Skip to content
This repository was archived by the owner on Aug 16, 2022. It is now read-only.

Commit 49836fb

Browse files
committed
Update data schema
1 parent 2fb51d2 commit 49836fb

File tree

1 file changed

+34
-5
lines changed

1 file changed

+34
-5
lines changed

tilde/data/sql/init-data.sql

Lines changed: 34 additions & 5 deletions
Original file line numberDiff line numberDiff line change
@@ -1,9 +1,16 @@
1+
2+
-- hierarchy_groups (GUI)
3+
14
INSERT INTO hierarchy_groups (hgroup_id, name, landing_group, settings_group) VALUES (1, 'physical properties', 1, 1);
2-
INSERT INTO hierarchy_groups (hgroup_id, name, landing_group, settings_group) VALUES (2, 'crystalline structure', 1, 1);
5+
INSERT INTO hierarchy_groups (hgroup_id, name, landing_group, settings_group) VALUES (2, 'atomic structure', 1, 1);
36
INSERT INTO hierarchy_groups (hgroup_id, name, landing_group, settings_group) VALUES (3, 'modeling method', 1, 1);
47
INSERT INTO hierarchy_groups (hgroup_id, name, landing_group, settings_group) VALUES (4, 'modeling precision', 0, 1);
58
INSERT INTO hierarchy_groups (hgroup_id, name, landing_group, settings_group) VALUES (5, 'modeling package', 1, 1);
9+
INSERT INTO hierarchy_groups (hgroup_id, name, landing_group, settings_group) VALUES (6, 'other metadata', 0, 1);
610
INSERT INTO hierarchy_groups (hgroup_id, name, landing_group, settings_group) VALUES (9, 'all the rest', 0, 0);
11+
12+
-- hierarchy (core)
13+
714
INSERT INTO hierarchy (cid, name, source, legend, html, slider, sort, multiple, optional, has_summary_contrb, has_column, has_facet, has_topic, chem_formula, plottable, hgroup_id) VALUES (1, 'chemical formula', 'standard', '', '', '', 2, 0, 0, 1, 1, 0, 1, 1, 0, 2);
815
INSERT INTO hierarchy (cid, name, source, legend, html, slider, sort, multiple, optional, has_summary_contrb, has_column, has_facet, has_topic, chem_formula, plottable, hgroup_id) VALUES (2, 'elements', 'elements', '', '', '', 1, 1, 0, 1, 0, 1, 1, 0, 0, 2);
916
INSERT INTO hierarchy (cid, name, source, legend, html, slider, sort, multiple, optional, has_summary_contrb, has_column, has_facet, has_topic, chem_formula, plottable, hgroup_id) VALUES (3, 'compound', 'nelem', '', '', '', 30, 0, 0, 1, 1, 1, 1, 0, 1, 2);
@@ -23,7 +30,8 @@ INSERT INTO hierarchy (cid, name, source, legend, html, slider, sort, multiple,
2330
INSERT INTO hierarchy (cid, name, source, legend, html, slider, sort, multiple, optional, has_summary_contrb, has_column, has_facet, has_topic, chem_formula, plottable, hgroup_id) VALUES (13, 'layer group (int)', 'dg', 'Result layer group (international notation)', '', '', 180, 0, 1, 0, 0, 0, 0, 0, 0, 2);
2431
INSERT INTO hierarchy (cid, name, source, legend, html, slider, sort, multiple, optional, has_summary_contrb, has_column, has_facet, has_topic, chem_formula, plottable, hgroup_id) VALUES (50, 'space group', 'spg', 'Result space group (both international and Schoenflis notations)', '', '', 181, 0, 0, 1, 1, 0, 1, 0, 0, 2);
2532
INSERT INTO hierarchy (cid, name, source, legend, html, slider, sort, multiple, optional, has_summary_contrb, has_column, has_facet, has_topic, chem_formula, plottable, hgroup_id) VALUES (8, 'system type', 'tags', '', '', '', 60, 1, 1, 1, 0, 1, 1, 0, 0, 2);
26-
INSERT INTO hierarchy (cid, name, source, legend, html, slider, sort, multiple, optional, has_summary_contrb, has_column, has_facet, has_topic, chem_formula, plottable, hgroup_id) VALUES (6, 'calculated property', 'calctypes', '', '', '', 270, 1, 0, 1, 0, 1, 1, 0, 0, 1);
33+
INSERT INTO hierarchy (cid, name, source, legend, html, slider, sort, multiple, optional, has_summary_contrb, has_column, has_facet, has_topic, chem_formula, plottable, hgroup_id) VALUES (106, 'data type', 'dtype', '', '', '', 269, 0, 0, 1, 0, 1, 1, 0, 0, 1);
34+
INSERT INTO hierarchy (cid, name, source, legend, html, slider, sort, multiple, optional, has_summary_contrb, has_column, has_facet, has_topic, chem_formula, plottable, hgroup_id) VALUES (6, 'property', 'calctypes', '', '', '', 270, 1, 0, 1, 0, 1, 1, 0, 0, 1);
