molstar 3.0.1 → 3.0.2

package/lib/commonjs/mol-io/reader/cif/schema/cif-core.js

@@ -0,0 +1,750 @@
+"use strict";
+/**
+ * Copyright (c) 2017-2020 mol* contributors, licensed under MIT, See LICENSE file for more info.
+ *
+ * Code-generated 'CifCore' schema file. Dictionary versions: CifCore 3.1.0.
+ *
+ * @author molstar/ciftools package
+ */
+Object.defineProperty(exports, "__esModule", { value: true });
+exports.CifCore_Aliases = exports.CifCore_Schema = void 0;
+var db_1 = require("../../../../mol-data/db");
+var Schema = db_1.Column.Schema;
+var float = Schema.float;
+var int = Schema.int;
+var str = Schema.str;
+var Matrix = Schema.Matrix;
+exports.CifCore_Schema = {
+    /**
+     * The CATEGORY of data items used to describe the parameters of
+     * the crystal unit cell and their measurement.
+     */
+    cell: {
+        /**
+         * The angle between the bounding cell axes.
+         */
+        angle_alpha: float,
+        /**
+         * The angle between the bounding cell axes.
+         */
+        angle_beta: float,
+        /**
+         * The angle between the bounding cell axes.
+         */
+        angle_gamma: float,
+        /**
+         * The number of the formula units in the unit cell as specified
+         * by _chemical_formula.structural, _chemical_formula.moiety or
+         * _chemical_formula.sum.
+         */
+        formula_units_z: int,
+        /**
+         * The length of each cell axis.
+         */
+        length_a: float,
+        /**
+         * The length of each cell axis.
+         */
+        length_b: float,
+        /**
+         * The length of each cell axis.
+         */
+        length_c: float,
+        /**
+         * Volume of the crystal unit cell.
+         */
+        volume: float,
+    },
+    /**
+     * 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.
+     */
+    chemical: {
+        /**
+         * The temperature at which a crystalline solid changes to a liquid.
+         */
+        melting_point: float,
+        /**
+         * Trivial name by which the compound is commonly known.
+         */
+        name_common: str,
+        /**
+         * IUPAC or Chemical Abstracts full name of compound.
+         */
+        name_systematic: str,
+    },
+    /**
+     * 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
+     */
+    chemical_formula: {
+        /**
+         * Formula with each discrete bonded residue or ion shown as a
+         * separate moiety. See above CHEMICAL_FORMULA for rules
+         * for writing chemical formulae. In addition to the general
+         * formulae requirements, the following rules apply:
+         * 1. Moieties are separated by commas ','.
+         * 2. The order of elements within a moiety follows general rule
+         * 5 in CHEMICAL_FORMULA.
+         * 3. Parentheses are not used within moieties but may surround
+         * a moiety. Parentheses may not be nested.
+         * 4. Charges should be placed at the end of the moiety. The
+         * Singlege '+' or '-' may be preceded by a numerical multiplier
+         * and should be separated from the last (element symbol +
+         * count) by a space. Pre- or post-multipliers may be used for
+         * individual moieties.
+         */
+        moiety: str,
+        /**
+         * Chemical formulae in which all discrete bonded residues and ions are
+         * summed over the constituent elements, following the ordering given
+         * in rule 5 of the CATEGORY description. Parentheses normally not used.
+         */
+        sum: str,
+        /**
+         * Mass corresponding to the formulae _chemical_formula.structural,
+         * *_IUPAC, *_moiety or *_sum and, together with the Z value and cell
+         * parameters yield the density given as _exptl_crystal.density_diffrn.
+         */
+        weight: float,
+    },
+    /**
+     * 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.
+     */
+    space_group: {
+        /**
+         * The name of the system of geometric crystal classes of space
+         * groups (crystal system) to which the space group belongs.
+         * Note that rhombohedral space groups belong to the
+         * trigonal system.
+         */
+        crystal_system: str,
+        /**
+         * The number as assigned in International Tables for Crystallography
+         * Vol. A, specifying the proper affine class (i.e. the orientation
+         * preserving affine class) of space groups (crystallographic space
+         * group type) to which the space group belongs. This number defines
+         * the space group type but not the coordinate system expressed.
