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Commit 38a3645c authored by David Mendez's avatar David Mendez
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Eubopen Compound: add control structures and use section with real data.

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1 merge request!46Add properties configuration for missing sections
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components/report_cards/chemical_probe/ControlStructuresAndUse.vue
+ 43
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View file @ 38a3645c
<template> <template>
<v-card> <v-card>
<v-card-text class="yellow lighten-4"> <v-card-text>
<v-row> <ChEMBLDataTable
<v-col cols="12" sm="6"> :dataset-state="datasetState"
<v-card tile elevation="0"> :store-module-name="storeModuleName"
<v-card-title>PFI-6 Chemical Probe</v-card-title> :outlined-card="true"
<MoleculeImage />
molecule-chembl-id="CHEMBL160074"
contain
:aspect-ratio="16 / 9"
/>
<v-card-subtitle>
<a
href="https://www.ebi.ac.uk/chembl/compound_report_card/CHEMBL160074"
>CHEMBL160074</a
>
</v-card-subtitle>
<v-card-text>
<TextToClipboard
text="Oc1ccc(CCc2ccc(O)c(O)c2)cc1O"
title="smiles"
/>
<TextToClipboard
text="YNSCZVGCGAWBBE-UHFFFAOYSA-M"
title="InChI Key"
/>
<div><b>Molecular weight:</b> 357.26</div>
<div>
<b>Storage:</b>
As a dry powder or as DMSO stock solutions (10mM) at -20 °C
</div>
<div>
<b>Dissolution:</b>
Soluble in DMSO up to 10mM
</div>
</v-card-text>
</v-card>
</v-col>
<v-col cols="12" sm="6">
<v-card tile elevation="0">
<v-card-title>PFI-6N Negative Control</v-card-title>
<MoleculeImage
molecule-chembl-id="CHEMBL1269459"
contain
:aspect-ratio="16 / 9"
/>
<v-card-subtitle>
<a
href="https://www.ebi.ac.uk/chembl/compound_report_card/CHEMBL1269459"
>CHEMBL1269459</a
>
</v-card-subtitle>
<v-card-text>
<TextToClipboard
text="Oc1ccc(CCc2ccc(O)c(O)c2)cc1O"
title="smiles"
/>
<TextToClipboard
text="FYULQBSQDOYPJQ-UHFFFAOYSA-N"
title="InChI Key"
/>
<div><b>Molecular weight:</b> 246.26</div>
<div>
<b>Storage:</b>
As a dry powder or as DMSO stock solutions (10mM) at -20 °C
</div>
<div>
<b>Dissolution:</b>
Soluble in DMSO up to 10mM
</div>
</v-card-text>
</v-card>
</v-col>
<v-col cols="12" sm="6">
<v-card tile elevation="0">
<v-card-title>PFI-6N Another Control 1</v-card-title>
<MoleculeImage
molecule-chembl-id="CHEMBL1276106"
contain
:aspect-ratio="16 / 9"
/>
<v-card-subtitle>
<a
href="https://www.ebi.ac.uk/chembl/compound_report_card/CHEMBL1276106"
>CHEMBL1269459</a
>
</v-card-subtitle>
<v-card-text>
<TextToClipboard
text="Oc1ccc(CCc2ccc(O)c(O)c2)cc1O"
title="smiles"
/>
<TextToClipboard
text="FYULQBSQDOYPJQ-UHFFFAOYSA-N"
title="InChI Key"
/>
<div><b>Molecular weight:</b> 250.26</div>
<div>
<b>Storage:</b>
As a dry powder or as DMSO stock solutions (10mM) at -20 °C
</div>
<div>
<b>Dissolution:</b>
Soluble in DMSO up to 10mM
</div>
</v-card-text>
</v-card>
</v-col>
<v-col cols="12" sm="6">
<v-card tile elevation="0">
<v-card-title>PFI-6N Another Control 2</v-card-title>
<MoleculeImage
molecule-chembl-id="CHEMBL1557"
contain
:aspect-ratio="16 / 9"
/>
<v-card-subtitle>
<a
href="https://www.ebi.ac.uk/chembl/compound_report_card/CHEMBL1557"
>CHEMBL1557</a
>
</v-card-subtitle>
<v-card-text>
<TextToClipboard
text="Oc1ccc(CCc2ccc(O)c(O)c2)cc1O"
title="smiles"
/>
<TextToClipboard
text="FYULQBSQDOYPJQ-UHFFFAOYSA-N"
title="InChI Key"
/>
<div><b>Molecular weight:</b> 250.26</div>
<div>
<b>Storage:</b>
As a dry powder or as DMSO stock solutions (10mM) at -20 °C
</div>
<div>
<b>Dissolution:</b>
Soluble in DMSO up to 10mM
</div>
</v-card-text>
</v-card>
</v-col>
</v-row>
</v-card-text> </v-card-text>
</v-card> </v-card>
</template> </template>
<script> <script>
import TextToClipboard from '~/web-components-submodule/components/common/TextToClipboard.vue' import { datasetMixin } from '~/web-components-submodule/mixins/datasets/datasetMixin.js'
