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package org.rcsb.cif.schema.core;
import org.rcsb.cif.model.Block;
import org.rcsb.cif.model.Category;
import org.rcsb.cif.model.Column;
import org.rcsb.cif.schema.DelegatingBlock;
import org.rcsb.cif.schema.DelegatingCategory;
import javax.annotation.Generated;
import java.util.Arrays;
import java.util.Optional;
@Generated("org.rcsb.cif.schema.generator.SchemaGenerator")
public class CifCoreBlock extends DelegatingBlock {
public CifCoreBlock(Block delegate) {
super(delegate);
}
public Column getAliasedColumn(String... aliases) {
Optional> optional = Arrays.stream(aliases)
.filter(alias -> getCategories().containsKey(alias))
.findFirst()
.map(alias -> getCategories().get(alias).getColumn(""));
// compiler, please...
return optional.orElse(Column.EmptyColumn.UNNAMED_COLUMN);
}
@Override
protected Category createDelegate(String categoryName, Category category) {
switch (categoryName) {
case "cif_core":
return getCifCore();
case "diffraction":
return getDiffraction();
case "diffrn":
return getDiffrn();
case "diffrn_attenuator":
return getDiffrnAttenuator();
case "diffrn_detector":
return getDiffrnDetector();
case "diffrn_measurement":
return getDiffrnMeasurement();
case "diffrn_orient":
return getDiffrnOrient();
case "diffrn_orient_matrix":
return getDiffrnOrientMatrix();
case "diffrn_orient_refln":
return getDiffrnOrientRefln();
case "diffrn_radiation":
return getDiffrnRadiation();
case "diffrn_radiation_wavelength":
return getDiffrnRadiationWavelength();
case "diffrn_refln":
return getDiffrnRefln();
case "diffrn_reflns":
return getDiffrnReflns();
case "diffrn_reflns_class":
return getDiffrnReflnsClass();
case "diffrn_reflns_transf_matrix":
return getDiffrnReflnsTransfMatrix();
case "diffrn_scale_group":
return getDiffrnScaleGroup();
case "diffrn_source":
return getDiffrnSource();
case "diffrn_standard":
return getDiffrnStandard();
case "diffrn_standard_refln":
return getDiffrnStandardRefln();
case "refln":
return getRefln();
case "reflns":
return getReflns();
case "reflns_class":
return getReflnsClass();
case "reflns_scale":
return getReflnsScale();
case "reflns_shell":
return getReflnsShell();
case "exptl":
return getExptl();
case "cell":
return getCell();
case "cell_measurement":
return getCellMeasurement();
case "cell_measurement_refln":
return getCellMeasurementRefln();
case "chemical":
return getChemical();
case "chemical_conn_atom":
return getChemicalConnAtom();
case "chemical_conn_bond":
return getChemicalConnBond();
case "chemical_formula":
return getChemicalFormula();
case "exptl_absorpt":
return getExptlAbsorpt();
case "exptl_crystal":
return getExptlCrystal();
case "exptl_crystal_appearance":
return getExptlCrystalAppearance();
case "exptl_crystal_face":
return getExptlCrystalFace();
case "space_group":
return getSpaceGroup();
case "space_group_generator":
return getSpaceGroupGenerator();
case "space_group_symop":
return getSpaceGroupSymop();
case "space_group_wyckoff":
return getSpaceGroupWyckoff();
case "model":
return getModel();
case "geom":
return getGeom();
case "geom_angle":
return getGeomAngle();
case "geom_bond":
return getGeomBond();
case "geom_contact":
return getGeomContact();
case "geom_hbond":
return getGeomHbond();
case "geom_torsion":
return getGeomTorsion();
case "model_site":
return getModelSite();
case "valence":
return getValence();
case "valence_param":
return getValenceParam();
case "valence_ref":
return getValenceRef();
case "publication":
return getPublication();
case "audit":
return getAudit();
case "audit_author":
return getAuditAuthor();
case "audit_author_role":
return getAuditAuthorRole();
case "audit_conform":
return getAuditConform();
case "audit_contact_author":
return getAuditContactAuthor();
case "audit_link":
return getAuditLink();
case "audit_support":
return getAuditSupport();
case "citation":
return getCitation();
case "citation_author":
return getCitationAuthor();