2735
INSERT INTO hierarchy (cid, name, source, legend, html, slider, sort, multiple, optional, has_summary_contrb, has_column, has_facet, has_topic, chem_formula, plottable, hgroup_id) VALUES (7, 'xc treatment', 'H', '', 'XC treatment', '', 190, 0, 1, 1, 1, 0, 1, 0, 0, 3);
2836
INSERT INTO hierarchy (cid, name, source, legend, html, slider, sort, multiple, optional, has_summary_contrb, has_column, has_facet, has_topic, chem_formula, plottable, hgroup_id) VALUES (75, 'xc treatment', 'H_types', '', 'XC treatment type', '', 195, 1, 0, 0, 0, 1, 1, 0, 0, 3);
2937
INSERT INTO hierarchy (cid, name, source, legend, html, slider, sort, multiple, optional, has_summary_contrb, has_column, has_facet, has_topic, chem_formula, plottable, hgroup_id) VALUES (15, 'spin-polarized', 'spin', '', '', '', 210, 0, 0, 1, 1, 1, 1, 0, 0, 3);
@@ -48,8 +56,12 @@ INSERT INTO hierarchy (cid, name, source, legend, html, slider, sort, multiple,
4856
INSERT INTO hierarchy (cid, name, source, legend, html, slider, sort, multiple, optional, has_summary_contrb, has_column, has_facet, has_topic, chem_formula, plottable, hgroup_id) VALUES (80, 'basis set', 'ansatz', '', '', '', 185, 0, 0, 0, 1, 1, 1, 0, 0, 3);
4957
INSERT INTO hierarchy (cid, name, source, legend, html, slider, sort, multiple, optional, has_summary_contrb, has_column, has_facet, has_topic, chem_formula, plottable, hgroup_id) VALUES (1002, 'total energy', 'energy', '', 'E,,el.tot__/cell{{units-energy}}', '', 310, 0, 0, 1, 1, 0, 0, 0, 1, 1);
5058
INSERT INTO hierarchy (cid, name, source, legend, html, slider, sort, multiple, optional, has_summary_contrb, has_column, has_facet, has_topic, chem_formula, plottable, hgroup_id) VALUES (1003, 'cell volume', 'dims', '', 'Cell, Å^^3**', '', 10, 0, 0, 1, 1, 0, 0, 0, 1, 9);
51-
INSERT INTO hierarchy (cid, name, source, legend, html, slider, sort, multiple, optional, has_summary_contrb, has_column, has_facet, has_topic, chem_formula, plottable, hgroup_id) VALUES (1005, 'source file', 'location', '', '', '', 360, 0, 0, 0, 0, 0, 0, 0, 0, 5);
5259
INSERT INTO hierarchy (cid, name, source, legend, html, slider, sort, multiple, optional, has_summary_contrb, has_column, has_facet, has_topic, chem_formula, plottable, hgroup_id) VALUES (1006, 'finished', 'finished', '', 'Finished?', '', 370, 0, 0, 1, 1, 0, 1, 0, 0, 5);
60+
INSERT INTO hierarchy (cid, name, source, legend, html, slider, sort, multiple, optional, has_summary_contrb, has_column, has_facet, has_topic, chem_formula, plottable, hgroup_id) VALUES (1005, 'source file', 'location', '', '', '', 380, 0, 0, 0, 1, 0, 0, 0, 0, 6);
61+
62+
-- hierarchy_values
63+
64+
INSERT INTO hierarchy_values (cid, num, name) VALUES (3, 0, 'unknown');
5365
INSERT INTO hierarchy_values (cid, num, name) VALUES (3, 1, 'unary');
5466
INSERT INTO hierarchy_values (cid, num, name) VALUES (3, 2, 'binary');
5567
INSERT INTO hierarchy_values (cid, num, name) VALUES (3, 3, 'ternary');
@@ -62,12 +74,17 @@ INSERT INTO hierarchy_values (cid, num, name) VALUES (3, 9, 'nonary');
6274
INSERT INTO hierarchy_values (cid, num, name) VALUES (3, 10, 'decenary');
6375
INSERT INTO hierarchy_values (cid, num, name) VALUES (3, 11, '11-ary');
6476
INSERT INTO hierarchy_values (cid, num, name) VALUES (3, 12, '12-ary');
65-
INSERT INTO hierarchy_values (cid, num, name) VALUES (3, 13, 'multinary');
77+
INSERT INTO hierarchy_values (cid, num, name) VALUES (3, 13, '13-ary');
78+
INSERT INTO hierarchy_values (cid, num, name) VALUES (3, 14, '14-ary');
79+
INSERT INTO hierarchy_values (cid, num, name) VALUES (3, 15, '15-ary');
80+
81+
INSERT INTO hierarchy_values (cid, num, name) VALUES (5, 0, 'unknown');
6682
INSERT INTO hierarchy_values (cid, num, name) VALUES (5, 1, '1d');
6783
INSERT INTO hierarchy_values (cid, num, name) VALUES (5, 2, '2d');
6884
INSERT INTO hierarchy_values (cid, num, name) VALUES (5, 3, '3d');
