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Add CT support

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Mickaël Véril 2021-11-09 10:51:47 +01:00 committed by Anthony Scemama
parent ebffabb384
commit 51e60c9c08
1 changed files with 10 additions and 7 deletions
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17
static/js/data.js
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@ -1,13 +1,14 @@
class excitationTypes { class excitationTypes {
static get Valence() { return new excitationType(1, new description("Valence")) } static get Valence() { return new excitationType(1, new description("Valence")) }
static get Rydberg() { return new excitationType(1 << 1, new description("Rydberg")) } static get Rydberg() { return new excitationType(1 << 1, new description("Rydberg")) }
static get PiPis() { return new excitationType(1 << 2, new description(String.raw`\pi \rightarrow \pi^\star`, true)) } static get CT() { return new excitationType(1 << 2, new description("CT")) }
static get nPis() { return new excitationType(1 << 3, new description(String.raw`n \rightarrow \pi^\star`, true)) } static get PiPis() { return new excitationType(1 << 3, new description(String.raw`\pi \rightarrow \pi^\star`, true)) }
static get Single() { return new excitationType(1 << 4, new description("Single")) } static get nPis() { return new excitationType(1 << 4, new description(String.raw`n \rightarrow \pi^\star`, true)) }
static get Double() { return new excitationType(1 << 5, new description("Double")) } static get Single() { return new excitationType(1 << 5, new description("Single")) }
static get SingletSinglet() { return new excitationType(1 << 6, new description(String.raw`\mathrm{Singlet} \rightarrow \mathrm{Singlet}`, true)) } static get Double() { return new excitationType(1 << 6, new description("Double")) }
static get SingletTriplet() { return new excitationType(1 << 7, new description(String.raw`\mathrm{Singlet} \rightarrow \mathrm{Triplet}`, true)) } static get SingletSinglet() { return new excitationType(1 << 7, new description(String.raw`\mathrm{Singlet} \rightarrow \mathrm{Singlet}`, true)) }
static get DoubletDoublet() { return new excitationType(1 << 8, new description(String.raw`\mathrm{Doublet} \rightarrow \mathrm{Doublet}`, true)) } static get SingletTriplet() { return new excitationType(1 << 8, new description(String.raw`\mathrm{Singlet} \rightarrow \mathrm{Triplet}`, true)) }
static get DoubletDoublet() { return new excitationType(1 << 9, new description(String.raw`\mathrm{Doublet} \rightarrow \mathrm{Doublet}`, true)) }
// Max bit shifts is 31 because int are int32 So 1 << 31 are -2147483648 // Max bit shifts is 31 because int are int32 So 1 << 31 are -2147483648
static get Others() { return new excitationType(1 << 31, new description("Others")) } static get Others() { return new excitationType(1 << 31, new description("Others")) }
static get All() { return EnumUltils.getAll(this, excitationType) } static get All() { return EnumUltils.getAll(this, excitationType) }
@ -185,6 +186,8 @@ class excitationBase {
this.type.Value = this.type | excitationTypes.Rydberg this.type.Value = this.type | excitationTypes.Rydberg
} else if (ty.includes(String.raw`\mathrm{V}`)) { } else if (ty.includes(String.raw`\mathrm{V}`)) {
this.type.Value = this.type | excitationTypes.Valence this.type.Value = this.type | excitationTypes.Valence
} else if (ty.includes(String.raw`\mathrm{CT}`)) {
this.type.Value = this.type | excitationTypes.CT
} else if (ty.toLowerCase()===excitationTypes.Double.description.string.toLowerCase()){ } else if (ty.toLowerCase()===excitationTypes.Double.description.string.toLowerCase()){
this.type.Value = this.type | excitationTypes.Double this.type.Value = this.type | excitationTypes.Double
} }