private bool ParseCovalentRadius(string s, Qualities q)
{
const string UNIT = Units.PicoMeter;
ValueQualifier vq = DoubleValue.FindQualifier(ref s);
int n = s.IndexOf(UNIT);
if (n > 0)
{
s = s.Substring(0, n - 1).Trim();
int n2 = s.IndexOf("–");
if (n2 > 0)
{
string[] parts = s.Split('–');
double d1, d2;
if (UnitValue.TryParse(parts[0], out d1) && UnitValue.TryParse(parts[1], out d2))
{
q.CovalentRadius = new UnitValue((d1 + d2) / 2, UNIT, vq);
return(true);
}
}
if (s.StartsWith("sp3"))
{
s = s.Substring(5);
}
double d;
if (UnitValue.TryParse(s, out d))
{
q.CovalentRadius = new UnitValue(d, UNIT, vq);
return(true);
}
}
return(false);
}
private bool ParseCriticalPoint(string s, Qualities q)
{
return(ParseTriple(s, Units.MegaPascals, tp =>
{
q.CriticalPoint = tp;
}));
}
private bool ParseTriplePoint(string s, Qualities q)
{
return(ParseTriple(s, Units.KiloPascals, tp =>
{
q.TriplePoint = tp;
}));
}
private bool ParseGroupBlock(string value, Qualities q)
{
const string GRP = "group", NA = "n/a";
if (String.IsNullOrEmpty(value))
{
return(false);
}
value = value.Trim();
if (!value.StartsWith(GRP))
{
return(false);
}
value = value.Substring(GRP.Length + 1);
int gnum;
if (value.StartsWith(NA))
{
gnum = 3;
}
else
if (!UnitValue.TryParse(value, out gnum))
{
return(false);
}
int ndx = value.IndexOf(',');
value = value.Substring(ndx + 2, 1);
Group grp = new Group(gnum, value, q.Element.Number == 1);
q.GroupBlock = grp;
return(true);
}
private bool ParseYoungsModulus(string s, Qualities q)
{
const string UNIT = "GPa", EST = "est.";
ValueQualifier vq = ValueQualifier.None;
int n = s.IndexOf(EST);
if (n > 0)
{
vq = ValueQualifier.Estimated;
s = s.Substring(n + EST.Length).Trim();
}
n = s.IndexOf(UNIT);
if (n > 0)
{
s = s.Substring(0, n - 1).Trim();
double d, d1;
if (DoubleValue.TryParseRange(s, out d, out d1))
{
d = (d + d1) / 2;
}
else
{
UnitValue.TryParse(s, out d);
}
if (!Double.IsNaN(d))
{
q.YoungsModulus = new UnitValue(d, UNIT, vq);
return(true);
}
}
return(false);
}
private bool ParseIntegers(string value, Qualities q)
{
// "+3, +2,[2] +1[3], −1, −2 (an amphoteric oxide)"
value = RemoveBrackets(value);
List <int> ri = new List <int>();
foreach (String s in value.Split(',', ' ', ';'))
{
if (String.IsNullOrWhiteSpace(s))
{
continue;
}
string ss = s;
if (ss[0] == '−')
{
ss = '-' + ss.Substring(1); // replace unicode $#8722
}
int i;
if (Int32.TryParse(ss, NumberStyles.AllowLeadingSign, null, out i))
{
ri.Add(i);
}
else
{
break;
}
}
if (ri.Count > 0)
{
SetValue(q, ri.ToArray());
return(true);
}
return(false);
}
private bool ParseBrinellHardness(string s, Qualities q)
{
const string UNIT = Units.MegaPascals;
const char DASH = '–';
int ndx = s.IndexOf(UNIT);
if (ndx > 0)
{
s = s.Substring(0, ndx - 1).Trim();
ndx = s.IndexOf(DASH);
if (ndx > 0)
{
string[] ss = s.Split(DASH);
double d1, d2;
if (UnitValue.TryParse(ss[0], out d1) && UnitValue.TryParse(ss[1], out d2))
{
q.BrinellHardness = new UnitValueRange(d1, d2, UNIT);
return(true);
}
}
else
{
double d;
if (UnitValue.TryParse(s, out d))
{
q.BrinellHardness = new UnitValueRange(d, d, UNIT);
return(true);
}
}
}
return(false);
}
private bool ParseElectricalResistivity(string v, Qualities q)
{
ValueQualifier vq = DoubleValue.FindQualifier(ref v);
string[] UNITS = { "nΩ·m", "Ω·m", "µΩ·m" };
double f = 1;
for (int i = 0; i < UNITS.Length; ++i)
{
string s = UNITS[i];
int ndx = v.IndexOf(s);
if (ndx > 0)
{
v = v.Substring(0, ndx - 1).Trim();
switch (i)
{
case 0: f = 0.001; break;
case 1: f = 1000000; break;
}
}
double d;
if (UnitValue.TryParse(v, out d))
{
q.ElectricalResistivity = new UnitValue(d * f, UNITS[2], vq);
return(true);
}
}
return(false);
}
