From cd404da9f0528c8cc01fa172f773673bd0816a6a Mon Sep 17 00:00:00 2001 From: "Hurtado, Iker (ikerh)" <iker.hurtado@bsc.es> Date: Wed, 7 Feb 2018 16:40:55 +0100 Subject: [PATCH] Some refactoring --- client/bundle.js | 75 +++---------------- client/src/material-mod/BSDOSPlotter.js | 4 +- client/src/material-mod/DOSPlotter.js | 7 +- client/src/material-mod/DataStore.js | 2 +- .../ElectronicStructDetails.view.js | 29 +------ client/src/material-mod/NavTree.js | 3 +- client/src/material-mod/Overview.view.js | 30 +------- 7 files changed, 20 insertions(+), 130 deletions(-) diff --git a/client/bundle.js b/client/bundle.js index 3b6c6478..0b11aab5 100644 --- a/client/bundle.js +++ b/client/bundle.js @@ -986,7 +986,7 @@ groups.forEach( (groupData, groupId) => { let representative = getCalc(getCalcReprIntId(groupId)); - let codeNameTrimed= representative.code_name.trim(); + //let codeNameTrimed= representative.code_name.trim(); //console.log('isInAnyGroup', calcId, groupData.calcs); /***** Exception: disable grouping for some codes @@ -1996,7 +1996,8 @@ calcs.forEach( calc => { //if (!DataStore.isInAnyGroup(calc.id)) addToCalcTree(calc, calc.id+''); //****** Exception: disable grouping for some codes - if (!DataStore.isInAnyNotDisabledGroup(calc.id)) addToCalcTree(calc, calc.id+''); + if (!DataStore.isInAnyNotDisabledGroup(calc.id)) + addToCalcTree(calc, calc.id+''); }); @@ -2882,35 +2883,7 @@ if (e.target.status === 200){ let dosData= JSON.parse(e.target.response).dos; - /*** Temporary fix - let factor = calculateOriginalVolume(DataStore.getMaterialData().cell); - //setFermiVizContent(this.fermiBox, ''); - - function calculateOriginalVolume(cellData){ // (A x B) . C - let aVector = util.getNumberArray(cellData.a); - let bVector = util.getNumberArray(cellData.b); - let cVector = util.getNumberArray(cellData.c); - let cp = crossProduct(aVector, bVector); - //console.log(aVector, bVector, cp ); - // dot product - return (cp[0]*cVector[0] + cp[1]*cVector[1] + cp[2]*cVector[2]); - } - - function crossProduct(v1, v2) { - let vR = []; - vR[0] = ( (v1[1] * v2[2]) - (v1[2] * v2[1]) ); - vR[1] = - ( (v1[0] * v2[2]) - (v1[2] * v2[0]) ); - vR[2] = ( (v1[0] * v2[1]) - (v1[1] * v2[0]) ); - return vR; - } - - if (calcWithDOS.code_name !== 'VASP'){ - if (calcWithDOS.code_name === 'exciting') factor = 735; - else factor = 1; - } - */ - - this.dosPlotter.setPoints(dosData/*, factor*/);//paintPointsLine(dosData); + this.dosPlotter.setPoints(dosData);//paintPointsLine(dosData); this.dosCalcIdBox.innerHTML = 'From calculation <b>'+calcWithDOS.id+ '</b><br><span style="font-size: 0.8em">('+calcWithDOS.functional_type+' - '+calcWithDOS.code_name+')</span>'; if (dosData.dos_values.length === 2) @@ -3834,7 +3807,7 @@ } - setPoints(points/*, volume*/){ + setPoints(points){ this.pointsSpin1 = []; this.pointsSpin2 = []; @@ -3846,18 +3819,17 @@ let pointsY= points.dos_energies; let pointsXInPlotRange = []; let pointsYInPlotRange = []; - // console.log('setPoints volume',volume); for (var i = 0; i < pointsY.length; i++) { let energy = pointsY[i]/E_FACTOR; - let dos_value_spin1 = pSpin1[i]/(E_FACTOR/**volume*/); + let dos_value_spin1 = pSpin1[i]/(E_FACTOR); pointsXInPlotRange.push(dos_value_spin1); if (pSpin2 !== null) pointsXInPlotRange.push(pSpin2[i]); pointsYInPlotRange.push(energy); //console.log('POINTS : ',pointsX[i], energy); this.pointsSpin1.push({x: dos_value_spin1, y: energy}); if (pSpin2 !