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Merge pull request #85 from glycojones/add_statistics_for_db
Add New Graphs in Stats Page
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189
webapp/src/statistics/Graphs/ConformationErrorsVsYear.tsx
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| Original file line number | Diff line number | Diff line change |
|---|---|---|
| @@ -0,0 +1,189 @@ | ||
| import React, { useEffect, useState } from 'react'; | ||
| import Loading from '../../shared/Loading/Loading.tsx'; | ||
| import Plot from 'react-plotly.js'; | ||
|
|
||
| export default function ConformationErrorsVsYear(props: { database: string }) { | ||
| const [totalTrace, setTotalTrace] = useState(); | ||
| const [errorTrace, setErrorTrace] = useState(); | ||
| const [relativeTrace, setRelativeTrace] = useState(); | ||
|
|
||
| // const [depositedTrace, setDepositedTrace] = useState(); | ||
| const d = new Date(); | ||
|
|
||
| const [data, setData] = useState<Record< | ||
| string, | ||
| Record<string, Record<string, number>> | ||
| > | null>(null); | ||
|
|
||
| const [width, setWidth] = useState(1000); | ||
| const [height, setHeight] = useState(1000); | ||
| const [legendDown, setLegendDown] = useState(false); | ||
|
|
||
| useEffect(() => { | ||
| const url = | ||
| 'https://raw.githubusercontent.com/Dialpuri/PrivateerDatabase/master/stats/conformational_errors_per_year.json'; | ||
|
|
||
| fetch(url) | ||
| .then(async (response) => await response.json()) | ||
| .then((data) => { | ||
| setData( | ||
| data as Record< | ||
| string, | ||
| Record<string, Record<string, number>> | ||
| > | ||
| ); | ||
| }) | ||
| .catch((error) => { | ||
| console.error('Error:', error); | ||
| }); | ||
|
|
||
| function handleResize() { | ||
| const currentWidth = window.innerWidth; | ||
|
|
||
| if (currentWidth < 1000) { | ||
| setWidth(0.75 * currentWidth); | ||
| setHeight(600); | ||
| setLegendDown(true); | ||
| } else { | ||
| setWidth(Math.max(0.75 * currentWidth, 1000)); | ||
| setHeight(0.5 * Math.max(0.75 * currentWidth, 1000)); | ||
|
|
||
| setLegendDown(false); | ||
| } | ||
| } | ||
|
|
||
| window.addEventListener('resize', handleResize); | ||
| handleResize(); | ||
| }, []); | ||
|
|
||
| useEffect(() => { | ||
| if (data === null) return; | ||
| const newTotalTrace = { | ||
| x: Object.keys(data[props.database]), | ||
| y: Object.values(data[props.database]).map((e) => { | ||
| return e.totalChair + e.totalNonChair; | ||
| }), | ||
| type: 'scatter', | ||
| mode: 'lines', | ||
| // marker: {color: 'red'}, | ||
| name: 'Total Sugars', | ||
| }; | ||
|
|
||
| setTotalTrace(newTotalTrace); | ||
|
|
||
| const newErrorTrace = { | ||
| x: Object.keys(data[props.database]), | ||
| y: Object.values(data[props.database]).map((e) => { | ||
| return e.totalNonChair; | ||
| }), | ||
| type: 'scatter', | ||
| mode: 'lines', | ||
| // marker: {color: 'green'}, | ||
| name: 'Non Chair Sugars', | ||
| }; | ||
|
|
||
| setErrorTrace(newErrorTrace); | ||
|
|
||
| const newRelativeTrace = { | ||
| x: Object.keys(data[props.database]), | ||
| y: Object.values(data[props.database]).map((e) => { | ||
| return (100 * e.totalErrors) / e.totalGlycans; | ||
| }), | ||
| type: 'scatter', | ||
| mode: 'lines', | ||
| yaxis: 'y2', | ||
| // marker: {color: 'green'}, | ||
| name: 'Relative Validation Errors ', | ||
| }; | ||
|
|
||
| setRelativeTrace(newRelativeTrace); | ||
| }, [data, props.database]); | ||
|
|
||
| return ( | ||
| <> | ||
| {data === null ? ( | ||
| <Loading loadingText={'Crunching latest data...'} /> | ||