+         */
+        it_number: int,
+        /**
+         * The full international Hermann-Mauguin space-group symbol as
+         * defined in Section 2.2.3 and given as the second item of the
+         * second line of each of the space-group tables of Part 7 of
+         * International Tables for Crystallography Volume A (2002).
+         *
+         * Each component of the space-group name is separated by a
+         * space or an underscore character. The use of a space is
+         * strongly recommended.  The underscore is only retained
+         * because it was used in old CIFs. It should not be used in
+         * new CIFs.
+         *
+         * Subscripts should appear without special symbols. Bars should
+         * be given as negative signs before the numbers to which they
+         * apply. The commonly used Hermann-Mauguin symbol determines the
+         * space-group type uniquely but a given space-group type may
+         * be described by more than one Hermann-Mauguin symbol. The
+         * space-group type is best described using
+         * _space_group.IT_number or _space_group.name_Schoenflies. The
+         * full international Hermann-Mauguin symbol contains information
+         * about the choice of basis for monoclinic and orthorhombic
+         * space groups but does not give information about the choice
+         * of origin. To define the setting uniquely use
+         * _space_group.name_Hall, or list the symmetry operations
+         * or generators.
+         *
+         * Ref: International Tables for Crystallography (2002). Volume A,
+         * Space-group symmetry, edited by Th. Hahn, 5th ed.
+         * Dordrecht: Kluwer Academic Publishers.
+         */
+        'name_h-m_full': str,
+    },
+    /**
+     * The CATEGORY of data items used to describe symmetry equivalent sites
+     * in the crystal unit cell.
+     */
+    space_group_symop: {
+        /**
+         * A parsable string giving one of the symmetry operations of the
+         * space group in algebraic form.  If W is a matrix representation
+         * of the rotational part of the symmetry operation defined by the
+         * positions and signs of x, y and z, and w is a column of
+         * translations defined by fractions, an equivalent position
+         * X' is generated from a given position X by the equation
+         *
+         * X' = WX + w
+         *
+         * (Note: X is used to represent bold_italics_x in International
+         * Tables for Crystallography Vol. A, Part 5)
+         *
+         * When a list of symmetry operations is given, it must contain
+         * a complete set of coordinate representatives which generates
+         * all the operations of the space group by the addition of
+         * all primitive translations of the space group. Such
+         * representatives are to be found as the coordinates of
+         * the general-equivalent position in International Tables for
+         * Crystallography Vol. A (2002), to which it is necessary to
+         * add any centring translations shown above the
+         * general-equivalent position.
+         *
+         * That is to say, it is necessary to list explicitly all the
+         * symmetry operations required to generate all the atoms in
+         * the unit cell defined by the setting used.
+         */
+        operation_xyz: str,
+    },
+    /**
+     * The CATEGORY of data items used to specify the geometry bonds in the
+     * structural model as derived from the atomic sites.
+     */
+    geom_bond: {
+        /**
+         * This label is a unique identifier for a particular site in the
+         * asymmetric unit of the crystal unit cell.
+         */
+        atom_site_label_1: str,
+        /**
+         * This label is a unique identifier for a particular site in the
+         * asymmetric unit of the crystal unit cell.
+         */
+        atom_site_label_2: str,
+        /**
+         * Intramolecular bond distance between the sites identified
+         * by _geom_bond.id
+         */
+        distance: float,
+        /**
+         * This code signals whether the angle is referred to in a
+         * publication or should be placed in a table of significant angles.
+         */
+        publ_flag: str,
+        /**
+         * The set of data items which specify the symmetry operation codes
+         * which must be applied to the atom sites involved in the geometry angle.
+         *
+         * The symmetry code of each atom site as the symmetry-equivalent position
+         * number 'n' and the cell translation number 'pqr'. These numbers are
+         * combined to form the code 'n pqr' or n_pqr.
+         *
+         * The character string n_pqr is composed as follows:
+         *
+         * n refers to the symmetry operation that is applied to the
+         * coordinates stored in _atom_site.fract_xyz. It must match a
+         * number given in _symmetry_equiv.pos_site_id.
