private static bool IsDataSetValid(
QQDataSet dataSet,
int n,
int l,
ColorState colorState,
List <PotentialType> potentialTypes,
double minTemperature,
double maxTemperature
)
{
bool isValid = (dataSet.N == n) &&
(dataSet.L == l) &&
(dataSet.ColorState == colorState) &&
potentialTypes.Contains(dataSet.PotentialType) &&
(dataSet.Temperature >= minTemperature) &&
(dataSet.Temperature <= maxTemperature);
return(isValid);
}
public static string MakeDataLine(
QQDataSet dataSet
)
{
return(string.Format(
" " + ColumnFormat,
dataSet.N.ToString(),
dataSet.L.ToString(),
dataSet.ColorState.ToString(),
dataSet.PotentialType.ToString(),
dataSet.Temperature.ToString("G6"),
dataSet.DebyeMass.ToString("G6"),
dataSet.DisplacementRMS.ToString("G6"),
dataSet.SoftScale.ToString("G6"),
dataSet.UltraSoftScale.ToString("G6"),
dataSet.BoundMass.ToString("G6"),
dataSet.Energy.ToString("G6"),
dataSet.GammaDamp.ToString("G6"),
dataSet.GammaDiss.ToString("G6"),
dataSet.GammaTot.ToString("G6")));
}
public static void Write(
string pathFile,
QQDataSet dataSet
)
{
// read whole data file
List <string> allLines = new List <string>(File.ReadAllLines(pathFile));
int lineIndex = FindLineIndex(allLines, dataSet.N, dataSet.L, dataSet.ColorState,
dataSet.PotentialType, dataSet.Temperature, out bool lineFound);
if (lineFound)
{
allLines[lineIndex] = MakeDataLine(dataSet);
}
else
{
allLines.Insert(lineIndex, MakeDataLine(dataSet));
}
File.WriteAllLines(pathFile, allLines);
}
// Extract a list of values from the QQ-data file with specified N, L, color state and
// potential type within a given temperature region.
// If no values are found an empty list is returned.
private static List <QQDataSet> GetDataSets(
string pathFile,
int n,
int l,
ColorState colorState,
List <PotentialType> potentialTypes,
double minTemperature,
double maxTemperature
)
{
List <QQDataSet> dataSetList = new List <QQDataSet>();
// read whole data file
List <string> allLines = new List <string>(File.ReadAllLines(pathFile));
// go through the data file and find the wanted data
foreach (string currentLine in allLines)
{
// skip commentary
if (IsCommentaryLine(currentLine))
{
continue;
}
QQDataSet dataSet = ExtractDataSet(currentLine);
if (!IsDataSetValid(dataSet, n, l, colorState, potentialTypes, minTemperature, maxTemperature))
{
continue;
}
// add the data to the list and check the next line
dataSetList.Add(dataSet);
}
return(dataSetList);
}