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Merge branch 'master' into ADC

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This commit is contained in:
Mickaël Véril 2020-08-26 15:14:13 +02:00
commit 925f6a5e80
7 changed files with 15 additions and 18 deletions
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7
content/dataset.html
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@ -16,7 +16,6 @@ draft: false
<script src="/js/processingIndicator.js"></script> <script src="/js/processingIndicator.js"></script>
<script src="/js/noNan.js"></script> <script src="/js/noNan.js"></script>
<script src="/js/websiteFile.js"></script> <script src="/js/websiteFile.js"></script>
<script src="/js/getPublis.js"></script>
<script src="/js/DOICache.js"></script> <script src="/js/DOICache.js"></script>
<script src="/js/nestedCheckbox.js"></script> <script src="/js/nestedCheckbox.js"></script>
<script src="/js/selectSelectAll.js"></script> <script src="/js/selectSelectAll.js"></script>
@ -215,6 +214,7 @@ draft: false
selects.each(function() { selects.each(function() {
AllValsCache.set(this.name,getAllVals(this)) AllValsCache.set(this.name,getAllVals(this))
}) })
var AAllValsCache = Array.from(AllValsCache) var AAllValsCache = Array.from(AllValsCache)
var vals = uniq(window.dats.filter(d => { var vals = uniq(window.dats.filter(d => {
return AAllValsCache.every(([k,v]) => { return AAllValsCache.every(([k,v]) => {
@ -233,6 +233,10 @@ draft: false
if (name === "DOI") { if (name === "DOI") {
let newvals = [] let newvals = []
for (const val of vals) { for (const val of vals) {
if (val==="") {
newvals.push([""])
}
else {
for (const set of publis.sets.values()) { for (const set of publis.sets.values()) {
if (set.includes(val)) { if (set.includes(val)) {
if (!newvals.some(v=>JSON.stringify(v)===JSON.stringify(set))) { if (!newvals.some(v=>JSON.stringify(v)===JSON.stringify(set))) {
@ -241,6 +245,7 @@ draft: false
} }
} }
} }
}
vals = newvals vals = newvals
} }
textSelctor = function (value) { textSelctor = function (value) {

1
content/publications.html
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@ -10,7 +10,6 @@ draft: false
<script src="/js/getTextFromFile.js" type="text/javascript"></script> <script src="/js/getTextFromFile.js" type="text/javascript"></script>
<script src="/js/trueTypeOf.js" type="text/javascript"></script> <script src="/js/trueTypeOf.js" type="text/javascript"></script>
<script src="/js/uniq.js"></script> <script src="/js/uniq.js"></script>
<script src="/js/getPublis.js"></script>
<script src="/js/websiteFile.js"></script> <script src="/js/websiteFile.js"></script>
<script src="/js/numberUtils.js"></script> <script src="/js/numberUtils.js"></script>
<script src="/js/DebugMode.js"></script> <script src="/js/DebugMode.js"></script>

2
docs/examples/tbe.tex
View File

@ -73,7 +73,7 @@
&$^3B_2 (\mathrm{V};\pi \rightarrow \pis)$ & &98.0 &4.38 & {\exCI}/AVTZ &AVQZ & 4.38 \\ &$^3B_2 (\mathrm{V};\pi \rightarrow \pis)$ & &98.0 &4.38 & {\exCI}/AVTZ &AVQZ & 4.38 \\
&$^3B_1 (\mathrm{V};\sigma \rightarrow \pis)$ & &98.9 &6.45 & & & 6.45 \\ &$^3B_1 (\mathrm{V};\sigma \rightarrow \pis)$ & &98.9 &6.45 & & & 6.45 \\
Diazomethane &$^1A_2 (\mathrm{V};\pi \rightarrow \pis)$ & &90.1 &3.14 &{\exCI}/AVTZ & dAVQZ &3.13 \\ Diazomethane &$^1A_2 (\mathrm{V};\pi \rightarrow \pis)$ & &90.1 &3.14 &{\exCI}/AVTZ & dAVQZ &3.13 \\
&$^1B_1 (\Ryd;\pi \rightarrow 3s)$ & 0.002 &93.8 &5.54 & & &5.59 \\ &$^1B_1 (\Ryd;\pi \rightarrow 3s)$ & 0.016 &93.8 &5.54 & & &5.59 \\
&$^1A_1 (\mathrm{V};\pi \rightarrow \pis)$ & 0.210 &91.4 &5.90 & & & 5.89 \\ &$^1A_1 (\mathrm{V};\pi \rightarrow \pis)$ & 0.210 &91.4 &5.90 & & & 5.89 \\
&$^3A_2 (\mathrm{V};\pi \rightarrow \pis)$ & &97.7 &2.79$^a$ & {\exCI}/AVDZ & dAVQZ &2.80 \\ &$^3A_2 (\mathrm{V};\pi \rightarrow \pis)$ & &97.7 &2.79$^a$ & {\exCI}/AVDZ & dAVQZ &2.80 \\
&$^3A_1 (\mathrm{V};\pi \rightarrow \pis)$ & &98.6 &4.05 & {\exCI}/AVTZ & dAVQZ &4.05 \\ &$^3A_1 (\mathrm{V};\pi \rightarrow \pis)$ & &98.6 &4.05 & {\exCI}/AVTZ & dAVQZ &4.05 \\

