/// <summary> /// Reads all the structures stored in all the files specified /// specified. /// </summary> /// <param name="fileNames">The paths to the files to be read.</param> /// <returns>An IEnumerable over the structures contained in the files</returns> public static IEnumerable<OBMol> ReadFiles(params string[] fileNames) { OBMol obMol; foreach (string fileName in fileNames) { obMol = new OBMol(); //would be better to record the error and move on //then make the class non-static and allow access to the //errors if (!File.Exists(fileName)) throw new FileNotFoundException("Could not find file : " + fileName); converter.SetInFormat(OBConversion.FormatFromExt(fileName)); converter.ReadFile(obMol, fileName); yield return obMol; while (converter.Read(obMol)) yield return obMol; } }
public static bool WriteFile(OBMol mol, string fileName) { return WriteFile(mol, OBConversion.FormatFromExt(fileName).GetID(), fileName); }
public static bool WriteFile(OBMol mol, string format, string fileName) { writer.SetOutFormat(format); return writer.WriteFile(mol, fileName); }
public static string GetFileText(OBMol mol, string format) { return writer.WriteString(mol); }