case "citation_editor":
return getCitationEditor();
case "computing":
return getComputing();
case "database":
return getDatabase();
case "database_code":
return getDatabaseCode();
case "database_related":
return getDatabaseRelated();
case "display":
return getDisplay();
case "display_colour":
return getDisplayColour();
case "journal":
return getJournal();
case "journal_coeditor":
return getJournalCoeditor();
case "journal_date":
return getJournalDate();
case "journal_index":
return getJournalIndex();
case "journal_techeditor":
return getJournalTecheditor();
case "publ":
return getPubl();
case "publ_author":
return getPublAuthor();
case "publ_body":
return getPublBody();
case "publ_contact_author":
return getPublContactAuthor();
case "publ_manuscript":
return getPublManuscript();
case "publ_manuscript_incl_extra":
return getPublManuscriptInclExtra();
case "publ_requested":
return getPublRequested();
case "publ_section":
return getPublSection();
case "structure":
return getStructure();
case "atom":
return getAtom();
case "atom_site":
return getAtomSite();
case "atom_site_aniso":
return getAtomSiteAniso();
case "atom_sites":
return getAtomSites();
case "atom_sites_cartn_transform":
return getAtomSitesCartnTransform();
case "atom_sites_fract_transform":
return getAtomSitesFractTransform();
case "atom_type":
return getAtomType();
case "atom_type_scat":
return getAtomTypeScat();
case "refine":
return getRefine();
case "refine_diff":
return getRefineDiff();
case "refine_ls":
return getRefineLs();
case "refine_ls_class":
return getRefineLsClass();
case "function":
return getFunction();
case "symmetry":
return getSymmetry();
case "diffrn_standards":
return getDiffrnStandards();
case "cell_angle":
return getCellAngle();
case "chem_comp_bond":
return getChemCompBond();
case "symmetry_equiv":
return getSymmetryEquiv();
case "publ_manuscript_incl":
return getPublManuscriptIncl();
case "atom_site_anisotrop":
return getAtomSiteAnisotrop();
default:
return new DelegatingCategory(category);
}
}
/**
* The CIF_CORE group contains the definitions of data items that
* are common to all domains of crystallographic studies.
* @return CifCore
*/
public CifCore getCifCore() {
return new CifCore(this);
}
/**
* The DICTIONARY group encompassing the CORE DIFFRACTION data items defined
* and used with in the Crystallographic Information Framework (CIF).
* @return Diffraction
*/
public Diffraction getDiffraction() {
return new Diffraction(this);
}
/**
* The CATEGORY of data items used to describe the diffraction experiment.
* @return Diffrn
*/
public Diffrn getDiffrn() {
return new Diffrn(this);
}
/**
* The CATEGORY of data items which specify the attenuators used in the
* diffraction source.
* @return DiffrnAttenuator
*/
public DiffrnAttenuator getDiffrnAttenuator() {
return new DiffrnAttenuator(this);
}
/**
* The CATEGORY of data items which specify the detectors used in the
* in the measurement of diffraction intensities.
* @return DiffrnDetector
*/
public DiffrnDetector getDiffrnDetector() {
return new DiffrnDetector(this);
}
/**
* The CATEGORY of data items which specify the details of the
* diffraction measurement.
* @return DiffrnMeasurement
*/
public DiffrnMeasurement getDiffrnMeasurement() {
return new DiffrnMeasurement(this);
}
/**
* The CATEGORY of data items which specify the orientation of the crystal
* axes to the diffractometer goniometer.
* @return DiffrnOrient
*/
public DiffrnOrient getDiffrnOrient() {
return new DiffrnOrient(this);
}
/**
* The CATEGORY of data items which specify the matrix specifying the
* orientation of the crystal axes to the diffractometer goniometer.
* @return DiffrnOrientMatrix
*/
public DiffrnOrientMatrix getDiffrnOrientMatrix() {
return new DiffrnOrientMatrix(this);
}
/**
* The CATEGORY of data items which specify the reflections used to
* calculate the matrix which gives the orientation of the crystal
* axes to the diffractometer goniometer.
