org.rcsb.cif.schema.core.ExptlCrystal Maven / Gradle / Ivy
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 specify information about
* crystals used in the diffraction measurements.
*/
@Generated("org.rcsb.cif.schema.generator.SchemaGenerator")
public class ExptlCrystal extends DelegatingCategory.DelegatingCifCoreCategory {
private static final String NAME = "exptl_crystal";
public ExptlCrystal(CifCoreBlock parentBlock) {
super(NAME, parentBlock);
}
/**
* Colour description of a crystal as a list of the allowed
* exptl_crystal_appearance states for general, intensity and hue.
* @return StrColumn
*/
public StrColumn getColour() {
return new DelegatingStrColumn(parentBlock.getColumn("exptl_crystal_colour"));
}
/**
* Crystal density calculated from crystal unit cell and atomic content.
* @return FloatColumn
*/
public FloatColumn getDensityDiffrn() {
return new DelegatingFloatColumn(parentBlock.getColumn("exptl_crystal_density_diffrn"));
}
/**
* Standard uncertainty of _exptl_crystal.density_diffrn.
* @return FloatColumn
*/
public FloatColumn getDensityDiffrnSu() {
return new DelegatingFloatColumn(parentBlock.getColumn("exptl_crystal_density_diffrn_su"));
}
/**
* Crystal density measured using standard chemical and physical methods.
* @return FloatColumn
*/
public FloatColumn getDensityMeas() {
return new DelegatingFloatColumn(parentBlock.getColumn("exptl_crystal_density_meas"));
}
/**
* The value above which the density measured using standard
* chemical and physical methods lies. This item is used only
* when _exptl_crystal.density_meas cannot be employed. It is
* intended for use in reporting information in databases and
* archives which would be misleading if reported otherwise.
* @return FloatColumn
*/
public FloatColumn getDensityMeasGt() {
return new DelegatingFloatColumn(parentBlock.getColumn("exptl_crystal_density_meas_gt"));
}
/**
* The value below which the density measured using standard
* chemical and physical methods lies. This item is used only
* when _exptl_crystal.density_meas cannot be employed. It is
* intended for use in reporting information in databases and
* archives which would be misleading if reported otherwise.
* @return FloatColumn
*/
public FloatColumn getDensityMeasLt() {
return new DelegatingFloatColumn(parentBlock.getColumn("exptl_crystal_density_meas_lt"));
}
/**
* Temperature at which _exptl_crystal.density_meas was determined.
* @return FloatColumn
*/
public FloatColumn getDensityMeasTemp() {
return new DelegatingFloatColumn(parentBlock.getColumn("exptl_crystal_density_meas_temp"));
}
/**
* Temperature above which the measured density was determined.
* This item is used only when _exptl_crystal.density_meas_temp
* cannot be employed. It is intended for use in reporting values
* from databases which would be misleading if reported otherwise.
* @return FloatColumn
*/
public FloatColumn getDensityMeasTempGt() {
return new DelegatingFloatColumn(parentBlock.getColumn("exptl_crystal_density_meas_temp_gt"));
}
/**
* Temperature below which the measured density was determined.
* This item is used only when _exptl_crystal.density_meas_temp
* cannot be employed. It is intended for use in reporting values
* from databases which would be misleading if reported otherwise.
* @return FloatColumn
*/
public FloatColumn getDensityMeasTempLt() {
return new DelegatingFloatColumn(parentBlock.getColumn("exptl_crystal_density_meas_temp_lt"));
}
/**
* Description of method used to measure _exptl_crystal.density_meas.
* @return StrColumn
*/
public StrColumn getDensityMethod() {
return new DelegatingStrColumn(parentBlock.getColumn("exptl_crystal_density_method"));
}
/**
* Description of the quality and habit of the crystal. The crystal
* dimensions should be provided using the exptl_crystal.size_* data items.