+         *
+         * p, q and r refer to the translations that are subsequently
+         * applied to the symmetry transformed coordinates to generate
+         * the atom used in calculating the angle. These translations
+         * (x,y,z) are related to (p,q,r) by the relations
+         * p = 5 + x
+         * q = 5 + y
+         * r = 5 + z
+         */
+        site_symmetry_1: str,
+        /**
+         * The set of data items which specify the symmetry operation codes
+         * which must be applied to the atom sites involved in the geometry angle.
+         *
+         * The symmetry code of each atom site as the symmetry-equivalent position
+         * number 'n' and the cell translation number 'pqr'. These numbers are
+         * combined to form the code 'n pqr' or n_pqr.
+         *
+         * The character string n_pqr is composed as follows:
+         *
+         * n refers to the symmetry operation that is applied to the
+         * coordinates stored in _atom_site.fract_xyz. It must match a
+         * number given in _symmetry_equiv.pos_site_id.
+         *
+         * p, q and r refer to the translations that are subsequently
+         * applied to the symmetry transformed coordinates to generate
+         * the atom used in calculating the angle. These translations
+         * (x,y,z) are related to (p,q,r) by the relations
+         * p = 5 + x
+         * q = 5 + y
+         * r = 5 + z
+         */
+        site_symmetry_2: str,
+        /**
+         * Bond valence calculated from the bond distance.
+         */
+        valence: float,
+    },
+    /**
+     * The CATEGORY of data items used to record details about the
+     * creation and subsequent updating of the data block.
+     */
+    audit: {
+        /**
+         * The digital object identifier (DOI) registered to identify
+         * the data set publication represented by the current
+         * data block. This can be used as a unique identifier for
+         * the data block so long as the code used is a valid DOI
+         * (i.e. begins with a valid publisher prefix assigned by a
+         * Registration Agency and a suffix guaranteed to be unique
+         * by the publisher) and has had its metadata deposited
+         * with a DOI Registration Agency.
+         *
+         * A DOI is a unique character string identifying any
+         * object of intellectual property. It provides a
+         * persistent identifier for an object on a digital network
+         * and permits the association of related current data in a
+         * structured extensible way. A DOI is an implementation
+         * of the Internet concepts of Uniform Resource Name and
+         * Universal Resource Locator managed according to the
+         * specifications of the International DOI Foundation
+         * (see http://www.doi.org).
+         */
+        block_doi: str,
+    },
+    /**
+     * 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.
+     */
+    database_code: {
+        /**
+         * Code assigned by the Crystallography Open Database (COD).
+         */
+        cod: str,
+        /**
+         * Code assigned by the Cambridge Structural Database.
+         */
+        csd: str,
+        /**
+         * Deposition numbers assigned by the Cambridge Crystallographic
+         * Data Centre (CCDC) to files containing structural information
+         * archived by the CCDC.
+         */
+        depnum_ccdc_archive: str,
+        /**
+         * Deposition numbers assigned by the Fachinformationszentrum
+         * Karlsruhe (FIZ) to files containing structural information
+         * archived by the Cambridge Crystallographic Data Centre (CCDC).
+         */
+        depnum_ccdc_fiz: str,
+        /**
+         * Code assigned by the Inorganic Crystal Structure Database.
+         */
+        icsd: str,
+        /**
+         * Code assigned in the Metals Data File.
+         */
+        mdf: str,
+        /**
+         * Code assigned by the NBS (NIST) Crystal Data Database.
+         */
+        nbs: str,
+    },
+    /**
+     * The CATEGORY of data items used to describe atom site information
+     * used in crystallographic structure studies.
+     */
+    atom_site: {
+        /**
+         * Code for type of atomic displacement parameters used for the site.
+         */
+        adp_type: str,
+        /**
+         * A standard code to signal if the site coordinates have been
+         * determined from the intensities or calculated from the geometry
+         * of surrounding sites, or have been assigned dummy coordinates.
