From 44b6c6f0092f54cae08f56e19bc54921ecddf0b1 Mon Sep 17 00:00:00 2001
From: Lauri Himanen <lauri.himanen@gmail.com>
Date: Wed, 25 Sep 2024 05:54:29 +0000
Subject: [PATCH] Resolve "Add formulas and symmetry information to be
available for topology"
---
gui/src/components/search/FilterRegistry.js | 25 +++++++++++++++----
.../components/search/widgets/WidgetTerms.js | 6 ++---
2 files changed, 23 insertions(+), 8 deletions(-)
diff --git a/gui/src/components/search/FilterRegistry.js b/gui/src/components/search/FilterRegistry.js
index ecab46a84f..d62e984df4 100644
--- a/gui/src/components/search/FilterRegistry.js
+++ b/gui/src/components/search/FilterRegistry.js
@@ -218,15 +218,21 @@ registerFilter(
[
{name: 'label', ...termQuantity},
{name: 'method', ...termQuantity},
- {name: 'dimensionality', ...termQuantity},
- {name: 'building_block', ...termQuantity},
+ {name: 'description', ...termQuantity},
{name: 'material_id', ...termQuantity},
{name: 'material_name', ...termQuantity},
- {name: 'symmetry.prototype_name', ...termQuantity},
- {name: 'symmetry.prototype_label_aflow', ...termQuantity},
- {name: 'n_atoms', ...numberHistogramQuantity},
+ {name: 'structural_type', ...termQuantity},
+ {name: 'dimensionality', ...termQuantity},
+ {name: 'building_block', ...termQuantity},
+ {name: 'elements', ...termQuantity},
+ {name: 'n_elements', ...numberHistogramQuantity},
+ {name: 'chemical_formula_hill', ...termQuantity, placeholder: "E.g. H2O2, C2H5Br"},
+ {name: 'chemical_formula_iupac', ...termQuantity, placeholder: "E.g. GaAs, SiC", label: 'Chemical formula IUPAC'},
+ {name: 'chemical_formula_reduced', ...termQuantity, placeholder: "E.g. H2NaO, ClNa"},
+ {name: 'chemical_formula_anonymous', ...termQuantity, placeholder: "E.g. A2B, A3B2C2"},
{name: 'atomic_fraction', ...numberHistogramQuantity},
{name: 'mass_fraction', ...numberHistogramQuantity},
+ {name: 'n_atoms', ...numberHistogramQuantity},
{name: 'system_relation.type', ...termQuantity},
{name: 'cell.a', ...numberHistogramQuantity},
{name: 'cell.b', ...numberHistogramQuantity},
@@ -237,6 +243,14 @@ registerFilter(
{name: 'cell.atomic_density', ...numberHistogramQuantity},
{name: 'cell.mass_density', ...numberHistogramQuantity},
{name: 'cell.volume', ...numberHistogramQuantity},
+ {name: 'symmetry.bravais_lattice', ...termQuantity},
+ {name: 'symmetry.crystal_system', ...termQuantity},
+ {name: 'symmetry.hall_symbol', ...termQuantity},
+ {name: 'symmetry.point_group', ...termQuantity, placeholder: "E.g. 6mm, m-3m, 6/mmm"},
+ {name: 'symmetry.space_group_symbol', ...termQuantity, placeholder: "E.g. Pnma, Fd-3m, P6_3mc"},
+ {name: 'symmetry.strukturbericht_designation', ...termQuantity, placeholder: "E.g. Pnma, Fd-3m, P6_3mc"},
+ {name: 'symmetry.prototype_name', ...termQuantity},
+ {name: 'symmetry.prototype_label_aflow', ...termQuantity},
{name: 'sbu_type', ...termQuantity},
{name: 'largest_cavity_diameter', ...numberHistogramQuantity},
{name: 'pore_limiting_diameter', ...numberHistogramQuantity},
@@ -264,6 +278,7 @@ registerFilter(
nestedQuantity,
[
{name: 'element', ...termQuantity},
+ {name: 'mass', ...numberHistogramQuantity},
{name: 'atomic_fraction', ...numberHistogramQuantity},
{name: 'mass_fraction', ...numberHistogramQuantity}
]
diff --git a/gui/src/components/search/widgets/WidgetTerms.js b/gui/src/components/search/widgets/WidgetTerms.js
index 8895872243..f368cc0bfd 100644
--- a/gui/src/components/search/widgets/WidgetTerms.js
+++ b/gui/src/components/search/widgets/WidgetTerms.js
@@ -127,7 +127,7 @@ export const WidgetTerms = React.memo((
return config
}, [aggSize, filterData, quantity])
const agg = useAgg(quantity, !isNil(height), id, aggConfig)
- const max = agg ? Math.max(...agg.data.map(option => option.count)) : 0
+ const max = agg ? Math.max(...agg.data.map(option => option.nested_count)) : 0
const handleChange = useCallback((event, key, selected) => {
setFilter(old => {
@@ -162,7 +162,7 @@ export const WidgetTerms = React.memo((
const maxSize = Math.min(aggConfig.size, agg.data.length)
for (let i = 0; i < maxSize; ++i) {
const option = agg.data[i]
- if (option.count > 0 && nShown < maxSize) {
+ if (option.nested_count > 0 && nShown < maxSize) {
aggComp.push(<InputItem
key={option.value}
value={option.value}
@@ -170,7 +170,7 @@ export const WidgetTerms = React.memo((
max={max}
onChange={handleChange}
variant="checkbox"
- count={option.count}
+ count={option.nested_count}
scale={scale}
/>)
++nShown
--
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