| ) : ( | ||
| <Plot | ||
| data={[ | ||
| totalTrace, | ||
| errorTrace, | ||
| // relativeTrace | ||
| ]} | ||
| layout={{ | ||
| autosize: true, | ||
| width, | ||
| height, | ||
| title: { | ||
| text: `Conformational Anomalies in ${ | ||
| props.database === 'pdbredo' | ||
| ? 'PDB-REDO' | ||
| : 'the PDB' | ||
| } over time`, | ||
| x: 0.5, | ||
| // y: 1.1, | ||
| xanchor: 'auto', // or 'auto', which matches 'left' in this case | ||
| yanchor: 'bottom', | ||
| xref: 'paper', | ||
| yref: 'paper', | ||
| }, | ||
| plot_bgcolor: '#FFFFFF', | ||
| paper_bgcolor: 'rgba(0,0,0,0)', | ||
| modebar: { | ||
| bgcolor: 'rgba(0,0,0,0)', | ||
| color: 'gray', | ||
| activecolor: 'black', | ||
| }, | ||
| yaxis: { | ||
| title: { | ||
| text: 'Number', | ||
| }, | ||
| tickformat: ',.0f', | ||
| linewidth: 2, | ||
| mirror: true, | ||
| automargin: true, | ||
| ticksuffix: ' ', | ||
| tickprefix: ' ', | ||
| range: [-50, 35000], | ||
| }, | ||
| yaxis2: { | ||
| overlaying: 'y', | ||
| tickformat: ',.0f', | ||
| tickmode: 'auto', | ||
| // anchor: 'free', | ||
| side: 'right', | ||
| automargin: true, | ||
| tickprefix: ' ', | ||
| range: [0, 100], | ||
| }, | ||
| xaxis: { | ||
| title: { | ||
| text: 'Year', | ||
| }, | ||
| linecolor: 'black', | ||
| linewidth: 2, | ||
| mirror: true, | ||
| tickmode: 'auto', | ||
| range: [1980, d.getFullYear()], | ||
| }, | ||
|
|
||
| legend: { | ||
| x: legendDown ? 0 : 1.15, | ||
| y: legendDown ? -0.6 : 0.5, | ||
| // bgcolor: '#FFFFFF', | ||
| }, | ||
| }} | ||
| config={{ | ||
| toImageButtonOptions: { | ||
| format: 'svg', | ||
| filename: 'validationErrorsOverTime', | ||
| height: 1000, | ||
| width: 1500, | ||
| scale: 1, | ||
| }, | ||
| }} | ||
| /> | ||
| )} | ||
| </> | ||
| ); | ||
| } |
191 changes: 191 additions & 0 deletions
191
webapp/src/statistics/Graphs/ConformationalErrorsVsResolution.tsx
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| Original file line number | Diff line number | Diff line change |
|---|---|---|
| @@ -0,0 +1,191 @@ | ||
| import React, { lazy, useEffect, useState } from 'react'; | ||
| import Loading from '../../shared/Loading/Loading.tsx'; | ||
| import Plot from 'react-plotly.js'; | ||
|
|
||
| export default function ConformationalErrorsVsResolution(props: { | ||
| database: string; | ||
| }) { | ||
| const [totalTrace, setTotalTrace] = useState(); | ||
| const [errorTrace, setErrorTrace] = useState(); | ||
| const [relativeTrace, setRelativeTrace] = useState(); | ||
|
|
||
| // const [depositedTrace, setDepositedTrace] = useState(); | ||
|
|
||
| const [data, setData] = useState<Record< | ||
| string, | ||
| Record<string, Record<string, number>> | ||
| > | null>(null); | ||
|
|
||
| const [width, setWidth] = useState(1000); | ||
| const [height, setHeight] = useState(1000); | ||
| const [legendDown, setLegendDown] = useState(false); | ||
|
|
||
| useEffect(() => { | ||
| const url = | ||
| 'https://raw.githubusercontent.com/Dialpuri/PrivateerDatabase/master/stats/conformational_errors_per_resolution.json'; | ||
|
|
||
| fetch(url) | ||
| .then(async (response) => await response.json()) | ||
| .then((data) => { | ||
| setData( | ||
| data as Record< | ||
| string, | ||
| Record<string, Record<string, number>> | ||
| > | ||
| ); | ||
| }) | ||
| .catch((error) => { | ||
| console.error('Error:', error); | ||
| }); | ||
|
|
||
| function handleResize() { | ||
| const currentWidth = window.innerWidth; | ||
|
|
||
| if (currentWidth < 1000) { | ||
| setWidth(0.75 * currentWidth); | ||