+         */
+        calc_flag: str,
+        /**
+         * A code which identifies a cluster of atoms that show long range
+         * positional disorder but are locally ordered. Within each such
+         * cluster of atoms, _atom_site.disorder_group is used to identify
+         * the sites that are simultaneously occupied. This field is only
+         * needed if there is more than one cluster of disordered atoms
+         * showing independent local order.
+         */
+        disorder_assembly: str,
+        /**
+         * A code that identifies a group of positionally disordered atom
+         * sites that are locally simultaneously occupied. Atoms that are
+         * positionally disordered over two or more sites (e.g. the H
+         * atoms of a methyl group that exists in two orientations) can
+         * be assigned to two or more groups. Sites belonging to the same
+         * group are simultaneously occupied, but those belonging to
+         * different groups are not. A minus prefix (e.g. "-1") is used to
+         * indicate sites disordered about a special position.
+         */
+        disorder_group: str,
+        /**
+         * Atom site coordinates as fractions of the cell length values.
+         */
+        fract_x: float,
+        /**
+         * Atom site coordinates as fractions of the cell length values.
+         */
+        fract_y: float,
+        /**
+         * Atom site coordinates as fractions of the cell length values.
+         */
+        fract_z: float,
+        /**
+         * This label is a unique identifier for a particular site in the
+         * asymmetric unit of the crystal unit cell. It is made up of
+         * components, _atom_site.label_component_0 to *_6, which may be
+         * specified as separate data items. Component 0 usually matches one
+         * of the specified _atom_type.symbol codes. This is not mandatory
+         * if an _atom_site.type_symbol item is included in the atom site
+         * list. The _atom_site.type_symbol always takes precedence over
+         * an _atom_site.label in the identification of the atom type. The
+         * label components 1 to 6 are optional, and normally only
+         * components 0 and 1 are used. Note that components 0 and 1 are
+         * concatenated, while all other components, if specified, are
+         * separated by an underline character. Underline separators are
+         * only used if higher-order components exist. If an intermediate
+         * component is not used it may be omitted provided the underline
+         * separators are inserted. For example the label 'C233__ggg' is
+         * acceptable and represents the components C, 233, '', and ggg.
+         * Each label may have a different number of components.
+         */
+        label: str,
+        /**
+         * The fraction of the atom type present at this site.
+         * The sum of the occupancies of all the atom types at this site
+         * may not significantly exceed 1.0 unless it is a dummy site. The
+         * value must lie in the 99.97% Gaussian confidence interval
+         * -3u =< x =< 1 + 3u. The _enumeration.range of 0.0:1.0 is thus
+         * correctly interpreted as meaning (0.0 - 3u) =< x =< (1.0 + 3u).
+         */
+        occupancy: float,
+        /**
+         * A concatenated series of single-letter codes which indicate the
+         * refinement restraints or constraints applied to this site. This
+         * item should not be used. It has been replaced by
+         * _atom_site.refinement_flags_posn, _ADP and _occupancy. It is
+         * retained in this dictionary only to provide compatibility with
+         * legacy CIFs.
+         */
+        refinement_flags: str,
+        /**
+         * The number of different sites that are generated by the
+         * application of the space-group symmetry to the coordinates
+         * given for this site. It is equal to the multiplicity given
+         * for this Wyckoff site in International Tables for Cryst.
+         * Vol. A (2002). It is equal to the multiplicity of the general
+         * position divided by the order of the site symmetry given in
+         * _atom_site.site_symmetry_order.
+         */
+        site_symmetry_multiplicity: int,
+        /**
+         * A code to identify the atom specie(s) occupying this site.
+         * This code must match a corresponding _atom_type.symbol. The
+         * specification of this code is optional if component_0 of the
+         * _atom_site.label is used for this purpose. See _atom_type.symbol.
+         */
+        type_symbol: str,
+        /**
+         * Isotropic atomic displacement parameter, or equivalent isotropic
+         * atomic  displacement parameter, U(equiv), in angstroms squared,
+         * calculated from anisotropic atomic displacement  parameters.