* @return DiffrnOrientRefln
*/
public DiffrnOrientRefln getDiffrnOrientRefln() {
return new DiffrnOrientRefln(this);
}
/**
* The CATEGORY of data items which specify the wavelength of the
* radiation used in measuring diffraction intensities. Items may be
* looped to identify and assign weights to distinct wavelength
* components from a polychromatic beam.
* @return DiffrnRadiation
*/
public DiffrnRadiation getDiffrnRadiation() {
return new DiffrnRadiation(this);
}
/**
* The CATEGORY of data items which specify the wavelength of the
* radiation used in measuring diffraction intensities. Items may be
* looped to identify and assign weights to distinct wavelength
* components from a polychromatic beam.
* @return DiffrnRadiationWavelength
*/
public DiffrnRadiationWavelength getDiffrnRadiationWavelength() {
return new DiffrnRadiationWavelength(this);
}
/**
* The CATEGORY of data items which specify the reflection measurements,
* prior to data reduction and merging.
* @return DiffrnRefln
*/
public DiffrnRefln getDiffrnRefln() {
return new DiffrnRefln(this);
}
/**
* The CATEGORY of data items which specify the overall reflection
* measurement information.
* @return DiffrnReflns
*/
public DiffrnReflns getDiffrnReflns() {
return new DiffrnReflns(this);
}
/**
* The CATEGORY of data items which specify different classes of
* reflections in the raw measured diffraction data.
* @return DiffrnReflnsClass
*/
public DiffrnReflnsClass getDiffrnReflnsClass() {
return new DiffrnReflnsClass(this);
}
/**
* The CATEGORY of data items which specify the elements of the matrix
* used to transform the reflection indices _diffrn_refln.hkl
* into _refln.hkl.
* |11 12 13|
* (h k l) diffraction |21 22 23| = (h' k' l')
* |31 32 33|
* @return DiffrnReflnsTransfMatrix
*/
public DiffrnReflnsTransfMatrix getDiffrnReflnsTransfMatrix() {
return new DiffrnReflnsTransfMatrix(this);
}
/**
* The CATEGORY of data items which specify the groups of reflections in
* the raw measured diffraction data with different relative scales.
* @return DiffrnScaleGroup
*/
public DiffrnScaleGroup getDiffrnScaleGroup() {
return new DiffrnScaleGroup(this);
}
/**
* The CATEGORY of data items which specify information about the
* radiation source.
* @return DiffrnSource
*/
public DiffrnSource getDiffrnSource() {
return new DiffrnSource(this);
}
/**
* The CATEGORY of data items which specify information about the
* standard reflections used in the diffraction measurement process.
* @return DiffrnStandard
*/
public DiffrnStandard getDiffrnStandard() {
return new DiffrnStandard(this);
}
/**
* The CATEGORY of data items which specify the "standard" reflections
* measured repeatedly to monitor variations in intensity due to source
* flux, environment conditions or crystal quality.
* @return DiffrnStandardRefln
*/
public DiffrnStandardRefln getDiffrnStandardRefln() {
return new DiffrnStandardRefln(this);
}
/**
* The CATEGORY of data items used to describe the reflection data
* used in the refinement of a crystallographic structure model.
* @return Refln
*/
public Refln getRefln() {
return new Refln(this);
}
/**
* The CATEGORY of data items used to specify parameters for the complete
* set of reflections used in the structure refinement process. Note that
* these parameters are often similar measures to those defined in the
* DIFFRN categories, but differ in that the parameters refer to the
* reduced/transformed reflections which have been used to refine the
* atom site data in the ATOM_SITE category. The DIFFRN definitions refer
* to the diffraction measurements and the raw reflection data.
* @return Reflns
*/
public Reflns getReflns() {
return new Reflns(this);
}
/**
* The CATEGORY of data items which specify the properties of reflections
* in specific classes of reflections.
* @return ReflnsClass
*/
public ReflnsClass getReflnsClass() {
return new ReflnsClass(this);
}
/**
* The CATEGORY of data items which specify the scales needed to place
* measured structure factor coefficients on the same absolute scale.
* @return ReflnsScale
*/
public ReflnsScale getReflnsScale() {
return new ReflnsScale(this);
}
/**
* The CATEGORY of data items which specify the information about
* reflections divided into shells bounded by d resolution limits.