* @return StrColumn
*/
public StrColumn getDescription() {
return new DelegatingStrColumn(parentBlock.getColumn("exptl_crystal_description"));
}
/**
* Number of electrons in the crystal unit cell contributing to F(000).
* It may contain dispersion contributions, and is calculated as
*
* F(000) = [ (sum f~r~)^2^ + (sum f~i~)^2^ ]^1/2^
*
* f~r~ = real part of the scattering factors at theta = 0
* f~i~ = imaginary part of the scattering factors at theta = 0
*
* the sum is taken over each atom in the unit cell
*
* For X-rays, non-dispersive F(000) is a positive number and counts
* the effective number of electrons in the unit cell; for neutrons,
* non-dispersive F(000) (which may be negative) counts the total
* nuclear scattering power in the unit cell. See
* http://reference.iucr.org/dictionary/F(000)
* @return FloatColumn
*/
public FloatColumn getF000() {
return new DelegatingFloatColumn(parentBlock.getColumn("exptl_crystal_f_000"));
}
/**
* Code identifying a crystal.
* @return StrColumn
*/
public StrColumn getId() {
return new DelegatingStrColumn(parentBlock.getColumn("exptl_crystal_id"));
}
/**
* Details of crystal growth and preparation of the crystals
* (e.g. mounting) prior to the intensity measurements.
* @return StrColumn
*/
public StrColumn getPreparation() {
return new DelegatingStrColumn(parentBlock.getColumn("exptl_crystal_preparation"));
}
/**
* Details concerning the pressure history of the crystals.
* @return StrColumn
*/
public StrColumn getPressureHistory() {
return new DelegatingStrColumn(parentBlock.getColumn("exptl_crystal_pressure_history"));
}
/**
* Method used to recrystallize the sample. Sufficient details should
* be given for the procedure to be repeated. Temperatures, solvents,
* flux or carrier gases with concentrations or pressures and ambient
* atmosphere details should be given.
* @return StrColumn
*/
public StrColumn getRecrystallizationMethod() {
return new DelegatingStrColumn(parentBlock.getColumn("exptl_crystal_recrystallization_method"));
}
/**
* The length of needle/cylindrical crystals.
* @return FloatColumn
*/
public FloatColumn getSizeLength() {
return new DelegatingFloatColumn(parentBlock.getColumn("exptl_crystal_size_length"));
}
/**
* Standard uncertainty of _exptl_crystal.size_length.
* @return FloatColumn
*/
public FloatColumn getSizeLengthSu() {
return new DelegatingFloatColumn(parentBlock.getColumn("exptl_crystal_size_length_su"));
}
/**
* The maximum dimension of a crystal.
* @return FloatColumn
*/
public FloatColumn getSizeMax() {
return new DelegatingFloatColumn(parentBlock.getColumn("exptl_crystal_size_max"));
}
/**
* Standard uncertainty of _exptl_crystal.size_max.
* @return FloatColumn
*/
public FloatColumn getSizeMaxSu() {
return new DelegatingFloatColumn(parentBlock.getColumn("exptl_crystal_size_max_su"));
}
/**
* The median dimension of a crystal.
* @return FloatColumn
*/
public FloatColumn getSizeMid() {
return new DelegatingFloatColumn(parentBlock.getColumn("exptl_crystal_size_mid"));
}
/**
* Standard uncertainty of _exptl_crystal.size_mid.
* @return FloatColumn
*/
public FloatColumn getSizeMidSu() {
return new DelegatingFloatColumn(parentBlock.getColumn("exptl_crystal_size_mid_su"));
}
/**
* The minimum dimension of a crystal.
* @return FloatColumn
*/
public FloatColumn getSizeMin() {
return new DelegatingFloatColumn(parentBlock.getColumn("exptl_crystal_size_min"));
}
/**
* Standard uncertainty of _exptl_crystal.size_min.
* @return FloatColumn
*/
public FloatColumn getSizeMinSu() {
return new DelegatingFloatColumn(parentBlock.getColumn("exptl_crystal_size_min_su"));
}
/**
* The radius of a spherical or cylindrical crystal.
