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Update index for symmetry in geometry parser

This commit is contained in:
Mickaël Véril 2020-09-27 17:11:10 +02:00
parent 503c18fd32
commit 21ff5e0129

View File

@ -246,7 +246,7 @@ class dataFileBase {
return molsstr.map((molstr) => {
var params = molstr.split("\n")[1].split(",")
var regex=/^\^(\d+)(.+)$/
var m=params[0].match(regex)
var m=params[1].match(regex)
return {
name: this.molecule,
multiplicity:m[1],