/** * Copyright (c) 2019 mol* contributors, licensed under MIT, See LICENSE file for more info. * * @author Alexander Rose <alexander.rose@weirdbyte.de> */ import { TokenBuilder, Tokens } from 'mol-io/reader/common/text/tokenizer'; export function guessElementSymbolTokens(tokens: Tokens, str: string, start: number, end: number) { let s = start, e = end - 1 // trim spaces and numbers let c = str.charCodeAt(s) while ((c === 32 || (c >= 48 && c <= 57)) && s <= e) c = str.charCodeAt(++s) c = str.charCodeAt(e) while ((c === 32 || (c >= 48 && c <= 57)) && e >= s) c = str.charCodeAt(--e) ++e if (s === e) return TokenBuilder.add(tokens, s, e) // empty if (s + 1 === e) return TokenBuilder.add(tokens, s, e) // one char c = str.charCodeAt(s) if (s + 2 === e) { // two chars const c2 = str.charCodeAt(s + 1) if ( ((c === 78 || c === 110) && (c2 === 65 || c2 === 97)) || // NA na Na nA ((c === 67 || c === 99) && (c2 === 76 || c2 === 108)) || // CL ((c === 70 || c === 102) && (c2 === 69 || c2 === 101)) // FE ) return TokenBuilder.add(tokens, s, s + 2) } if ( c === 67 || c === 99 || // C c c === 72 || c === 104 || // H h c === 78 || c === 110 || // N n c === 79 || c === 111 || // O o c === 80 || c === 112 || // P p c === 83 || c === 115 // S s ) return TokenBuilder.add(tokens, s, s + 1) TokenBuilder.add(tokens, s, s) // no reasonable guess, add empty token } export function guessElementSymbolString(str: string) { // trim spaces and numbers, convert to upper case str = str.trim().toUpperCase() const l = str.length if (l === 0) return str // empty if (l === 1) return str // one char if (l === 2) { // two chars if (str === 'NA' || str === 'CL' || str === 'FE') return str } const c = str[0] if (c === 'C' || c === 'H' || c === 'N' || c === 'O' || c === 'P' || c === 'S') return c return '' // no reasonable guess, return empty string }