* @return ReflnsShell
*/
public ReflnsShell getReflnsShell() {
return new ReflnsShell(this);
}
/**
* The CATEGORY of data items used to specify the experimental work
* prior to diffraction measurements. These include crystallization
* crystal measurements and absorption-correction techniques used..
* @return Exptl
*/
public Exptl getExptl() {
return new Exptl(this);
}
/**
* The CATEGORY of data items used to describe the parameters of
* the crystal unit cell and their measurement.
* @return Cell
*/
public Cell getCell() {
return new Cell(this);
}
/**
* The CATEGORY of data items used to describe the angles between
* the axes in the crystal unit cell.
* @return CellMeasurement
*/
public CellMeasurement getCellMeasurement() {
return new CellMeasurement(this);
}
/**
* The CATEGORY of data items used to describe the reflection data
* used in the measurement of the crystal unit cell.
* @return CellMeasurementRefln
*/
public CellMeasurementRefln getCellMeasurementRefln() {
return new CellMeasurementRefln(this);
}
/**
* The CATEGORY of data items which describe the composition and
* chemical properties of the compound under study. The formula data
* items must be consistent with the density, unit-cell and Z values.
* @return Chemical
*/
public Chemical getChemical() {
return new Chemical(this);
}
/**
* The CATEGORY of data items which describe the 2D chemical structure of
* the molecular species. They allow a 2D chemical diagram to be
* reconstructed for use in a publication or in a database search
* for structural and substructural relationships. In particular,
* the chemical_conn_atom data items provide information about the
* chemical properties of the atoms in the structure. In cases
* where crystallographic and molecular symmetry elements coincide
* they must also contain symmetry-generated atoms, so as to describe
* a complete chemical entity.
* @return ChemicalConnAtom
*/
public ChemicalConnAtom getChemicalConnAtom() {
return new ChemicalConnAtom(this);
}
/**
* The CATEGORY of data items which specify the connections between
* the atoms sites in the chemical_conn_atom list and the nature
* of the chemical bond between these atoms. These are details about
* the two-dimensional (2D) chemical structure of the molecular species.
* They allow a 2D chemical diagram to be reconstructed for use in a
* publication or in a database search for structural and substructural
* relationships.
* @return ChemicalConnBond
*/
public ChemicalConnBond getChemicalConnBond() {
return new ChemicalConnBond(this);
}
/**
* The CATEGORY of data items which specify the composition and chemical
* properties of the compound. The formula data items must agree
* with those that specify the density, unit-cell and Z values.
*
* The following rules apply to the construction of the data items
* _chemical_formula.analytical, *.structural and *.sum. For the
* data item *.moiety the formula construction is broken up into
* residues or moieties, i.e. groups of atoms that form a molecular
* unit or molecular ion. The rules given below apply within each
* moiety but different requirements apply to the way that moieties
* are connected (see _chemical_formula.moiety).
*
* 1. Only recognized element symbols may be used.
*
* 2. Each element symbol is followed by a 'count' number. A count of
* '1' may be omitted.
*
* 3. A space or parenthesis must separate each cluster of (element
* symbol + count).
*
* 4. Where a group of elements is enclosed in parentheses, the
* multiplier for the group must follow the closing parentheses.
* That is, all element and group multipliers are assumed to be
* printed as subscripted numbers. [An exception to this rule
* exists for *.moiety formulae where pre- and post-multipliers
* are permitted for molecular units].
*
* 5. Unless the elements are ordered in a manner that corresponds to
* their chemical structure, as in _chemical_formula.structural,
* the order of the elements within any group or moiety
* depends on whether or not carbon is present. If carbon is
* present, the order should be: C, then H, then the other
* elements in alphabetical order of their symbol. If carbon is
* not present, the elements are listed purely in alphabetic order
* of their symbol. This is the 'Hill' system used by Chemical
* Abstracts. This ordering is used in _chemical_formula.moiety
* and _chemical_formula.sum.
*
* _chemical_formula.IUPAC '[Mo (C O)4 (C18 H33 P)2]'
* _chemical_formula.moiety 'C40 H66 Mo O4 P2'
* _chemical_formula.structural '((C O)4 (P (C6 H11)3)2)Mo'
* _chemical_formula.sum 'C40 H66 Mo O4 P2'
* _chemical_formula.weight 768.81
* @return ChemicalFormula
*/
public ChemicalFormula getChemicalFormula() {
return new ChemicalFormula(this);
}
/**
* The CATEGORY of data items used to specify the experimental details
* of the absorption measurements and corrections to the diffraction
* data.