| setHeight(600); | ||
| setLegendDown(true); | ||
| } else { | ||
| setWidth(Math.max(0.75 * currentWidth, 1000)); | ||
| setHeight(0.5 * Math.max(0.75 * currentWidth, 1000)); | ||
|
|
||
| setLegendDown(false); | ||
| } | ||
| } | ||
|
|
||
| window.addEventListener('resize', handleResize); | ||
| handleResize(); | ||
| }, []); | ||
|
|
||
| useEffect(() => { | ||
| if (data === null) return; | ||
| const newTotalTrace = { | ||
| x: Object.keys(data[props.database]), | ||
| y: Object.values(data[props.database]).map((e) => { | ||
| return e.totalChair + e.totalNonChair; | ||
| }), | ||
| type: 'scatter', | ||
| mode: 'lines', | ||
| // marker: {color: 'red'}, | ||
| name: 'Total Sugars', | ||
| }; | ||
|
|
||
| setTotalTrace(newTotalTrace); | ||
|
|
||
| const newErrorTrace = { | ||
| x: Object.keys(data[props.database]), | ||
| y: Object.values(data[props.database]).map((e) => { | ||
| return e.totalNonChair; | ||
| }), | ||
| type: 'scatter', | ||
| mode: 'lines', | ||
| // marker: {color: 'green'}, | ||
| name: 'Total Non-chair Sugars', | ||
| }; | ||
|
|
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| setErrorTrace(newErrorTrace); | ||
|
|
||
| const newRelativeTrace = { | ||
| x: Object.keys(data[props.database]), | ||
| y: Object.values(data[props.database]).map((e) => { | ||
| return (100 * e.totalErrors) / e.totalGlyco; | ||
| }), | ||
| type: 'scatter', | ||
| mode: 'lines', | ||
| // marker: {color: 'green'}, | ||
| yaxis: 'y2', | ||
| name: 'Validation Errors', | ||
| }; | ||
|
|
||
| setRelativeTrace(newRelativeTrace); | ||
| }, [data, props.database]); | ||
|
|
||
| return ( | ||
| <> | ||
| {data === null ? ( | ||
| <Loading loadingText={'Crunching latest data...'} /> | ||
| ) : ( | ||
| <Plot | ||
| data={[ | ||
| totalTrace, | ||
| errorTrace, | ||
| // relativeTrace | ||
| ]} | ||
| layout={{ | ||
| autosize: true, | ||
| width, | ||
| height, | ||
| title: { | ||
| text: `Conformational Anomalies in ${ | ||
| props.database === 'pdbredo' | ||
| ? 'PDB-REDO' | ||
| : 'the PDB' | ||
| } with resolution`, | ||
| x: 0.5, | ||
| // y: 1.1, | ||
| xanchor: 'auto', // or 'auto', which matches 'left' in this case | ||
| yanchor: 'bottom', | ||
| xref: 'paper', | ||
| yref: 'paper', | ||
| }, | ||
| plot_bgcolor: '#FFFFFF', | ||
| paper_bgcolor: 'rgba(0,0,0,0)', | ||
| modebar: { | ||
| bgcolor: 'rgba(0,0,0,0)', | ||
| color: 'gray', | ||
| activecolor: 'black', | ||
| }, | ||
| yaxis: { | ||
| title: { | ||
| text: 'Number', | ||
| }, | ||
| tickformat: ',.0f', | ||
| linewidth: 2, | ||
| mirror: true, | ||
| automargin: true, | ||
| ticksuffix: ' ', | ||
| tickprefix: ' ', | ||
| range: [-50, 14000], | ||
| // type: 'log' | ||
| }, | ||
| yaxis2: { | ||
| overlaying: 'y', | ||
| tickformat: ',.0f', | ||
| tickmode: 'auto', | ||
| // anchor: 'free', | ||
| side: 'right', | ||
| automargin: true, | ||
| tickprefix: ' ', | ||
| range: [0, 100], | ||
| }, | ||
| xaxis: { | ||
| title: { | ||
| text: 'Resolution / Å', | ||
| }, | ||
| linecolor: 'black', | ||
| linewidth: 2, | ||
| mirror: true, | ||
| tickmode: 'auto', | ||
| range: [0, 5], | ||
| }, | ||
|
|
||
| legend: { | ||
| x: legendDown ? 0 : 1.15, | ||
| y: legendDown ? -0.6 : 0.5, | ||
| // bgcolor: '#FFFFFF', | ||
| }, | ||
| }} | ||
| config={{ | ||
| toImageButtonOptions: { | ||
| format: 'svg', | ||
| filename: 'validationErrorsWithResolution', | ||
| height: 1000, | ||
| width: 1500, | ||
| scale: 1, | ||
| }, | ||
| }} | ||
| /> | ||
| )} | ||
| </> | ||
| ); | ||
| } |
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