* @return FloatColumn
*/
public FloatColumn getSizeRad() {
return new DelegatingFloatColumn(parentBlock.getColumn("exptl_crystal_size_rad"));
}
/**
* Standard uncertainty of _exptl_crystal.size_rad.
* @return FloatColumn
*/
public FloatColumn getSizeRadSu() {
return new DelegatingFloatColumn(parentBlock.getColumn("exptl_crystal_size_rad_su"));
}
/**
* Details concerning the thermal history of the crystals.
* @return StrColumn
*/
public StrColumn getThermalHistory() {
return new DelegatingStrColumn(parentBlock.getColumn("exptl_crystal_thermal_history"));
}
/**
* Standard uncertainty of the crystal density measured
* using standard chemical and physical methods.
* @return FloatColumn
*/
public FloatColumn getDensityMeasEsd() {
return new DelegatingFloatColumn(parentBlock.getAliasedColumn("exptl_crystal_density_meas_esd", "exptl_crystal_density_meas_su"));
}
/**
* Standard uncertainty of the crystal density measured
* using standard chemical and physical methods.
* @return FloatColumn
*/
public FloatColumn getDensityMeasSu() {
return new DelegatingFloatColumn(parentBlock.getAliasedColumn("exptl_crystal_density_meas_esd", "exptl_crystal_density_meas_su"));
}
/**
* Standard uncertainty of the temperature at
* which _exptl_crystal.density_meas was determined.
* @return FloatColumn
*/
public FloatColumn getDensityMeasTempEsd() {
return new DelegatingFloatColumn(parentBlock.getAliasedColumn("exptl_crystal_density_meas_temp_esd", "exptl_crystal_density_meas_temp_su"));
}
/**
* Standard uncertainty of the temperature at
* which _exptl_crystal.density_meas was determined.
* @return FloatColumn
*/
public FloatColumn getDensityMeasTempSu() {
return new DelegatingFloatColumn(parentBlock.getAliasedColumn("exptl_crystal_density_meas_temp_esd", "exptl_crystal_density_meas_temp_su"));
}
/**
* Appearance of the crystal as prescribed state codes. Note that 'dull'
* and 'clear' should no longer be used.
* @return StrColumn
*/
public StrColumn getColourLustre() {
return new DelegatingStrColumn(parentBlock.getAliasedColumn("exptl_crystal_colour_lustre", "exptl_crystal_appearance_general"));
}
/**
* Appearance of the crystal as prescribed state codes. Note that 'dull'
* and 'clear' should no longer be used.
* @return StrColumn
*/
public StrColumn getGeneral() {
return new DelegatingStrColumn(parentBlock.getAliasedColumn("exptl_crystal_colour_lustre", "exptl_crystal_appearance_general"));
}
/**
* Colour hue of the crystals as prescribed state codes.
* @return StrColumn
*/
public StrColumn getColourPrimary() {
return new DelegatingStrColumn(parentBlock.getAliasedColumn("exptl_crystal_colour_primary", "exptl_crystal_appearance_hue"));
}
/**
* Colour hue of the crystals as prescribed state codes.
* @return StrColumn
*/
public StrColumn getHue() {
return new DelegatingStrColumn(parentBlock.getAliasedColumn("exptl_crystal_colour_primary", "exptl_crystal_appearance_hue"));
}
/**
* Colour intensity of the crystal as prescribed state codes.
* @return StrColumn
*/
public StrColumn getColourModifier() {
return new DelegatingStrColumn(parentBlock.getAliasedColumn("exptl_crystal_colour_modifier", "exptl_crystal_appearance_intensity"));
}
/**
* Colour intensity of the crystal as prescribed state codes.
* @return StrColumn
*/
public StrColumn getIntensity() {
return new DelegatingStrColumn(parentBlock.getAliasedColumn("exptl_crystal_colour_modifier", "exptl_crystal_appearance_intensity"));
}
}