Package org.rcsb.cif.schema.mm

Class Cell

java.lang.Object
org.rcsb.cif.schema.DelegatingCategory
org.rcsb.cif.schema.mm.Cell
All Implemented Interfaces:
Category
@Generated("org.rcsb.cif.schema.generator.SchemaGenerator")
public class Cell
extends DelegatingCategory
Data items in the CELL category record details about the crystallographic cell parameters.

  • Constructor Details

  • Method Details

    • createDelegate

      protected Column createDelegate​(String columnName, Column column)
      Overrides:
      createDelegate in class DelegatingCategory

    • getAngleAlpha

      public FloatColumn getAngleAlpha()
      Unit-cell angle alpha of the reported structure in degrees.
      Returns:
      FloatColumn

    • getAngleAlphaEsd

      public FloatColumn getAngleAlphaEsd()
      The standard uncertainty (estimated standard deviation) of _cell.angle_alpha.
      Returns:
      FloatColumn

    • getAngleBeta

      public FloatColumn getAngleBeta()
      Unit-cell angle beta of the reported structure in degrees.
      Returns:
      FloatColumn

    • getAngleBetaEsd

      public FloatColumn getAngleBetaEsd()
      The standard uncertainty (estimated standard deviation) of _cell.angle_beta.
      Returns:
      FloatColumn

    • getAngleGamma

      public FloatColumn getAngleGamma()
      Unit-cell angle gamma of the reported structure in degrees.
      Returns:
      FloatColumn

    • getAngleGammaEsd

      public FloatColumn getAngleGammaEsd()
      The standard uncertainty (estimated standard deviation) of _cell.angle_gamma.
      Returns:
      FloatColumn

    • getEntryId

      public StrColumn getEntryId()
      This data item is a pointer to _entry.id in the ENTRY category.
      Returns:
      StrColumn

    • getDetails

      public StrColumn getDetails()
      A description of special aspects of the cell choice, noting possible alternative settings.
      Returns:
      StrColumn

    • getFormulaUnitsZ

      public IntColumn getFormulaUnitsZ()
      The number of the formula units in the unit cell as specified by _chemical_formula.structural, _chemical_formula.moiety or _chemical_formula.sum.
      Returns:
      IntColumn

    • getLengthA

      public FloatColumn getLengthA()
      Unit-cell length a corresponding to the structure reported in angstroms.
      Returns:
      FloatColumn

    • getLengthAEsd

      public FloatColumn getLengthAEsd()
      The standard uncertainty (estimated standard deviation) of _cell.length_a.
      Returns:
      FloatColumn

    • getLengthB

      public FloatColumn getLengthB()
      Unit-cell length b corresponding to the structure reported in angstroms.
      Returns:
      FloatColumn

    • getLengthBEsd

      public FloatColumn getLengthBEsd()
      The standard uncertainty (estimated standard deviation) of _cell.length_b.
      Returns:
      FloatColumn

    • getLengthC

      public FloatColumn getLengthC()
      Unit-cell length c corresponding to the structure reported in angstroms.
      Returns:
      FloatColumn

    • getLengthCEsd

      public FloatColumn getLengthCEsd()
      The standard uncertainty (estimated standard deviation) of _cell.length_c.
      Returns:
      FloatColumn

    • getVolume

      public FloatColumn getVolume()
      Cell volume V in angstroms cubed. V = a b c (1 - cos^2^~alpha~ - cos^2^~beta~ - cos^2^~gamma~ + 2 cos~alpha~ cos~beta~ cos~gamma~)^1/2^ a = _cell.length_a b = _cell.length_b c = _cell.length_c alpha = _cell.angle_alpha beta = _cell.angle_beta gamma = _cell.angle_gamma
      Returns:
      FloatColumn

    • getVolumeEsd

      public FloatColumn getVolumeEsd()
      The standard uncertainty (estimated standard deviation) of _cell.volume.
      Returns:
      FloatColumn

    • getZPDB

      public IntColumn getZPDB()
      The number of the polymeric chains in a unit cell. In the case of heteropolymers, Z is the number of occurrences of the most populous chain. This data item is provided for compatibility with the original Protein Data Bank format, and only for that purpose.
      Returns:
      IntColumn

    • getReciprocalAngleAlpha

      public FloatColumn getReciprocalAngleAlpha()
      The angle (recip-alpha) defining the reciprocal cell in degrees. (recip-alpha), (recip-alpha) and (recip-alpha) related to the angles in the real cell by: cos(recip-alpha) = [cos(beta)*cos(gamma) - cos(alpha)]/[sin(beta)*sin(gamma)] cos(recip-beta) = [cos(gamma)*cos(alpha) - cos(beta)]/[sin(gamma)*sin(alpha)] cos(recip-gamma) = [cos(alpha)*cos(beta) - cos(gamma)]/[sin(alpha)*sin(beta)] Ref: Buerger, M. J. (1942). X-ray Crystallography, p. 360. New York: John Wiley & Sons Inc.
      Returns:
      FloatColumn