6985
INSERT INTO hierarchy_values (cid, num, name) VALUES (5, 4, '0d');
7086
INSERT INTO hierarchy_values (cid, num, name) VALUES (5, 5, 'isolated atom');
87+
7188
INSERT INTO hierarchy_values (cid, num, name) VALUES (6, 0, 'unknown properties');
7289
INSERT INTO hierarchy_values (cid, num, name) VALUES (6, 1, 'total energy');
7390
INSERT INTO hierarchy_values (cid, num, name) VALUES (6, 2, 'electron structure');
@@ -77,24 +94,34 @@ INSERT INTO hierarchy_values (cid, num, name) VALUES (6, 5, 'magnetic moments');
7794
INSERT INTO hierarchy_values (cid, num, name) VALUES (6, 6, 'phonons');
7895
INSERT INTO hierarchy_values (cid, num, name) VALUES (6, 7, 'phonon dispersion');
7996
INSERT INTO hierarchy_values (cid, num, name) VALUES (6, 8, 'static dielectric constant');
97+
8098
INSERT INTO hierarchy_values (cid, num, name) VALUES (8, 1, 'organic molecule');
8199
INSERT INTO hierarchy_values (cid, num, name) VALUES (8, 2, 'vacancy defect');
82100
INSERT INTO hierarchy_values (cid, num, name) VALUES (8, 3, 'adsorption');
83101
INSERT INTO hierarchy_values (cid, num, name) VALUES (8, 4, 'perovskite');
102+
103+
INSERT INTO hierarchy_values (cid, num, name) VALUES (106, 0, 'ab initio calculation');
104+
INSERT INTO hierarchy_values (cid, num, name) VALUES (106, 1, 'journal article');
105+
106+
INSERT INTO hierarchy_values (cid, num, name) VALUES (15, 0, 'unknown');
84107
INSERT INTO hierarchy_values (cid, num, name) VALUES (15, 1, 'non-magnetic');
85108
INSERT INTO hierarchy_values (cid, num, name) VALUES (15, 2, 'magnetic');
109+
86110
INSERT INTO hierarchy_values (cid, num, name) VALUES (22, 0, 'unknown code');
87111
INSERT INTO hierarchy_values (cid, num, name) VALUES (22, 1, 'WIEN2K');
88112
INSERT INTO hierarchy_values (cid, num, name) VALUES (22, 2, 'VASP');
89113
INSERT INTO hierarchy_values (cid, num, name) VALUES (22, 3, 'CRYSTAL');
90114
INSERT INTO hierarchy_values (cid, num, name) VALUES (22, 4, 'Quantum ESPRESSO');
115+
91116
INSERT INTO hierarchy_values (cid, num, name) VALUES (26, 0, 'unknown conductivity');
92117
INSERT INTO hierarchy_values (cid, num, name) VALUES (26, 1, 'insulator');
93118
INSERT INTO hierarchy_values (cid, num, name) VALUES (26, 2, 'conductor');
119+
94120
INSERT INTO hierarchy_values (cid, num, name) VALUES (28, 0, 'unknown band gap');
95121
INSERT INTO hierarchy_values (cid, num, name) VALUES (28, 1, 'no band gap');
96122
INSERT INTO hierarchy_values (cid, num, name) VALUES (28, 2, 'direct');
97123
INSERT INTO hierarchy_values (cid, num, name) VALUES (28, 3, 'indirect');
124+
98125
INSERT INTO hierarchy_values (cid, num, name) VALUES (75, 0, 'unknown potential');
99126
INSERT INTO hierarchy_values (cid, num, name) VALUES (75, 1, 'LDA');
100127
INSERT INTO hierarchy_values (cid, num, name) VALUES (75, 2, 'GGA');
@@ -107,11 +134,13 @@ INSERT INTO hierarchy_values (cid, num, name) VALUES (75, 8, 'MP');
107134
INSERT INTO hierarchy_values (cid, num, name) VALUES (75, 9, 'CC');
108135
INSERT INTO hierarchy_values (cid, num, name) VALUES (75, 10, 'CI');
109136
INSERT INTO hierarchy_values (cid, num, name) VALUES (75, 11, 'GW');
137+
110138
INSERT INTO hierarchy_values (cid, num, name) VALUES (80, 0, 'unknown basis set');
111139
INSERT INTO hierarchy_values (cid, num, name) VALUES (80, 1, 'LAPW');
112140
INSERT INTO hierarchy_values (cid, num, name) VALUES (80, 2, 'plane waves');
113141
INSERT INTO hierarchy_values (cid, num, name) VALUES (80, 3, 'gaussians');
114142
INSERT INTO hierarchy_values (cid, num, name) VALUES (80, 4, 'numeric AOs');
143+
115144
INSERT INTO hierarchy_values (cid, num, name) VALUES (1006, 0, 'unknown finalization');
116145
INSERT INTO hierarchy_values (cid, num, name) VALUES (1006, 1, 'not finalized');
117-
INSERT INTO hierarchy_values (cid, num, name) VALUES (1006, 2, 'finalized');
146+
INSERT INTO hierarchy_values (cid, num, name) VALUES (1006, 2, 'finalized');

0 commit comments

Comments
 (0)