private bool ParseCAS(string s, Qualities q)
{
s = StringEx.RemoveReferences(s);
if (s.IndexOf('\n') > 0)
{
s = s.Replace("\n", "; ");
}
q.CASNumber = s;
return(true);
}
private bool ParseInteger(string v, Qualities q)
{
int i;
if (UnitValue.TryParse(v, out i))
{
SetValue(q, i);
return(true);
}
return(false);
}
private bool ParseCrystalStructure(string v, Qualities q)
{
CrystalStructure cs;
if (CrystalStructureEx.TryParse(v, out cs))
{
q.CrystalStructure = cs;
return(true);
}
return(false);
}
private bool ParseDouble(string v, Qualities q)
{
double d;
if (UnitValue.TryParse(v, out d))
{
SetValue(q, d);
return(true);
}
return(false);
}
private bool ParseMagneticSusceptibility(string s, Qualities q)
{
s = StringEx.RemoveReferences(s);
double d;
if (DoubleValue.TryParseScientific(s, out d))
{
q.MagneticSusceptibility = new UnitValue(d, "cm3/mol");
return(true);
}
return(false);
}
private bool ParsePeriod(string v, Qualities q)
{
v = v.Replace("period", String.Empty).Trim();
int p;
if (Int32.TryParse(v, out p))
{
q.Period = p;
return(true);
}
return(false);
}
public bool TryGetNumeric(Qualities q, out double v)
{
v = Double.NaN;
object o = q.GetValue(QualityName);
if (o == null)
{
return(false);
}
v = (double)o;
return(true);
}
private bool SetValue(Qualities q, object v)
{
Type t = q.GetType();
PropertyInfo p = t.GetProperty(QualityName);
if (p == null)
{
throw new Exception(String.Format("Property Qualities.{0} not found", QualityName));
}
p.SetValue(q, v);
return(true);
}
private bool ParseElectronConfiguration(string s, Qualities q)
{
s = StringEx.RemoveReferences(s);
const string LB = "or\n";
ValueQualifier vq = DoubleValue.FindQualifier(ref s);
if (s.IndexOf(LB) > 0)
{
s = s.Replace(LB, ";");
}
q.ElectronConfiguration = new QualifiedString(s.Trim(), vq);
return(true);
}
private bool ParsePhase(string v, Qualities q)
{
v = StringEx.RemoveReferences(v);
try
{
q.Phase = new QualifiedPhase(v);
return(true);
}
catch (Exception)
{
return(false);
}
}
private bool ParseDiscovery(string s, Qualities q)
{
s = StringEx.RemoveReferences(s);
int n1 = s.LastIndexOf("("), n2 = s.LastIndexOf(')');
if (n1 > 0 && n2 > n1)
{
string disco = s.Substring(0, n1).Trim();
string syr = s.Substring(n1 + 1);
n1 = syr.IndexOf("June"); // Boron
if (n1 > 0)
{
syr = syr.Substring(n1 + 5).Trim();
}
bool isBC = syr.IndexOf("BCE") > 0;
double d;
if (UnitValue.TryParse(syr, out d))
{
int yr = (int)d;
if (isBC)
{
yr *= -1;
}
q.Discovery = new Discovery(disco, yr);
return(true);
}
}
else // Sn, Sb have no parens
{
n1 = s.IndexOf("BC");
if (n1 > 0)
{
string disco = String.Empty;
s = s.Substring(0, n1 - 1).Trim();
// before 5000
int nn = s.IndexOfAny(StringEx.Digits);
if (nn > 0)
{
disco = s.Substring(0, nn - 1).Trim();
s = s.Substring(nn).Trim();
}
double d;
if (UnitValue.TryParse(s, out d))
{
q.Discovery = new Discovery(disco, -(int)d);
return(true);
}
}
}
return(false);
}
private bool ParseHeatCapacity(string s, Qualities q)
{
const string UNITS = "J/(mol·K)";
s = StringEx.RemoveReferences(s);
double d;
if (UnitValue.TryParse(s, UNITS, out d))
{
q.MolarHeatCapacity = new UnitValue(d, UNITS);
return(true);
}
return(false);
}
/// <summary>
/// Read element qualities from the table
/// </summary>
/// <param name="fpath"></param>
public void ReadTable(string fpath)
{
string[] lines = File.ReadAllLines(fpath);
int nLine = 2;
foreach (Element e in this)
{
string line = lines[nLine++];
if (!line.StartsWith(e.Name))
{
throw new Exception(String.Format("Mismatch between element '{0}' and line '{1}'.", e.Name, line));
}
Qualities q = new Qualities(e);
q.ReadValues(line);
}
}
/// <summary>
/// Dump all qualities of all elements into a table.
