Esempio n. 1
0
        internal static System.String determineAtomSetCollectionReader(System.IO.StreamReader bufferedReader)
        {
            System.String[]   lines = new System.String[4];
            LimitedLineReader llr   = new LimitedLineReader(bufferedReader, 16384);

            for (int i = 0; i < lines.Length; ++i)
            {
                lines[i] = llr.readLineWithNewline();
            }
            if (lines[3].Length >= 6)
            {
                System.String line4trimmed = lines[3].Trim();
                if (line4trimmed.EndsWith("V2000") || line4trimmed.EndsWith("v2000") || line4trimmed.EndsWith("V3000"))
                {
                    return("Mol");
                }
                try
                {
                    System.Int32.Parse(lines[3].Substring(0, (3) - (0)).Trim());
                    System.Int32.Parse(lines[3].Substring(3, (6) - (3)).Trim());
                    return("Mol");
                }
                catch (System.FormatException nfe)
                {
                }
            }
            try
            {
                /*int atomCount = */
                System.Int32.Parse(lines[0].Trim());
                return("Xyz");
            }
            catch (System.FormatException e)
            {
            }
            try
            {
                SupportClass.Tokenizer tokens = new SupportClass.Tokenizer(lines[0].Trim(), " \t");
                if ((tokens != null) && (tokens.Count >= 2))
                {
                    System.Int32.Parse(tokens.NextToken().Trim());
                    return("FoldingXyz");
                }
            }
            catch (System.FormatException e)
            {
                //
            }
            // run these loops forward ... easier for people to understand
            for (int i = 0; i < startsWithRecords.Length; ++i)
            {
                System.String[] recordTags = startsWithRecords[i];
                for (int j = 0; j < recordTags.Length; ++j)
                {
                    System.String recordTag = recordTags[j];
                    for (int k = 0; k < lines.Length; ++k)
                    {
                        if (lines[k].StartsWith(recordTag))
                        {
                            return(startsWithFormats[i]);
                        }
                    }
                }
            }
            for (int i = 0; i < containsRecords.Length; ++i)
            {
                System.String[] recordTags = containsRecords[i];
                for (int j = 0; j < recordTags.Length; ++j)
                {
                    System.String recordTag = recordTags[j];
                    for (int k = 0; k < lines.Length; ++k)
                    {
                        if (lines[k].IndexOf(recordTag) != -1)
                        {
                            return(containsFormats[i]);
                        }
                    }
                }
            }

            if (lines[1] == null || lines[1].Trim().Length == 0)
            {
                return("Jme"); // this is really quite broken :-)
            }
            return(null);
        }
Esempio n. 2
0
        internal static System.String determineAtomSetCollectionReader(System.IO.StreamReader bufferedReader, JmolAdapter.Logger logger)
        {
            System.String[] lines = new System.String[4];
            LimitedLineReader llr = new LimitedLineReader(bufferedReader, 16384);
            for (int i = 0; i < lines.Length; ++i)
                lines[i] = llr.readLineWithNewline();
            if (lines[3].Length >= 6)
            {
                System.String line4trimmed = lines[3].Trim();
                if (line4trimmed.EndsWith("V2000") || line4trimmed.EndsWith("v2000") || line4trimmed.EndsWith("V3000"))
                    return "Mol";
                try
                {
                    System.Int32.Parse(lines[3].Substring(0, (3) - (0)).Trim());
                    System.Int32.Parse(lines[3].Substring(3, (6) - (3)).Trim());
                    return "Mol";
                }
                catch (System.FormatException nfe)
                {
                }
            }
            try
            {
                /*int atomCount = */
                System.Int32.Parse(lines[0].Trim());
                return "Xyz";
            }
            catch (System.FormatException e)
            {
            }
            try
            {
                SupportClass.Tokenizer tokens = new SupportClass.Tokenizer(lines[0].Trim(), " \t");
                if ((tokens != null) && (tokens.Count >= 2))
                {
                    System.Int32.Parse(tokens.NextToken().Trim());
                    return "FoldingXyz";
                }
            }
            catch (System.FormatException e)
            {
                //
            }
            // run these loops forward ... easier for people to understand
            for (int i = 0; i < startsWithRecords.Length; ++i)
            {
                System.String[] recordTags = startsWithRecords[i];
                for (int j = 0; j < recordTags.Length; ++j)
                {
                    System.String recordTag = recordTags[j];
                    for (int k = 0; k < lines.Length; ++k)
                    {
                        if (lines[k].StartsWith(recordTag))
                            return startsWithFormats[i];
                    }
                }
            }
            for (int i = 0; i < containsRecords.Length; ++i)
            {
                System.String[] recordTags = containsRecords[i];
                for (int j = 0; j < recordTags.Length; ++j)
                {
                    System.String recordTag = recordTags[j];
                    for (int k = 0; k < lines.Length; ++k)
                    {
                        if (lines[k].IndexOf(recordTag) != -1)
                            return containsFormats[i];
                    }
                }
            }

            if (lines[1] == null || lines[1].Trim().Length == 0)
                return "Jme"; // this is really quite broken :-)
            return null;
        }