diff --git a/Topology.dic b/Topology.dic index 2f5acac..f27cc60 100644 --- a/Topology.dic +++ b/Topology.dic @@ -5,34 +5,36 @@ # # ################################################################################ -data_TOPOLOGY_CIF +data_CIF_TOPO - _dictionary.title TOPOLOGY_CIF + _dictionary.title CIF_TOPO _dictionary.class Instance - _dictionary.version 0.9.6 - _dictionary.date 2024-05-15 + _dictionary.version 0.9.7 + _dictionary.date 2024-05-20 _dictionary.uri - https://raw.githubusercontent.com/COMCIFS/TopoCif/master/Topology.dic + https://raw.githubusercontent.com/COMCIFS/TopoCif/main/Topology.dic _dictionary.ddl_conformance 4.1.0 _dictionary.namespace CifCore _description.text ; - The Topology CIF dictionary provides data items for describing crystal + The CIF_TOPO dictionary provides data items for describing crystal structure topology. ; -save_TOPOLOGY +save_CIF_TOPO_HEAD - _definition.id TOPOLOGY + _definition.id CIF_TOPO_HEAD _definition.scope Category _definition.class Head - _definition.update 2024-05-15 + _definition.update 2024-05-20 _description.text ; - This category is the parent of all categories in the dictionary. + The CIF_TOPO_HEAD category is the top-level category for all categories + in the CIF_TOPO dictionary. Head categories from other dictionaries are + reparented to this category. ; - _name.category_id TOPOLOGY_CIF - _name.object_id TOPOLOGY + _name.category_id CIF_TOPO + _name.object_id CIF_TOPO_HEAD _import.get [{'file':cif_core.dic 'mode':Full 'save':CIF_CORE_HEAD}] @@ -44,7 +46,7 @@ save_TOPOL _definition.id TOPOL _definition.scope Category _definition.class Set - _definition.update 2021-09-27 + _definition.update 2024-05-20 _description.text ; The TOPOL category covers data on connectivity @@ -52,7 +54,7 @@ save_TOPOL related structural properties as calculated from the ATOM, CELL and SPACE_GROUP data. ; - _name.category_id TOPOLOGY + _name.category_id CIF_TOPO_HEAD _name.object_id TOPOL loop_ @@ -126,14 +128,14 @@ save_TOPOL_ATOM _definition.id TOPOL_ATOM _definition.scope Category _definition.class Loop - _definition.update 2021-08-29 + _definition.update 2024-05-20 _description.text ; The TOPOL_ATOM category provides information on the atoms of the initial structure that compose links or nodes of a net. The _topol_atom.atom_label value must match a value for _atom_site.label. ; - _name.category_id TOPOLOGY + _name.category_id CIF_TOPO_HEAD _name.object_id TOPOL_ATOM _category_key.name '_topol_atom.id' @@ -378,14 +380,14 @@ save_TOPOL_ENTANGL _definition.id TOPOL_ENTANGL _definition.scope Category _definition.class Set - _definition.update 2018-01-30 + _definition.update 2024-05-20 _description.text ; The TOPOL_ENTANGL category describes entanglements in the underlying net. This category is a placeholder for future development of descriptions of entanglement. ; - _name.category_id TOPOLOGY + _name.category_id CIF_TOPO_HEAD _name.object_id TOPOL_ENTANGL save_ @@ -395,7 +397,7 @@ save_TOPOL_LINK _definition.id TOPOL_LINK _definition.scope Category _definition.class Loop - _definition.update 2021-10-11 + _definition.update 2024-05-20 _description.text ; The TOPOL_LINK category describes the crystal structure @@ -421,7 +423,7 @@ save_TOPOL_LINK analysis of crystal structures. Acta Cryst. A62, 356-364, DOI:10.1107/S0108767306025591. ; - _name.category_id TOPOLOGY + _name.category_id CIF_TOPO_HEAD _name.object_id TOPOL_LINK _category_key.name '_topol_link.id' @@ -948,7 +950,7 @@ save_TOPOL_NET _definition.id TOPOL_NET _definition.scope Category _definition.class Loop - _definition.update 2021-09-15 + _definition.update 2024-05-20 _description.text ; The TOPOL_NET category describes an atomic network or underlying net. @@ -958,7 +960,7 @@ save_TOPOL_NET J. Solid State Chem. 178, 2533-2554, DOI:10.1016/j.jssc.2005.06.037. ; - _name.category_id TOPOLOGY + _name.category_id CIF_TOPO_HEAD _name.object_id TOPOL_NET _category_key.name '_topol_net.id' @@ -1278,7 +1280,7 @@ save_TOPOL_NODE _definition.id TOPOL_NODE _definition.scope Category _definition.class Loop - _definition.update 2021-09-15 + _definition.update 2024-05-20 _description.text ; The TOPOL_NODE category, along with TOPOL_ATOM, describes the topological @@ -1297,7 +1299,7 @@ save_TOPOL_NODE Reference: Blatov, V. A., O'Keeffe, M. & Proserpio, D. M. (2010). Cryst. Eng. Comm. 12, 44-48, DOI:10.1039/B910671E. ; - _name.category_id TOPOLOGY + _name.category_id CIF_TOPO_HEAD _name.object_id TOPOL_NODE _category_key.name '_topol_node.id' @@ -1673,7 +1675,7 @@ save_TOPOL_TILING _definition.id TOPOL_TILING _definition.scope Category _definition.class Loop - _definition.update 2021-10-13 + _definition.update 2024-05-20 _description.text ; The TOPOL_TILING category describes the natural tiling @@ -1692,7 +1694,7 @@ save_TOPOL_TILING Proserpio D. M. (2007). Acta Cryst. A63, 418-425, DOI:10.1107/S0108767307038287. ; - _name.category_id TOPOLOGY + _name.category_id CIF_TOPO_HEAD _name.object_id TOPOL_TILING _category_key.name '_topol_tiling.id' @@ -2030,12 +2032,17 @@ save_ NOTE: all ^ should be that mark in the dictionary examples. ; - 0.9.6 2024-05-15 + 0.9.6 2024-02-13 ; Updated the _topol_atom.atom_label, _topol_atom.symop_id, _topol_link.symop_id_1 and _topol_link.symop_id_2 data items to be compatible with the data items that they are linked to. (A. Vaitkus) +; + 0.9.7 2024-05-20 +; + # Please update the date above and describe the change below until + # ready for the next release. Changed the _type.source attribute of all SU data items to 'Related'. (A. Vaitkus) @@ -2043,4 +2050,8 @@ save_ Updated the CIF_CORE dictionary import statement with the new Head category name. (A. Vaitkus) + + Renamed the dictionary from 'TOPOLOGY_CIF' to 'CIF_TOPO'. + Renamed the head category from 'TOPOLOGY' to 'CIF_TOPO_HEAD'. + (A. Vaitkus) ;