* @return ExptlAbsorpt
*/
public ExptlAbsorpt getExptlAbsorpt() {
return new ExptlAbsorpt(this);
}
/**
* The CATEGORY of data items used to specify information about
* crystals used in the diffraction measurements.
* @return ExptlCrystal
*/
public ExptlCrystal getExptlCrystal() {
return new ExptlCrystal(this);
}
/**
* The CATEGORY of ENUMERATION items used to specify information about the
* crystal colour and appearance.
* @return ExptlCrystalAppearance
*/
public ExptlCrystalAppearance getExptlCrystalAppearance() {
return new ExptlCrystalAppearance(this);
}
/**
* The CATEGORY of data items which specify the dimensions of the
* crystal used in the diffraction measurements.
* @return ExptlCrystalFace
*/
public ExptlCrystalFace getExptlCrystalFace() {
return new ExptlCrystalFace(this);
}
/**
* The CATEGORY of data items used to specify space group
* information about the crystal used in the diffraction measurements.
*
* Space-group types are identified by their number as listed in
* International Tables for Crystallography Volume A, or by their
* Schoenflies symbol. Specific settings of the space groups can
* be identified by their Hall symbol, by specifying their
* symmetry operations or generators, or by giving the
* transformation that relates the specific setting to the
* reference setting based on International Tables Volume A and
* stored in this dictionary.
*
* The commonly used Hermann-Mauguin symbol determines the
* space-group type uniquely but several different Hermann-Mauguin
* symbols may refer to the same space-group type. A
* Hermann-Mauguin symbol contains information on the choice of
* the basis, but not on the choice of origin.
*
* Ref: International Tables for Crystallography (2002). Volume A,
* Space-group symmetry, edited by Th. Hahn, 5th ed.
* Dordrecht: Kluwer Academic Publishers.
* @return SpaceGroup
*/
public SpaceGroup getSpaceGroup() {
return new SpaceGroup(this);
}
/**
* The CATEGORY of data items used to list generators for
* the space group
* @return SpaceGroupGenerator
*/
public SpaceGroupGenerator getSpaceGroupGenerator() {
return new SpaceGroupGenerator(this);
}
/**
* The CATEGORY of data items used to describe symmetry equivalent sites
* in the crystal unit cell.
* @return SpaceGroupSymop
*/
public SpaceGroupSymop getSpaceGroupSymop() {
return new SpaceGroupSymop(this);
}
/**
* Contains information about Wyckoff positions of a space group.
* Only one site can be given for each special position but the
* remainder can be generated by applying the symmetry operations
* stored in _space_group_symop.operation_xyz.
* @return SpaceGroupWyckoff
*/
public SpaceGroupWyckoff getSpaceGroupWyckoff() {
return new SpaceGroupWyckoff(this);
}
/**
* Items in the MODEL Category specify data for the crystal structure
* postulated and modelled from the atomic coordinates derived and
* refined from the diffraction information. The structural model is
* described principally in terms of the geometry of the 'connected'
* atom sites and the crystal symmetry in which they reside.
* @return Model
*/
public Model getModel() {
return new Model(this);
}
/**
* The CATEGORY of data items used to specify the geometry
* of the structural model as derived from the atomic sites.
* The geometry is expressed in terms of the interatomic
* angles (GEOM_ANGLE data), covalent bond distances
* (GEOM_BOND data), contact distances (GEOM_CONTACT data),
* hydrogen bonds (GEOM_HBOND data) and torsion geometry
* (GEOM_TORSION data).
* Geometry data are usually redundant, in that they can be
* calculated from other more fundamental quantities in the data
* block. However, they serve the dual purposes of providing a
* check on the correctness of both sets of data and of enabling
* the most important geometric data to be identified for
* publication by setting the appropriate publication flag.
* @return Geom
*/
public Geom getGeom() {
return new Geom(this);
}
/**
* The CATEGORY of data items used to specify the geometry angles in the
* structural model as derived from the atomic sites.