== null) - this.pointsSpin2.push({x: pSpin2[i]/(E_FACTOR/**volume*/), y: energy}); + this.pointsSpin2.push({x: pSpin2[i]/(E_FACTOR), y: energy}); } let maxDosVal = Math.max.apply(null, pointsXInPlotRange); @@ -5600,33 +5572,6 @@ let calc = DataStore.getCalc(calcId); - /*** Temporary fix - let factor = calculateOriginalVolume(DataStore.getMaterialData().cell); - //setFermiVizContent(this.fermiBox, ''); - - function calculateOriginalVolume(cellData){ // (A x B) . C - let aVector = util.getNumberArray(cellData.a); - let bVector = util.getNumberArray(cellData.b); - let cVector = util.getNumberArray(cellData.c); - let cp = crossProduct(aVector, bVector); - // dot product - return (cp[0]*cVector[0] + cp[1]*cVector[1] + cp[2]*cVector[2]); - } - - function crossProduct(v1, v2) { - let vR = []; - vR[0] = ( (v1[1] * v2[2]) - (v1[2] * v2[1]) ); - vR[1] = - ( (v1[0] * v2[2]) - (v1[2] * v2[0]) ); - vR[2] = ( (v1[0] * v2[1]) - (v1[1] * v2[0]) ); - return vR; - } - - if (calc.code_name !== 'VASP'){ - if (calc.code_name === 'exciting') factor = 735; - else factor = 1; - } - */ - if (!this.bsDosPlotter.isAttached()) this.bsDosPlotter.attach(this.element.querySelector('.calc-bs-dos-plotter') ,undefined,360); @@ -5652,7 +5597,7 @@ //***util.addBandGapData(calcData, bsData); //console.log(calcData.dos_json); - this.bsDosPlotter.setUpAndData(bsData, dosData /*, factor*/); + this.bsDosPlotter.setUpAndData(bsData, dosData ); if (calc.has_band_structure){ @@ -5937,7 +5882,7 @@ } - setUpAndData(dispData, dosData/*, volume*/){ + setUpAndData(dispData, dosData){ this.hasDispData = (dispData !== undefined && dispData !== null); this.hasDosData = (dosData !== undefined && dosData !== null); @@ -5968,7 +5913,7 @@ if (this.hasDosData){ - this.dosPlotter.setPoints(dosData/*, volume*/); + this.dosPlotter.setPoints(dosData); if (this.hasDispData){ this.dosPlotter.setRepaintListener( (yZoom, yOffset) => { diff --git a/client/src/material-mod/BSDOSPlotter.js b/client/src/material-mod/BSDOSPlotter.js index 72b0b916..8dc4bffb 100644 --- a/client/src/material-mod/BSDOSPlotter.js +++ b/client/src/material-mod/BSDOSPlotter.js @@ -32,7 +32,7 @@ class BSDOSPlotter{ } - setUpAndData(dispData, dosData/*, volume*/){ + setUpAndData(dispData, dosData){ this.hasDispData = (dispData !== undefined && dispData !== null); this.hasDosData = (dosData !== undefined && dosData !== null); @@ -63,7 +63,7 @@ class BSDOSPlotter{ if (this.hasDosData){ - this.dosPlotter.setPoints(dosData/*, volume*/); + this.dosPlotter.setPoints(dosData); if (this.hasDispData){ this.dosPlotter.setRepaintListener( (yZoom, yOffset) => { diff --git a/client/src/material-mod/DOSPlotter.js b/client/src/material-mod/DOSPlotter.js index a4b75417..a2554f9e 100644 --- a/client/src/material-mod/DOSPlotter.js +++ b/client/src/material-mod/DOSPlotter.js @@ -24,7 +24,7 @@ class DOSPlotter extends InteractivePlotterBase{ } - setPoints(points/*, volume*/){ + setPoints(points){ this.pointsSpin1 = []; this.pointsSpin2 = []; @@ -36,18 +36,17 @@ class DOSPlotter extends InteractivePlotterBase{ let pointsY= points.dos_energies; let pointsXInPlotRange = []; let pointsYInPlotRange = []; -// console.log('setPoints volume',volume); for (var i = 0; i < pointsY.length; i++) { let energy = pointsY[i]/E_FACTOR; - let dos_value_spin1 = pSpin1[i]/(E_FACTOR/**volume*/); + let dos_value_spin1 = pSpin1[i]/(E_FACTOR); pointsXInPlotRange.push(dos_value_spin1); if (pSpin2 !== null) pointsXInPlotRange.push(pSpin2[i]); pointsYInPlotRange.push(energy); //console.log('POINTS : ',pointsX[i], energy); this.pointsSpin1.push({x: dos_value_spin1, y: energy}); if (pSpin2 !== null) - this.pointsSpin2.push({x: pSpin2[i]/(E_FACTOR/**volume*/), y: energy}); + this.pointsSpin2.push({x: pSpin2[i]/(E_FACTOR), y: energy}); } let maxDosVal = Math.max.apply(null, pointsXInPlotRange); diff --git a/client/src/material-mod/DataStore.js b/client/src/material-mod/DataStore.js index 07f84f2c..8a63d71d 100644 --- a/client/src/material-mod/DataStore.js +++ b/client/src/material-mod/DataStore.js @@ -116,7 +116,7 @@ function isInAnyNotDisabledGroup(calcId){ groups.forEach( (groupData, groupId) => { let representative = getCalc(getCalcReprIntId(groupId)); - let codeNameTrimed= representative.code_name.trim(); + //let codeNameTrimed= representative.code_name.trim(); //console.log('isInAnyGroup', calcId, groupData.calcs); /***** Exception: