本文整理匯總了C#中Atom.getBuilder方法的典型用法代碼示例。如果您正苦於以下問題:C# Atom.getBuilder方法的具體用法?C# Atom.getBuilder怎麽用?C# Atom.getBuilder使用的例子?那麽, 這裏精選的方法代碼示例或許可以為您提供幫助。您也可以進一步了解該方法所在類Atom
的用法示例。
在下文中一共展示了Atom.getBuilder方法的1個代碼示例,這些例子默認根據受歡迎程度排序。您可以為喜歡或者感覺有用的代碼點讚,您的評價將有助於係統推薦出更棒的C#代碼示例。
示例1: prepareAtomWeights
/**
* Prepare atom weights. Get all atom weights from the sum formula
*
* @param mol the mol
*/
private bool prepareAtomWeights(IAtomContainer mol)
{
var molecularFormula = MolecularFormulaTools.GetMolecularFormula(mol);
var elements = MolecularFormulaManipulator.elements(molecularFormula);
foreach (var element in elements.ToWindowsEnumerable<IElement>())
{
IAtom a = new Atom(element);
try
{
IsotopeFactory.getInstance(a.getBuilder()).configure(a);
}
catch (IllegalArgumentException)
{
// This means it failed to get the mass for this element, so its an unknown element like "R" for example
return false;
}
//get mass and store in map
atomMasses[element.getSymbol()] = a.getExactMass().doubleValue();
}
return true;
}