screening/lib/generateIconNMRFile.js

Tools for numbering screening plate

/**
 * Generate iconNMR text file from requests
 * @param requests - array of PlateRequest objects
 * @param options - options for generating the file
 * @returns iconNMR text file
 */
export function generateIconNMRFile(requests, options = {}) {
    const { eol = '\r\n', deleteExistingHolder = false, autoSubmit = false, } = options;
    const textFile = [];
    for (const request of requests) {
        let experimentNumberCounter = 1;
        const { holder } = request;
        if (deleteExistingHolder) {
            textFile.push(`USER ${request.user}`, `HOLDER ${holder}`, 'DELETE'); // this is required to delete already existing entries
        }
        textFile.push(`USER ${request.user}`, `HOLDER ${holder}`);
        if (!autoSubmit)
            textFile.push('NO_SUBMIT');
        textFile.push(`NAME ${request.name}`, `TITLE ${request.title}`);
        for (const experiment of request.experiments) {
            let experimentNumber = experiment.experimentNumber || experimentNumberCounter++;
            textFile.push(`EXPNO ${experimentNumber++}`, `SOLVENT ${experiment.solvent}`);
            if (experiment.parameters && experiment.parameters.length > 0) {
                const parameters = [];
                for (const parameter of experiment.parameters) {
                    parameters.push(parameter.label, parameter.value);
                }
                textFile.push(`PARAMETERS ${parameters.join(',')}`);
            }
            textFile.push(`EXPERIMENT ${experiment.experiment}`);
        }
        textFile.push('');
    }
    return textFile.join(eol);
}
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