disable grouping for some codes diff --git a/client/src/material-mod/ElectronicStructDetails.view.js b/client/src/material-mod/ElectronicStructDetails.view.js index c2520d55..5683e156 100644 --- a/client/src/material-mod/ElectronicStructDetails.view.js +++ b/client/src/material-mod/ElectronicStructDetails.view.js @@ -263,33 +263,6 @@ class ElectronicStructDetails extends DetailsViewBase{ let calc = DataStore.getCalc(calcId); - /*** Temporary fix - let factor = calculateOriginalVolume(DataStore.getMaterialData().cell); - //setFermiVizContent(this.fermiBox, ''); - - function calculateOriginalVolume(cellData){ // (A x B) . C - let aVector = util.getNumberArray(cellData.a); - let bVector = util.getNumberArray(cellData.b); - let cVector = util.getNumberArray(cellData.c); - let cp = crossProduct(aVector, bVector); - // dot product - return (cp[0]*cVector[0] + cp[1]*cVector[1] + cp[2]*cVector[2]); - } - - function crossProduct(v1, v2) { - let vR = []; - vR[0] = ( (v1[1] * v2[2]) - (v1[2] * v2[1]) ); - vR[1] = - ( (v1[0] * v2[2]) - (v1[2] * v2[0]) ); - vR[2] = ( (v1[0] * v2[1]) - (v1[1] * v2[0]) ); - return vR; - } - - if (calc.code_name !== 'VASP'){ - if (calc.code_name === 'exciting') factor = 735; - else factor = 1; - } -*/ - if (!this.bsDosPlotter.isAttached()) this.bsDosPlotter.attach(this.element.querySelector('.calc-bs-dos-plotter') ,undefined,360); @@ -315,7 +288,7 @@ class ElectronicStructDetails extends DetailsViewBase{ //***util.addBandGapData(calcData, bsData); //console.log(calcData.dos_json); - this.bsDosPlotter.setUpAndData(bsData, dosData /*, factor*/); + this.bsDosPlotter.setUpAndData(bsData, dosData ); if (calc.has_band_structure){ diff --git a/client/src/material-mod/NavTree.js b/client/src/material-mod/NavTree.js index c48dd245..0c85b1bc 100644 --- a/client/src/material-mod/NavTree.js +++ b/client/src/material-mod/NavTree.js @@ -38,7 +38,8 @@ function buildCalcTree(calcs, calcsInGroups){ calcs.forEach( calc => { //if (!DataStore.isInAnyGroup(calc.id)) addToCalcTree(calc, calc.id+''); //****** Exception: disable grouping for some codes - if (!DataStore.isInAnyNotDisabledGroup(calc.id)) addToCalcTree(calc, calc.id+''); + if (!DataStore.isInAnyNotDisabledGroup(calc.id)) + addToCalcTree(calc, calc.id+''); }); diff --git a/client/src/material-mod/Overview.view.js b/client/src/material-mod/Overview.view.js index 39aec321..009a11d7 100644 --- a/client/src/material-mod/Overview.view.js +++ b/client/src/material-mod/Overview.view.js @@ -443,35 +443,7 @@ class Overview { if (e.target.status === 200){ let dosData= JSON.parse(e.target.response).dos; - /*** Temporary fix - let factor = calculateOriginalVolume(DataStore.getMaterialData().cell); - //setFermiVizContent(this.fermiBox, ''); - - function calculateOriginalVolume(cellData){ // (A x B) . C - let aVector = util.getNumberArray(cellData.a); - let bVector = util.getNumberArray(cellData.b); - let cVector = util.getNumberArray(cellData.c); - let cp = crossProduct(aVector, bVector); - //console.log(aVector, bVector, cp ); - // dot product - return (cp[0]*cVector[0] + cp[1]*cVector[1] + cp[2]*cVector[2]); - } - - function crossProduct(v1, v2) { - let vR = []; - vR[0] = ( (v1[1] * v2[2]) - (v1[2] * v2[1]) ); - vR[1] = - ( (v1[0] * v2[2]) - (v1[2] * v2[0]) ); - vR[2] = ( (v1[0] * v2[1]) - (v1[1] * v2[0]) ); - return vR; - } - - if (calcWithDOS.code_name !== 'VASP'){ - if (calcWithDOS.code_name === 'exciting') factor = 735; - else factor = 1; - } - */ - - this.dosPlotter.setPoints(dosData/*, factor*/);//paintPointsLine(dosData); + this.dosPlotter.setPoints(dosData);//paintPointsLine(dosData); this.dosCalcIdBox.innerHTML = 'From calculation <b>'+calcWithDOS.id+ '</b><br><span style="font-size: 0.8em">('+calcWithDOS.functional_type+' - '+calcWithDOS.code_name+')</span>'; if (dosData.dos_values.length === 2) -- GitLab