
* The set of data items used to define Cromer-Mann coefficients
* for generation of X-ray scattering factors.
*
* Ref: International Tables for X-ray Crystallography, Vol. IV
* (1974) Table 2.2B
* or International Tables for Crystallography, Vol. C
* (1991) Tables 6.1.1.4 and 6.1.1.5
* @return FloatColumn
*/
public FloatColumn getScatCromerMannA3() {
return new DelegatingFloatColumn(parentBlock.getAliasedColumn("atom_type_scat_Cromer_Mann_a3", "atom_type_scat_cromer_mann_a3"));
}
/**
* The set of data items used to define Cromer-Mann coefficients
* for generation of X-ray scattering factors.
*
* Ref: International Tables for X-ray Crystallography, Vol. IV
* (1974) Table 2.2B
* or International Tables for Crystallography, Vol. C
* (1991) Tables 6.1.1.4 and 6.1.1.5
* @return FloatColumn
*/
public FloatColumn getCromerMannA3() {
return new DelegatingFloatColumn(parentBlock.getAliasedColumn("atom_type_scat_Cromer_Mann_a3", "atom_type_scat_cromer_mann_a3"));
}
/**
* The set of data items used to define Cromer-Mann coefficients
* for generation of X-ray scattering factors.
*
* Ref: International Tables for X-ray Crystallography, Vol. IV
* (1974) Table 2.2B
* or International Tables for Crystallography, Vol. C
* (1991) Tables 6.1.1.4 and 6.1.1.5
* @return FloatColumn
*/
public FloatColumn getScatCromerMannA4() {
return new DelegatingFloatColumn(parentBlock.getAliasedColumn("atom_type_scat_Cromer_Mann_a4", "atom_type_scat_cromer_mann_a4"));
}
/**
* The set of data items used to define Cromer-Mann coefficients
* for generation of X-ray scattering factors.
*
* Ref: International Tables for X-ray Crystallography, Vol. IV
* (1974) Table 2.2B
* or International Tables for Crystallography, Vol. C
* (1991) Tables 6.1.1.4 and 6.1.1.5
* @return FloatColumn
*/
public FloatColumn getCromerMannA4() {
return new DelegatingFloatColumn(parentBlock.getAliasedColumn("atom_type_scat_Cromer_Mann_a4", "atom_type_scat_cromer_mann_a4"));
}
/**
* The set of data items used to define Cromer-Mann coefficients
* for generation of X-ray scattering factors.
*
* Ref: International Tables for X-ray Crystallography, Vol. IV
* (1974) Table 2.2B
* or International Tables for Crystallography, Vol. C
* (1991) Tables 6.1.1.4 and 6.1.1.5
* @return FloatColumn
*/
public FloatColumn getScatCromerMannB1() {
return new DelegatingFloatColumn(parentBlock.getAliasedColumn("atom_type_scat_Cromer_Mann_b1", "atom_type_scat_cromer_mann_b1"));
}
/**
* The set of data items used to define Cromer-Mann coefficients
* for generation of X-ray scattering factors.
*
* Ref: International Tables for X-ray Crystallography, Vol. IV
* (1974) Table 2.2B
* or International Tables for Crystallography, Vol. C
* (1991) Tables 6.1.1.4 and 6.1.1.5
* @return FloatColumn
*/
public FloatColumn getCromerMannB1() {
return new DelegatingFloatColumn(parentBlock.getAliasedColumn("atom_type_scat_Cromer_Mann_b1", "atom_type_scat_cromer_mann_b1"));
}
/**
* The set of data items used to define Cromer-Mann coefficients
* for generation of X-ray scattering factors.
*
* Ref: International Tables for X-ray Crystallography, Vol. IV
* (1974) Table 2.2B
* or International Tables for Crystallography, Vol. C
* (1991) Tables 6.1.1.4 and 6.1.1.5
* @return FloatColumn
*/
public FloatColumn getScatCromerMannB2() {
return new DelegatingFloatColumn(parentBlock.getAliasedColumn("atom_type_scat_Cromer_Mann_b2", "atom_type_scat_cromer_mann_b2"));
}
/**
* The set of data items used to define Cromer-Mann coefficients
* for generation of X-ray scattering factors.