/// </summary>
/// <param name="outDir"></param>
/// <param name="tblName"></param>
public void CreateTable(string outDir, string tblName = "")
{
if (String.IsNullOrEmpty(tblName))
{
tblName = "table.txt";
}
string fpath = Path.Combine(outDir, tblName);
StringBuilder s = new StringBuilder();
s.AppendLine(Qualities.QualityHeader());
s.AppendLine(Qualities.UnitsHeader());
foreach (Element e in this)
{
s.AppendLine(e.Qualities.Values());
}
File.WriteAllText(fpath, s.ToString());
}
private bool ParseSpeedOfSound(string s, Qualities q)
{
const string UNIT = "m/s";
int n = s.IndexOf(UNIT);
if (n > 0)
{
s = s.Substring(0, n - 1).Replace(",", String.Empty);
double d;
if (UnitValue.TryParse(s, out d))
{
q.SpeedOfSound = new UnitValue(d, UNIT);
return(true);
}
}
return(false);
}
private bool ParseBulkModulus(string s, Qualities q)
{
const string UNIT = Units.GigaPascals;
int ndx = s.IndexOf(UNIT);
if (ndx > 0)
{
s = s.Substring(0, ndx - 1).Trim();
double d;
if (UnitValue.TryParse(s, out d))
{
q.BulkModulus = new UnitValue(d, UNIT);
return(true);
}
}
return(false);
}
private bool ParseDU(string v, string unitName, Qualities q)
{
if (String.IsNullOrEmpty(v))
{
return(false);
}
v = StringEx.RemoveReferences(v);
ValueQualifier vq = DoubleValue.FindQualifier(ref v);
double d;
if (UnitValue.TryParse(v, unitName, out d))
{
UnitValue uv = new UnitValue(d, unitName, vq);
return(SetValue(q, uv));
}
return(false);
}
private bool ParseShearModulus(string s, Qualities q)
{
const string UNIT = "GPa";
s = StringEx.RemoveReferences(s);
double d;
if (s.IndexOf("–") > 0)
{
double d1, d2;
if (DoubleValue.TryParseRange(s, out d1, out d2))
{
d = (d1 + d2) / 2;
q.ShearModulus = new UnitValue(d, UNIT);
}
}
return(ParseDU(s, UNIT, q));
}
private bool ParseVanDerWaalsRadius(string s, Qualities q)
{
const string UNIT = "pm";
ValueQualifier vq = DoubleValue.FindQualifier(ref s);
int n = s.IndexOf(UNIT);
if (n > 0)
{
s = s.Substring(0, n - 1).Trim();
double d;
if (UnitValue.TryParse(s, out d))
{
q.VanDerWaalsRadius = new UnitValue(d, UNIT, vq);
return(true);
}
}
return(false);
}
private bool ParseAtomicRadius(string s, Qualities q)
{
const string UNIT = Units.PicoMeter;
ValueQualifier vq = DoubleValue.FindQualifier(ref s);
int ndx = s.IndexOf(UNIT);
if (ndx > 0)
{
s = s.Substring(0, ndx - 1).Trim();
double d;
if (UnitValue.TryParse(s, out d))
{
q.AtomicRadius = new UnitValue(d, UNIT, vq);
return(true);
}
}
return(false);
}
private bool ParseIE(string value, Qualities q)
{
// Parse Ionization Energies
// "1st: 499 kJ/mol\n2nd: 1170 kJ/mol\n3rd: 1900 kJ/mol\n(more)"
string[] parts = value.Split(':', '\n');
UnitValueList r = new UnitValueList();
foreach (string s in parts)
{
if (s.IndexOf("kJ/mol") > 0)
{
r.Add(new UnitValue(s));
}
}
if (r.Count > 0)
{
SetValue(q, r);
return(true);
}
return(false);
}
private bool ParseVickersHardness(string s, Qualities q)
{
string UNIT = "MPa";
int n = s.IndexOf(UNIT);
if (n > 0)
{
s = s.Substring(0, n - 1).Trim();
double d1, d2;
if (DoubleValue.TryParseRange(s, out d1, out d2))
{
q.VickersHardness = new UnitValueRange(d1, d2, UNIT);
}
else
if (UnitValue.TryParse(s, out d1))
{
q.VickersHardness = new UnitValueRange(d1, d1, UNIT);
}
}
return(q.VickersHardness != null);
}
