/// <summary>
/// Get molfile form of molecule doing a conversion from another format as necessary
/// </summary>
/// <returns></returns>
public string GetMolfileString()
{
string molfile = "", helm = "";
if (Lex.IsDefined(MolfileString))
{
return(MolfileString);
}
else if (Lex.IsDefined(ChimeString))
{
molfile = ChimeStringToMolfileString(ChimeString);
}
else if (Lex.IsDefined(SmilesString))
{
molfile = CdkMol.SmilesStringToMolfileString(SmilesString);
}
else if (Lex.IsDefined(InchiString))
{
molfile = CdkMol.InChIStringToMolfileString(PrimaryValue.ToString());
}
else if (Lex.IsDefined(HelmString))
{
molfile = HelmConverter.HelmToMolfile(this, HelmString);
}
else if (Lex.IsDefined(SequenceString))
{
helm = HelmConverter.SequenceToHelm(SequenceString);
HelmString = helm;
if (Lex.IsDefined(helm))
{
molfile = HelmConverter.HelmToMolfile(this, HelmString);
}
}
else if (Lex.IsDefined(FastaString))
{
helm = HelmConverter.FastaToHelm(FastaString);
HelmString = helm;
if (Lex.IsDefined(helm))
{
molfile = HelmConverter.HelmToMolfile(this, HelmString);
}
}
else
{
molfile = "";
}
MolfileString = molfile; // save for later possible reuse
return(MolfileString);
}
public override void Draw(
float offsetX,
float offsetY,
Renderer2D renderer)
{
DrawGauge(offsetX, offsetY, renderer, SecondaryValue, SecondaryGaugeColor);
DrawGauge(offsetX, offsetY, renderer, PrimaryValue, PrimaryGaugeColor);
float fontSize = Height - (2f * BorderWidth);
fontSize *= 0.8f;
renderer.Color = TextColor;
string format = asInteger ? "F0" : "F1";
if (string.IsNullOrEmpty(Label)) // ラベルがなければ両方の数字を左右に分けて出す
{
// primaryは左寄せ
renderer.AddText(
PrimaryValue.ToString(format),
offsetX + LocalLeftX + (BorderWidth * 2f),
offsetY + LocalTopY + (BorderWidth * 2f),
fontSize);
// secondaryは右寄せ
renderer.AddText(
SecondaryValue.ToString(format),
offsetX + LocalLeftX + Width - (BorderWidth * 2f),
offsetY + LocalTopY + (BorderWidth * 2f),
fontSize,
AlignX.Right);
}
else // ラベルがあれば左にラベル、右にプライマリの数値
{
renderer.AddText(
Label,
offsetX + LocalLeftX + (BorderWidth * 2f),
offsetY + LocalTopY + (BorderWidth * 2f),
fontSize);
// 数字は右寄せ
renderer.AddText(
PrimaryValue.ToString(format),
offsetX + LocalLeftX + Width - (BorderWidth * 2f),
offsetY + LocalTopY + (BorderWidth * 2f),
fontSize,
AlignX.Right);
}
}