diff --git a/docs/datafileBuilder.md b/docs/datafileBuilder.md index b56ae7b2..f353aa25 100644 --- a/docs/datafileBuilder.md +++ b/docs/datafileBuilder.md @@ -151,7 +151,7 @@ that set the unsafe boolean value to `true ` in the output data file $^m s[\mathrm{F}](T)$ ``` -Where `m` is the multiplicity `s` is the symetry and `\mathrm{F}` if it is present specifies that the vertical transition is fluorescence +Where `m` is the multiplicity `s` is the symmetry and `\mathrm{F}` if it is present specifies that the vertical transition is fluorescence T is transition type and must be in the format diff --git a/static/js/data.js b/static/js/data.js index 109be428..b40346a9 100644 --- a/static/js/data.js +++ b/static/js/data.js @@ -101,17 +101,17 @@ class method { } class state { - constructor(number, multiplicity, symetry) { + constructor(number, multiplicity, symmetry) { this.number = number; this.multiplicity = multiplicity; - this.symetry = symetry; + this.symmetry = symmetry; }; toString() { - var str = this.number + ' ^' + this.multiplicity + this.symetry; + var str = this.number + ' ^' + this.multiplicity + this.symmetry; return str; }; toLaTeX() { - var tex = String.raw`${this.number}\:^{${this.multiplicity}}\mathrm{${this.symetry}}`; + var tex = String.raw`${this.number}\:^{${this.multiplicity}}\mathrm{${this.symmetry}}`; return tex; }; } @@ -241,7 +241,7 @@ class dataFileBase { } molsstr.filter((molstr) => { var params = molstr.split("\n")[1].split(",") - return (state === null || params[0] === `^${state.multiplicity}${state.symetry}`) && params[1] == `${this.method.name},${this.method.basis}` + return (state === null || params[0] === `^${state.multiplicity}${state.symmetry}`) && params[1] == `${this.method.name},${this.method.basis}` }) return molsstr.map((molstr) => { var params = molstr.split("\n")[1].split(",") diff --git a/tools/lib/data.py b/tools/lib/data.py index 1f68a7f0..34dbb4bd 100644 --- a/tools/lib/data.py +++ b/tools/lib/data.py @@ -11,10 +11,10 @@ import numpy as np import json class state: - def __init__(self,number, multiplicity, symetry): + def __init__(self,number, multiplicity, symmetry): self.number = number self.multiplicity = multiplicity - self.symetry = symetry + self.symmetry = symmetry @staticmethod def fromString(string): m=re.match(r"^(?P\d)\s*\^(?P\d)(?P\S*)",string) @@ -116,7 +116,7 @@ class dataFileBase(object): tmplst.append((mul,symm,trsp,tygrp)) lst=[] for index,item in enumerate(tmplst): - unforminitialstate=(int(initialState.multiplicity),initialState.symetry) + unforminitialstate=(int(initialState.multiplicity),initialState.symmetry) countlst=[unforminitialstate]+[(it[0],it[1]) for it in tmplst[:index+1]] countitem=(item[0],item[1]) count=countlst.count(countitem) @@ -233,10 +233,10 @@ class dataFileBase(object): mystr=" {:7s} {:5s} {:10s} {:7s} {:5s} {:12s} {:39s} {:13s} {:14s} {:13s}{}\n".format( str(ex.initial.number), str(ex.initial.multiplicity), - ex.initial.symetry, + ex.initial.symmetry, str(ex.final.number), str(ex.final.multiplicity), - ex.final.symetry,"("+str(ex.type)+")" if ex.type is not None else "_", + ex.final.symmetry,"("+str(ex.type)+")" if ex.type is not None else "_", str(ex.value) if ex.value is not None else "_", str(ex.T1) if ex.T1 is not None else "_", str(ex.oscilatorForces) if ex.oscilatorForces is not None else "_", diff --git a/tools/lib/formats/default/exoticColumnHandler.py b/tools/lib/formats/default/exoticColumnHandler.py index 218bfa97..9b000878 100644 --- a/tools/lib/formats/default/exoticColumnHandler.py +++ b/tools/lib/formats/default/exoticColumnHandler.py @@ -64,7 +64,7 @@ class exoticColumnHandler(formatHandlerBase): for exstr,values in exdic.items(): stDict=json.loads(exstr[0]) ty=exstr[1] - st=state(stDict["number"],stDict["multiplicity"],stDict["symetry"]) + st=state(stDict["number"],stDict["multiplicity"],stDict["symmetry"]) T1=values["\\%T_1"] if "\\%T_1" in values else None oF= values["f"] if "f" in values else None val,unsafe=values[""] diff --git a/tools/lib/formats/default/fromXLSToLaTeXHandler.py b/tools/lib/formats/default/fromXLSToLaTeXHandler.py index 4e9d6404..bf002bce 100644 --- a/tools/lib/formats/default/fromXLSToLaTeXHandler.py +++ b/tools/lib/formats/default/fromXLSToLaTeXHandler.py @@ -109,7 +109,7 @@ class fromXLSToLaTeXHandler(formatHandlerBase): for exstr,values in exdic.items(): stDict=json.loads(exstr[0]) ty=exstr[1] - st=state(stDict["number"],stDict["multiplicity"],stDict["symetry"]) + st=state(stDict["number"],stDict["multiplicity"],stDict["symmetry"]) T1=values["\\%T_1"] if "\\%T_1" in values else None oF= values["f"] if "f" in values else None val,unsafe= values[""] if "" in values else [None,False]