* @return GeomAngle
*/
public GeomAngle getGeomAngle() {
return new GeomAngle(this);
}
/**
* The CATEGORY of data items used to specify the geometry bonds in the
* structural model as derived from the atomic sites.
* @return GeomBond
*/
public GeomBond getGeomBond() {
return new GeomBond(this);
}
/**
* The CATEGORY of data items used to specify the interatomic
* contact distances in the structural model.
* @return GeomContact
*/
public GeomContact getGeomContact() {
return new GeomContact(this);
}
/**
* The CATEGORY of data items used to specify the hydrogen bond
* distances in the structural model as derived from atomic sites.
* @return GeomHbond
*/
public GeomHbond getGeomHbond() {
return new GeomHbond(this);
}
/**
* The CATEGORY of data items used to specify the torsion angles in the
* structural model as derived from the atomic sites.
* @return GeomTorsion
*/
public GeomTorsion getGeomTorsion() {
return new GeomTorsion(this);
}
/**
* The CATEGORY of data items used to describe atomic sites and
* connections in the proposed atomic model.
* @return ModelSite
*/
public ModelSite getModelSite() {
return new ModelSite(this);
}
/**
* The CATEGORY of items used to specify bond valence parameters
* used to calculate bond valences from bond lengths.
* @return Valence
*/
public Valence getValence() {
return new Valence(this);
}
/**
* The CATEGORY of items for listing bond valences.
* @return ValenceParam
*/
public ValenceParam getValenceParam() {
return new ValenceParam(this);
}
/**
* The CATEGORY of items for listing valence references.
* @return ValenceRef
*/
public ValenceRef getValenceRef() {
return new ValenceRef(this);
}
/**
* The DICTIONARY group encompassing the CORE PUBLICATION data items defined
* and used with in the Crystallographic Information Framework (CIF).
* @return Publication
*/
public Publication getPublication() {
return new Publication(this);
}
/**
* The CATEGORY of data items used to record details about the
* creation and subsequent updating of the data block.
* @return Audit
*/
public Audit getAudit() {
return new Audit(this);
}
/**
* The CATEGORY of data items used for author(s) details.
* @return AuditAuthor
*/
public AuditAuthor getAuditAuthor() {
return new AuditAuthor(this);
}
/**
* The CATEGORY of data items used to describe the role that
* authors took in the production of the dataset.
* @return AuditAuthorRole
*/
public AuditAuthorRole getAuditAuthorRole() {
return new AuditAuthorRole(this);
}
/**
* The CATEGORY of data items used describe dictionary versions
* by which data names in the current data block are conformant.
* @return AuditConform
*/
public AuditConform getAuditConform() {
return new AuditConform(this);
}
/**
* The CATEGORY of data items used for contact author(s) details.
* @return AuditContactAuthor
*/
public AuditContactAuthor getAuditContactAuthor() {
return new AuditContactAuthor(this);
}
/**
* The CATEGORY of data items used to record details about the
* relationships between data blocks in the current CIF.
* @return AuditLink
*/
public AuditLink getAuditLink() {
return new AuditLink(this);
}
/**
* Data items in the AUDIT_SUPPORT category record details about the
* funding support for the data collected and analysed in the data set.
* @return AuditSupport
*/
public AuditSupport getAuditSupport() {
return new AuditSupport(this);
}
/**
* Data items in the CITATION category record details about the
* literature cited as being relevant to the contents of the data
* block.
* @return Citation
*/
public Citation getCitation() {
return new Citation(this);
}
/**
* Category of items describing citation author(s) details.
* @return CitationAuthor
*/
public CitationAuthor getCitationAuthor() {
return new CitationAuthor(this);
}
/**
* Category of items describing citation editor(s) details.
* @return CitationEditor
*/
public CitationEditor getCitationEditor() {
return new CitationEditor(this);
}
/**
* The CATEGORY of data items used to record details of the
* computer programs used in the crystal structure analysis.
* @return Computing
*/
public Computing getComputing() {
return new Computing(this);
}
/**
* The CATEGORY of data items recording database deposition.
* @return Database
*/
public Database getDatabase() {
return new Database(this);
}
/**
* The CATEGORY of data items recording database deposition. These data items
* are assigned by database managers and should only appear in a CIF if they
* originate from that source.