2
static/data/abs/diazomethane_TBE(FC)_aug-cc-pVTZ.dat
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@ -9,7 +9,7 @@
####################### ####################### ######################################## ############# ####### ################### ############## ####################### ####################### ######################################## ############# ####### ################### ##############
# Number Spin Symm Number Spin Symm type E_abs %T1 f is unsafe # Number Spin Symm Number Spin Symm type E_abs %T1 f is unsafe
1 1 A_1 1 1 A_2 (\mathrm{V};\pi \rightarrow \pi^\star) 3.14 90.1 _ false 1 1 A_1 1 1 A_2 (\mathrm{V};\pi \rightarrow \pi^\star) 3.14 90.1 _ false
1 1 A_1 1 1 B_1 (\mathrm{R};\pi \rightarrow 3s) 5.54 93.8 0.002 false 1 1 A_1 1 1 B_1 (\mathrm{R};\pi \rightarrow 3s) 5.54 93.8 0.016 false
1 1 A_1 2 1 A_1 (\mathrm{V};\pi \rightarrow \pi^\star) 5.90 91.4 0.210 false 1 1 A_1 2 1 A_1 (\mathrm{V};\pi \rightarrow \pi^\star) 5.90 91.4 0.210 false
1 1 A_1 1 3 A_2 (\mathrm{V};\pi \rightarrow \pi^\star) 2.79 97.7 _ false 1 1 A_1 1 3 A_2 (\mathrm{V};\pi \rightarrow \pi^\star) 2.79 97.7 _ false
1 1 A_1 1 3 A_1 (\mathrm{V};\pi \rightarrow \pi^\star) 4.05 98.6 _ false 1 1 A_1 1 3 A_1 (\mathrm{V};\pi \rightarrow \pi^\star) 4.05 98.6 _ false

2
static/data/abs/diazomethane_TBE_CBS.dat
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@ -9,7 +9,7 @@
####################### ####################### ######################################## ############# ####### ################### ############## ####################### ####################### ######################################## ############# ####### ################### ##############
# Number Spin Symm Number Spin Symm type E_abs %T1 f is unsafe # Number Spin Symm Number Spin Symm type E_abs %T1 f is unsafe
1 1 A_1 1 1 A_2 (\mathrm{V};\pi \rightarrow \pi^\star) 3.13 90.1 _ false 1 1 A_1 1 1 A_2 (\mathrm{V};\pi \rightarrow \pi^\star) 3.13 90.1 _ false
1 1 A_1 1 1 B_1 (\mathrm{R};\pi \rightarrow 3s) 5.59 93.8 0.002 false 1 1 A_1 1 1 B_1 (\mathrm{R};\pi \rightarrow 3s) 5.59 93.8 0.016 false
1 1 A_1 2 1 A_1 (\mathrm{V};\pi \rightarrow \pi^\star) 5.89 91.4 0.210 false 1 1 A_1 2 1 A_1 (\mathrm{V};\pi \rightarrow \pi^\star) 5.89 91.4 0.210 false
1 1 A_1 1 3 A_2 (\mathrm{V};\pi \rightarrow \pi^\star) 2.80 97.7 _ false 1 1 A_1 1 3 A_2 (\mathrm{V};\pi \rightarrow \pi^\star) 2.80 97.7 _ false
1 1 A_1 1 3 A_1 (\mathrm{V};\pi \rightarrow \pi^\star) 4.05 98.6 _ false 1 1 A_1 1 3 A_1 (\mathrm{V};\pi \rightarrow \pi^\star) 4.05 98.6 _ false

2
static/js/PubliDB.js
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@ -27,7 +27,7 @@ class publiDB {
return setname return setname
} }
if (supportUnknow && doi === "") { if (supportUnknow && doi === "") {
return UnknowSetName return publiDB.UnknowSetName
} }
return null return null
} }

7
static/js/getPublis.js
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@ -1,7 +0,0 @@
async function getPublis() {
const text = await getTextFromFileUrlAsync("/data/publis/index.yaml")
const myYaml=jsyaml.load(text);
myYaml.sets= ((myYaml.sets===null) ? new Map() : new Map(Object.entries(myYaml.sets)));
myYaml.others=((myYaml.others===null) ? new Map() : new Map(Object.entries(myYaml.others)));
return myYaml
}