+         *
+         * U(equiv) = (1/3) sum~i~[sum~j~(U^ij^ a*~i~ a*~j~ a~i~.a~j~)]
+         *
+         * a  = the real-space cell vectors
+         * a* = the reciprocal-space cell lengths
+         * Ref: Fischer, R. X. & Tillmanns, E. (1988). Acta Cryst. C44, 775-776.
+         */
+        u_iso_or_equiv: float,
+    },
+    /**
+     * The CATEGORY of data items used to describe the anisotropic
+     * thermal parameters of the atomic sites in a crystal structure.
+     */
+    atom_site_aniso: {
+        /**
+         * Anisotropic atomic displacement parameters are usually looped in
+         * a separate list. If this is the case, this code must match the
+         * _atom_site.label of the associated atom in the atom coordinate
+         * list and conform with the same rules described in _atom_site.label.
+         */
+        label: str,
+        /**
+         * These are the standard anisotropic atomic displacement
+         * components in angstroms squared which appear in the
+         * structure factor term:
+         *
+         * T = exp{-2pi^2^ sum~i~ [sum~j~ (U^ij^ h~i~ h~j~ a*~i~ a*~j~) ] }
+         *
+         * h = the Miller indices
+         * a* = the reciprocal-space cell lengths
+         *
+         * The unique elements of the real symmetric matrix are entered by row.
+         */
+        u_11: float,
+        /**
+         * These are the standard anisotropic atomic displacement
+         * components in angstroms squared which appear in the
+         * structure factor term:
+         *
+         * T = exp{-2pi^2^ sum~i~ [sum~j~ (U^ij^ h~i~ h~j~ a*~i~ a*~j~) ] }
+         *
+         * h = the Miller indices
+         * a* = the reciprocal-space cell lengths
+         *
+         * The unique elements of the real symmetric matrix are entered by row.
+         */
+        u: Matrix(3, 3),
+        /**
+         * These are the standard anisotropic atomic displacement
+         * components in angstroms squared which appear in the
+         * structure factor term:
+         *
+         * T = exp{-2pi^2^ sum~i~ [sum~j~ (U^ij^ h~i~ h~j~ a*~i~ a*~j~) ] }
+         *
+         * h = the Miller indices
+         * a* = the reciprocal-space cell lengths
+         *
+         * The unique elements of the real symmetric matrix are entered by row.
+         */
+        u_12: float,
+        /**
+         * These are the standard anisotropic atomic displacement
+         * components in angstroms squared which appear in the
+         * structure factor term:
+         *
+         * T = exp{-2pi^2^ sum~i~ [sum~j~ (U^ij^ h~i~ h~j~ a*~i~ a*~j~) ] }
+         *
+         * h = the Miller indices
+         * a* = the reciprocal-space cell lengths
+         *
+         * The unique elements of the real symmetric matrix are entered by row.
+         */
+        u_13: float,
+        /**
+         * These are the standard anisotropic atomic displacement
+         * components in angstroms squared which appear in the
+         * structure factor term:
+         *
+         * T = exp{-2pi^2^ sum~i~ [sum~j~ (U^ij^ h~i~ h~j~ a*~i~ a*~j~) ] }
+         *
+         * h = the Miller indices
+         * a* = the reciprocal-space cell lengths
+         *
+         * The unique elements of the real symmetric matrix are entered by row.
+         */
+        u_22: float,
+        /**
+         * These are the standard anisotropic atomic displacement
+         * components in angstroms squared which appear in the
+         * structure factor term:
+         *
+         * T = exp{-2pi^2^ sum~i~ [sum~j~ (U^ij^ h~i~ h~j~ a*~i~ a*~j~) ] }
+         *
+         * h = the Miller indices
+         * a* = the reciprocal-space cell lengths
+         *
+         * The unique elements of the real symmetric matrix are entered by row.
+         */
+        u_23: float,
+        /**
+         * These are the standard anisotropic atomic displacement
+         * components in angstroms squared which appear in the
+         * structure factor term:
+         *
+         * T = exp{-2pi^2^ sum~i~ [sum~j~ (U^ij^ h~i~ h~j~ a*~i~ a*~j~) ] }
+         *
+         * h = the Miller indices
+         * a* = the reciprocal-space cell lengths
+         *
+         * The unique elements of the real symmetric matrix are entered by row.