* @return DatabaseCode
*/
public DatabaseCode getDatabaseCode() {
return new DatabaseCode(this);
}
/**
* A category of items recording entries in databases that describe
* the same or related data. Databases wishing to insert their own
* canonical codes when archiving and delivering data blocks should
* use items from the DATABASE category.
* @return DatabaseRelated
*/
public DatabaseRelated getDatabaseRelated() {
return new DatabaseRelated(this);
}
/**
* The CATEGORY of data items used to enumerate the display
* parameters used in the discipline.
* @return Display
*/
public Display getDisplay() {
return new Display(this);
}
/**
* The CATEGORY of data items used to enumerate the display
* colour codes used in the discipline.
* @return DisplayColour
*/
public DisplayColour getDisplayColour() {
return new DisplayColour(this);
}
/**
* Category of items recording details about the book-keeping
* by the journal staff when processing a CIF submitted for
* publication. The creator of a CIF will not normally specify
* these data items.
* @return Journal
*/
public Journal getJournal() {
return new Journal(this);
}
/**
* Category of items recording coeditor details.
* @return JournalCoeditor
*/
public JournalCoeditor getJournalCoeditor() {
return new JournalCoeditor(this);
}
/**
* Category of items recording dates of publication processing.
* @return JournalDate
*/
public JournalDate getJournalDate() {
return new JournalDate(this);
}
/**
* Category of items describing publication indices.
* @return JournalIndex
*/
public JournalIndex getJournalIndex() {
return new JournalIndex(this);
}
/**
* Category of items recording details of the technical editor
* processing this publication.
* @return JournalTecheditor
*/
public JournalTecheditor getJournalTecheditor() {
return new JournalTecheditor(this);
}
/**
* Data items in the PUBL category are used when submitting a
* manuscript for publication. They refer either to the paper as
* a whole, or to specific named elements within a paper (such as
* the title and abstract, or the Comment and Experimental
* sections of Acta Crystallographica Section C). The data items
* in the PUBL_BODY category should be used for the textual
* content of other submissions. Typically, each journal will
* supply a list of the specific items it requires in its Notes
* for Authors.
* @return Publ
*/
public Publ getPubl() {
return new Publ(this);
}
/**
* Category of data items recording the author information.
* @return PublAuthor
*/
public PublAuthor getPublAuthor() {
return new PublAuthor(this);
}
/**
* Data items in the PUBL_BODY category permit labelling of
* different text sections within the body of a submitted paper.
* Note that these should not be used in a paper which has
* a standard format with sections tagged by specific data names
* (such as in Acta Crystallographica Section C). Typically,
* each journal will supply a list of the specific items it
* requires in its Notes for Authors.
* @return PublBody
*/
public PublBody getPublBody() {
return new PublBody(this);
}
/**
* Category of items describing contact author(s) details.
* @return PublContactAuthor
*/
public PublContactAuthor getPublContactAuthor() {
return new PublContactAuthor(this);
}
/**
* Category of items describing the publication manuscript.
* @return PublManuscript
*/
public PublManuscript getPublManuscript() {
return new PublManuscript(this);
}
/**
* Category of data items that allow the authors of a manuscript to
* submit for publication data names that should be added to the
* standard request list employed by journal printing software.
* Although these fields are primarily intended to identify CIF data
* items that the author wishes to include in a published paper, they
* can also be used to identify data names created so that non-CIF items
* can be included in the publication. Note that *.item names MUST be
* enclosed in single quotes.
* @return PublManuscriptInclExtra
*/
public PublManuscriptInclExtra getPublManuscriptInclExtra() {
return new PublManuscriptInclExtra(this);
}
/**
* CATEGORY of data items that enable the author to make
* specific requests to the journal office for processing.
* @return PublRequested
*/
public PublRequested getPublRequested() {
return new PublRequested(this);
}
/**
* Manuscript section data if submitted in parts. see also
* _publ_manuscript.text and _publ_manuscript.processed.
* The _publ_section.exptl_prep, _publ_section.exptl_refinement
* and _publ_section.exptl_solution items are preferred for
* separating the chemical preparation, refinement and structure
* solution aspects of the experimental description.