import MoleculeImage from '~/web-components-submodule/components/common/ReportCards/Shared/MoleculeImage.vue' import ChEMBLDataTable from '~/web-components-submodule/components/common/dataSets/data_table/ChEMBLDataTable.vue'
import EntityNames from '~/web-components-submodule/standardisation/EntityNames.js'
import EubopenCompound from '~/web-components-submodule/store/datasets/generators/eubopen/chemicalProbe/EubopenCompound.js'
export default { export default {
components: { components: {
TextToClipboard, ChEMBLDataTable,
MoleculeImage, },
mixins: [datasetMixin],
props: {
itemID: {
type: String,
default: () => undefined,
},
storeModuleName: {
type: String,
default: () => `probe_control_structures_and_use`,
},
},
data() {
return {
propertiesGroups: {
1: { id: 'control_structures', selected: true, allHeaders: [] },
},
entityID: EntityNames.EubopenCompound.entityID,
customDataRepresentationParams: {
possiblePageSizes: [5, 10],
itemsPerPage: 5,
},
}
},
computed: {
starterParams() {
const starterParams = EubopenCompound.getControlStructuresAndUseParams(
this.itemID,
this.propertiesGroups
)
return starterParams
},
}, },
} }
</script> </script>
......
components/report_cards/chemical_probe/Summary.vue
+ 48
− 0
View file @ 38a3645c
...@@ -52,6 +52,52 @@ ...@@ -52,6 +52,52 @@
<v-divider /> <v-divider />
</div> </div>
</v-col> </v-col>
<v-col
v-if="
getPropertyPalue(
probeSummaryData,
'molecule_structures.canonical_smiles'
) != null
"
cols="12"
>
<div>
<b>Smiles:</b>
<TextToClipboard
:text="
getPropertyPalue(
probeSummaryData,
'molecule_structures.canonical_smiles'
)
"
/>
<v-divider />
</div>
</v-col>
<v-col
v-if="
getPropertyPalue(
probeSummaryData,
'molecule_structures.standard_inchi_key'
) != null
"
cols="12"
>
<div>
<b>Inchi Key:</b>
<TextToClipboard
:text="
getPropertyPalue(
probeSummaryData,
'molecule_structures.standard_inchi_key'
)
"
/>
<v-divider />
</div>
</v-col>
<v-col cols="12"> <v-col cols="12">
<b>Download probe data package:</b> <b>Download probe data package:</b>
<br /><br /> <br /><br />
...@@ -85,11 +131,13 @@ import Synonyms from '~/web-components-submodule/components/common/ReportCards/S ...@@ -85,11 +131,13 @@ import Synonyms from '~/web-components-submodule/components/common/ReportCards/S
import MoleculeImage from '~/web-components-submodule/components/common/ReportCards/Shared/MoleculeImage.vue' import MoleculeImage from '~/web-components-submodule/components/common/ReportCards/Shared/MoleculeImage.vue'
import ObjectPropertyAccess from '~/web-components-submodule/utils/ObjectPropertyAccess.js' import ObjectPropertyAccess from '~/web-components-submodule/utils/ObjectPropertyAccess.js'
import EntityNames from '~/web-components-submodule/standardisation/EntityNames.js' import EntityNames from '~/web-components-submodule/standardisation/EntityNames.js'
import TextToClipboard from '~/web-components-submodule/components/common/TextToClipboard.vue'
export default { export default {
components: { components: {
Synonyms, Synonyms,
MoleculeImage, MoleculeImage,
TextToClipboard,
}, },
props: { props: {
itemID: { itemID: {
......
store/probe/probeSummary.js
+ 2
− 0
View file @ 38a3645c
...@@ -23,6 +23,8 @@ export const actions = { ...@@ -23,6 +23,8 @@ export const actions = {
'pref_name', 'pref_name',
'_metadata.compound_generated.image_file', '_metadata.compound_generated.image_file',
'_metadata.eubopen.in_vivo_use', '_metadata.eubopen.in_vivo_use',
'molecule_structures.canonical_smiles',
'molecule_structures.standard_inchi_key',
] ]
const entityID = EntityNames.EubopenCompound.entityID const entityID = EntityNames.EubopenCompound.entityID
const indexName = IndexNames.getIndexNameFromEntityID(entityID) const indexName = IndexNames.getIndexNameFromEntityID(entityID)
......
web-components-submodule @ 5381fed4
Compare 8f97af02...5381fed4
Subproject commit 8f97af02713ec5d7d251c34d3f645f0affd9fd04 Subproject commit 5381fed42d9672d21d87591ce5b7237bcd8c8a00
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