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@@ -29,12 +29,18 @@ export interface SdfFile {
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const delimiter = '$$$$';
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+const formalChargePrefix = 'M CHG';
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+
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function handleDataItems(tokenizer: Tokenizer): { dataHeader: Column<string>, data: Column<string> } {
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const dataHeader = TokenBuilder.create(tokenizer.data, 32);
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const data = TokenBuilder.create(tokenizer.data, 32);
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while (tokenizer.position < tokenizer.length) {
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const line = Tokenizer.readLine(tokenizer);
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+ if (line.startsWith(formalChargePrefix)) {
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+ console.log('charge found');
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+ console.log(line);
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+ }
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if (line.startsWith(delimiter)) break;
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if (!line) continue;
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