+         */
+        u_33: float,
+    },
+    /**
+     * The CATEGORY of data items used to describe atomic type information
+     * used in crystallographic structure studies.
+     */
+    atom_type: {
+        /**
+         * 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.
+         */
+        description: str,
+        /**
+         * 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.
+         */
+        symbol: str,
+    },
+    /**
+     * The CATEGORY of data items used to describe atomic scattering
+     * information used in crystallographic structure studies.
+     */
+    atom_type_scat: {
+        /**
+         * The imaginary component of the anomalous dispersion scattering factors
+         * for this atom type and radiation by _diffrn_radiation_wavelength.value
+         */
+        dispersion_imag: float,
+        /**
+         * The real component of the anomalous dispersion scattering factors
+         * for this atom type and radiation by _diffrn_radiation_wavelength.value
+         */
+        dispersion_real: float,
+        /**
+         * Reference to source of scattering factors used for this atom type.
+         */
+        source: str,
+    },
+};
+exports.CifCore_Aliases = {
+    'cell.formula_units_z': [
+        'cell_formula_units_Z',
+    ],
+    'space_group.it_number': [
+        'space_group_IT_number',
+        'symmetry_Int_Tables_number',
+    ],
+    'space_group.name_h-m_full': [
+        'symmetry_space_group_name_H-M',
+    ],
+    'space_group_symop.operation_xyz': [
+        'symmetry_equiv_pos_as_xyz',
+    ],
+    'geom_bond.atom_site_label_1': [
+        'geom_bond_atom_site_id_1',
+    ],
+    'geom_bond.atom_site_label_2': [
+        'geom_bond_atom_site_id_2',
+    ],
+    'geom_bond.distance': [
+        'geom_bond_dist',
+    ],
+    'audit.block_doi': [
+        'audit_block_DOI',
+    ],
+    'database_code.cod': [
+        'database_code_COD',
+    ],
+    'database_code.csd': [
+        'database_code_CSD',
+    ],
+    'database_code.depnum_ccdc_archive': [
+        'database_code_depnum_CCDC_archive',
+    ],
+    'database_code.depnum_ccdc_fiz': [
+        'database_code_depnum_CCDC_fiz',
+    ],
+    'database_code.icsd': [
+        'database_code_ICSD',
+    ],
+    'database_code.mdf': [
+        'database_code_MDF',
+    ],
+    'database_code.nbs': [
+        'database_code_NBS',
+    ],
+    'atom_site.adp_type': [
+        'atom_site_ADP_type',
+        'atom_site_thermal_displace_type',
+    ],
+    'atom_site.label': [
+        'atom_site_id',
+    ],
+    'atom_site.site_symmetry_multiplicity': [
+        'atom_site_symmetry_multiplicity',
+    ],
+    'atom_site.u_iso_or_equiv': [
+        'atom_site_U_iso_or_equiv',
+    ],
+    'atom_site_aniso.label': [
+        'atom_site_anisotrop_id',
+    ],
+    'atom_site_aniso.u_11': [
+        'atom_site_aniso_U_11',
+        'atom_site_anisotrop_U_11',
+    ],
+    'atom_site_aniso.u_12': [
+        'atom_site_aniso_U_12',
+        'atom_site_anisotrop_U_12',
+    ],
+    'atom_site_aniso.u_13': [
+        'atom_site_aniso_U_13',
+        'atom_site_anisotrop_U_13',
+    ],
+    'atom_site_aniso.u_22': [
+        'atom_site_aniso_U_22',
+        'atom_site_anisotrop_U_22',
+    ],
+    'atom_site_aniso.u_23': [
+        'atom_site_aniso_U_23',
+        'atom_site_anisotrop_U_23',
+    ],
+    'atom_site_aniso.u_33': [
+        'atom_site_aniso_U_33',
+        'atom_site_anisotrop_U_33',
+    ],
+};
+;
+//# sourceMappingURL=cif-core.js.map