    • getReciprocalAngleBeta

      public FloatColumn getReciprocalAngleBeta()
      The angle (recip-beta) defining the reciprocal cell in degrees. (recip-alpha), (recip-alpha) and (recip-alpha) related to the angles in the real cell by: cos(recip-alpha) = [cos(beta)*cos(gamma) - cos(alpha)]/[sin(beta)*sin(gamma)] cos(recip-beta) = [cos(gamma)*cos(alpha) - cos(beta)]/[sin(gamma)*sin(alpha)] cos(recip-gamma) = [cos(alpha)*cos(beta) - cos(gamma)]/[sin(alpha)*sin(beta)] Ref: Buerger, M. J. (1942). X-ray Crystallography, p. 360. New York: John Wiley & Sons Inc.
      Returns:
      FloatColumn

    • getReciprocalAngleGamma

      public FloatColumn getReciprocalAngleGamma()
      The angle (recip-gamma) defining the reciprocal cell in degrees. (recip-alpha), (recip-alpha) and (recip-alpha) related to the angles in the real cell by: cos(recip-alpha) = [cos(beta)*cos(gamma) - cos(alpha)]/[sin(beta)*sin(gamma)] cos(recip-beta) = [cos(gamma)*cos(alpha) - cos(beta)]/[sin(gamma)*sin(alpha)] cos(recip-gamma) = [cos(alpha)*cos(beta) - cos(gamma)]/[sin(alpha)*sin(beta)] Ref: Buerger, M. J. (1942). X-ray Crystallography, p. 360. New York: John Wiley & Sons Inc.
      Returns:
      FloatColumn

    • getReciprocalAngleAlphaEsd

      public FloatColumn getReciprocalAngleAlphaEsd()
      The estimated standard deviation of _cell.reciprocal_angle_alpha.
      Returns:
      FloatColumn

    • getReciprocalAngleBetaEsd

      public FloatColumn getReciprocalAngleBetaEsd()
      The estimated standard deviation of _cell.reciprocal_angle_beta.
      Returns:
      FloatColumn

    • getReciprocalAngleGammaEsd

      public FloatColumn getReciprocalAngleGammaEsd()
      The estimated standard deviation of _cell.reciprocal_angle_gamma.
      Returns:
      FloatColumn

    • getReciprocalLengthA

      public FloatColumn getReciprocalLengthA()
      The reciprocal cell length (recip-a) in inverse Angstroms. (recip-a), (recip-b) and (recip-c) are related to the real cell by the following equation: recip-a = b*c*sin(alpha)/V recip-b = c*a*sin(beta)/V recip-c = a*b*sin(gamma)/V where V is the cell volume. Ref: Buerger, M. J. (1942). X-ray Crystallography, p. 360. New York: John Wiley & Sons Inc.
      Returns:
      FloatColumn

    • getReciprocalLengthB

      public FloatColumn getReciprocalLengthB()
      The reciprocal cell length (recip-b) in inverse Angstroms. (recip-a), (recip-b) and (recip-c) are related to the real cell by the following equation: recip-a = b*c*sin(alpha)/V recip-b = c*a*sin(beta)/V recip-c = a*b*sin(gamma)/V where V is the cell volume. Ref: Buerger, M. J. (1942). X-ray Crystallography, p. 360. New York: John Wiley & Sons Inc.
      Returns:
      FloatColumn

    • getReciprocalLengthC

      public FloatColumn getReciprocalLengthC()
      The reciprocal cell length (recip-c) in inverse Angstroms. (recip-a), (recip-b) and (recip-c) are related to the real cell by the following equation: recip-a = b*c*sin(alpha)/V recip-b = c*a*sin(beta)/V recip-c = a*b*sin(gamma)/V where V is the cell volume. Ref: Buerger, M. J. (1942). X-ray Crystallography, p. 360. New York: John Wiley & Sons Inc.
      Returns:
      FloatColumn

    • getReciprocalLengthAEsd

      public FloatColumn getReciprocalLengthAEsd()
      The estimated standard deviation of _cell.reciprocal_length_a.
      Returns:
      FloatColumn

    • getReciprocalLengthBEsd

      public FloatColumn getReciprocalLengthBEsd()
      The estimated standard deviation of _cell.reciprocal_length_b.
      Returns:
      FloatColumn

    • getReciprocalLengthCEsd

      public FloatColumn getReciprocalLengthCEsd()
      The estimated standard deviation of _cell.reciprocal_length_c.
      Returns:
      FloatColumn

    • getPdbxUniqueAxis

      public StrColumn getPdbxUniqueAxis()
      To further identify unique axis if necessary. E.g., P 21 with an unique C axis will have 'C' in this field.
      Returns:
      StrColumn