*
* Ref: International Tables for X-ray Crystallography, Vol. IV
* (1974) Table 2.2B
* or International Tables for Crystallography, Vol. C
* (1991) Tables 6.1.1.4 and 6.1.1.5
* @return FloatColumn
*/
public FloatColumn getCromerMannB2() {
return new DelegatingFloatColumn(parentBlock.getAliasedColumn("atom_type_scat_Cromer_Mann_b2", "atom_type_scat_cromer_mann_b2"));
}
/**
* The set of data items used to define Cromer-Mann coefficients
* for generation of X-ray scattering factors.
*
* Ref: International Tables for X-ray Crystallography, Vol. IV
* (1974) Table 2.2B
* or International Tables for Crystallography, Vol. C
* (1991) Tables 6.1.1.4 and 6.1.1.5
* @return FloatColumn
*/
public FloatColumn getScatCromerMannB3() {
return new DelegatingFloatColumn(parentBlock.getAliasedColumn("atom_type_scat_Cromer_Mann_b3", "atom_type_scat_cromer_mann_b3"));
}
/**
* The set of data items used to define Cromer-Mann coefficients
* for generation of X-ray scattering factors.
*
* Ref: International Tables for X-ray Crystallography, Vol. IV
* (1974) Table 2.2B
* or International Tables for Crystallography, Vol. C
* (1991) Tables 6.1.1.4 and 6.1.1.5
* @return FloatColumn
*/
public FloatColumn getCromerMannB3() {
return new DelegatingFloatColumn(parentBlock.getAliasedColumn("atom_type_scat_Cromer_Mann_b3", "atom_type_scat_cromer_mann_b3"));
}
/**
* The set of data items used to define Cromer-Mann coefficients
* for generation of X-ray scattering factors.
*
* Ref: International Tables for X-ray Crystallography, Vol. IV
* (1974) Table 2.2B
* or International Tables for Crystallography, Vol. C
* (1991) Tables 6.1.1.4 and 6.1.1.5
* @return FloatColumn
*/
public FloatColumn getScatCromerMannB4() {
return new DelegatingFloatColumn(parentBlock.getAliasedColumn("atom_type_scat_Cromer_Mann_b4", "atom_type_scat_cromer_mann_b4"));
}
/**
* The set of data items used to define Cromer-Mann coefficients
* for generation of X-ray scattering factors.
*
* Ref: International Tables for X-ray Crystallography, Vol. IV
* (1974) Table 2.2B
* or International Tables for Crystallography, Vol. C
* (1991) Tables 6.1.1.4 and 6.1.1.5
* @return FloatColumn
*/
public FloatColumn getCromerMannB4() {
return new DelegatingFloatColumn(parentBlock.getAliasedColumn("atom_type_scat_Cromer_Mann_b4", "atom_type_scat_cromer_mann_b4"));
}
/**
* The set of data items used to define Cromer-Mann coefficients
* for generation of X-ray scattering factors.
*
* Ref: International Tables for X-ray Crystallography, Vol. IV
* (1974) Table 2.2B
* or International Tables for Crystallography, Vol. C
* (1991) Tables 6.1.1.4 and 6.1.1.5
* @return FloatColumn
*/
public FloatColumn getScatCromerMannC() {
return new DelegatingFloatColumn(parentBlock.getAliasedColumn("atom_type_scat_Cromer_Mann_c", "atom_type_scat_cromer_mann_c"));
}
/**
* The set of data items used to define Cromer-Mann coefficients
* for generation of X-ray scattering factors.