* @return PublSection
*/
public PublSection getPublSection() {
return new PublSection(this);
}
/**
* The DICTIONARY group encompassing the CORE STRUCTURE data items defined
* and used with in the Crystallographic Information Framework (CIF).
* @return Structure
*/
public Structure getStructure() {
return new Structure(this);
}
/**
* The CATEGORY of data items used to describe atomic information
* used in crystallographic structure studies.
* @return Atom
*/
public Atom getAtom() {
return new Atom(this);
}
/**
* The CATEGORY of data items used to describe atom site information
* used in crystallographic structure studies.
* @return AtomSite
*/
public AtomSite getAtomSite() {
return new AtomSite(this);
}
/**
* The CATEGORY of data items used to describe the anisotropic
* thermal parameters of the atomic sites in a crystal structure.
* @return AtomSiteAniso
*/
public AtomSiteAniso getAtomSiteAniso() {
return new AtomSiteAniso(this);
}
/**
* The CATEGORY of data items used to describe information which applies
* to all atom sites in a crystal structure.
* @return AtomSites
*/
public AtomSites getAtomSites() {
return new AtomSites(this);
}
/**
* The CATEGORY of data items used to describe the matrix elements
* used to transform fractional coordinates into Cartesian coordinates
* of all atom sites in a crystal structure.
* @return AtomSitesCartnTransform
*/
public AtomSitesCartnTransform getAtomSitesCartnTransform() {
return new AtomSitesCartnTransform(this);
}
/**
* The CATEGORY of data items used to describe the matrix elements
* used to transform Cartesian coordinates into fractional coordinates
* of all atom sites in a crystal structure.
* @return AtomSitesFractTransform
*/
public AtomSitesFractTransform getAtomSitesFractTransform() {
return new AtomSitesFractTransform(this);
}
/**
* The CATEGORY of data items used to describe atomic type information
* used in crystallographic structure studies.
* @return AtomType
*/
public AtomType getAtomType() {
return new AtomType(this);
}
/**
* The CATEGORY of data items used to describe atomic scattering
* information used in crystallographic structure studies.
* @return AtomTypeScat
*/
public AtomTypeScat getAtomTypeScat() {
return new AtomTypeScat(this);
}
/**
* The CATEGORY of data items used to specify information about the
* refinement of the structural model.
* @return Refine
*/
public Refine getRefine() {
return new Refine(this);
}
/**
* The CATEGORY of data items which specify the electron density limits
* in a difference Fourier map after the structure has been refined. The
* RMS value is with respect to the arithmetic mean density, and is derived
* from summations over each grid point in the asymmetric unit of the cell.
* @return RefineDiff
*/
public RefineDiff getRefineDiff() {
return new RefineDiff(this);
}
/**
* The CATEGORY of data items used to specify information about the
* refinement of the structural model.
* @return RefineLs
*/
public RefineLs getRefineLs() {
return new RefineLs(this);
}
/**
* The CATEGORY of data items used to specify information about the
* refinement of the structural model.
* @return RefineLsClass
*/
public RefineLsClass getRefineLsClass() {
return new RefineLsClass(this);
}
/**
* The crystallographic functions the invoked in the definition
* methods of CORE STRUCTURE data items defined and used with in
* the Crystallographic Information Framework (CIF).
* @return Function
*/
public Function getFunction() {
return new Function(this);
}
/**
*
* @return Symmetry
*/
public Symmetry getSymmetry() {
return new Symmetry(this);
}
/**
*
* @return DiffrnStandards
*/
public DiffrnStandards getDiffrnStandards() {
return new DiffrnStandards(this);
}
/**
*
* @return CellAngle
*/
public CellAngle getCellAngle() {
return new CellAngle(this);
}
/**
*
* @return ChemCompBond
*/
public ChemCompBond getChemCompBond() {
return new ChemCompBond(this);
}
/**
*
* @return SymmetryEquiv
*/
public SymmetryEquiv getSymmetryEquiv() {
return new SymmetryEquiv(this);
}
/**
*
* @return PublManuscriptIncl
*/
public PublManuscriptIncl getPublManuscriptIncl() {
return new PublManuscriptIncl(this);
}
/**
*
* @return AtomSiteAnisotrop
*/
public AtomSiteAnisotrop getAtomSiteAnisotrop() {
return new AtomSiteAnisotrop(this);
}
}