*
* Ref: International Tables for X-ray Crystallography, Vol. IV
* (1974) Table 2.2B
* or International Tables for Crystallography, Vol. C
* (1991) Tables 6.1.1.4 and 6.1.1.5
* @return FloatColumn
*/
public FloatColumn getCromerMannC() {
return new DelegatingFloatColumn(parentBlock.getAliasedColumn("atom_type_scat_Cromer_Mann_c", "atom_type_scat_cromer_mann_c"));
}
/**
* The imaginary component of the anomalous dispersion scattering factors
* for this atom type and radiation by _diffrn_radiation_wavelength.value
* @return FloatColumn
*/
public FloatColumn getScatDispersionImag() {
return new DelegatingFloatColumn(parentBlock.getColumn("atom_type_scat_dispersion_imag"));
}
/**
* The imaginary component of the anomalous dispersion scattering factors
* for this atom type and radiation by _diffrn_radiation_wavelength.value
* @return FloatColumn
*/
public FloatColumn getDispersionImag() {
return new DelegatingFloatColumn(parentBlock.getColumn("atom_type_scat_dispersion_imag"));
}
/**
* The real component of the anomalous dispersion scattering factors
* for this atom type and radiation by _diffrn_radiation_wavelength.value
* @return FloatColumn
*/
public FloatColumn getScatDispersionReal() {
return new DelegatingFloatColumn(parentBlock.getColumn("atom_type_scat_dispersion_real"));
}
/**
* The real component of the anomalous dispersion scattering factors
* for this atom type and radiation by _diffrn_radiation_wavelength.value
* @return FloatColumn
*/
public FloatColumn getDispersionReal() {
return new DelegatingFloatColumn(parentBlock.getColumn("atom_type_scat_dispersion_real"));
}
/**
* Reference to source of real and imaginary dispersion
* corrections for scattering factors used for this atom type.
* @return StrColumn
*/
public StrColumn getScatDispersionSource() {
return new DelegatingStrColumn(parentBlock.getColumn("atom_type_scat_dispersion_source"));
}
/**
* Reference to source of real and imaginary dispersion
* corrections for scattering factors used for this atom type.
* @return StrColumn
*/
public StrColumn getDispersionSource() {
return new DelegatingStrColumn(parentBlock.getColumn("atom_type_scat_dispersion_source"));
}
/**
* The bound coherent scattering length for the atom type at the
* isotopic composition used for the diffraction experiment.
* @return FloatColumn
*/
public FloatColumn getScatLengthNeutron() {
return new DelegatingFloatColumn(parentBlock.getColumn("atom_type_scat_length_neutron"));
}
/**
* The bound coherent scattering length for the atom type at the
* isotopic composition used for the diffraction experiment.
* @return FloatColumn
*/
public FloatColumn getLengthNeutron() {
return new DelegatingFloatColumn(parentBlock.getColumn("atom_type_scat_length_neutron"));
}
/**
* Reference to source of scattering factors used for this atom type.
* @return StrColumn
*/
public StrColumn getScatSource() {
return new DelegatingStrColumn(parentBlock.getColumn("atom_type_scat_source"));
}
/**
* Reference to source of scattering factors used for this atom type.
* @return StrColumn
*/
public StrColumn getSource() {
return new DelegatingStrColumn(parentBlock.getColumn("atom_type_scat_source"));
}
/**
* List of scattering factors as a function of sin theta on lambda.
* List has the form [[<stol value 1> <scatfac 1>] [<stol value 2> <scatfac
* 2>] ....] in increments of 0.01, increasing from 0.0.
* @return FloatColumn
*/
public FloatColumn getScatVersusStolList() {
return new DelegatingFloatColumn(parentBlock.getColumn("atom_type_scat_versus_stol_list"));
}
/**
* List of scattering factors as a function of sin theta on lambda.
* List has the form [[<stol value 1> <scatfac 1>] [<stol value 2> <scatfac
* 2>] ....] in increments of 0.01, increasing from 0.0.
* @return FloatColumn
*/
public FloatColumn getVersusStolList() {
return new DelegatingFloatColumn(parentBlock.getColumn("atom_type_scat_versus_stol_list"));
}
}
