bool MoleculePatternWasUsed(MoleculePattern moleculePattern, List <Molecule> molecules)
{
foreach (Molecule molecule in molecules)
{
if (molecule.stateWasUpdated && moleculePattern.Matches(molecule))
{
return(true);
}
}
return(false);
}
public virtual void SetStateOfComplex(Molecule molecule1, MoleculePattern productMolecule1, Molecule molecule2, MoleculePattern productMolecule2)
{
//get references to the reaction center molecules in this complex pattern
MoleculePattern productMoleculeRef1 = null, productMoleculeRef2 = null;
foreach (string moleculeName in moleculePatterns.Keys)
{
foreach (MoleculePattern moleculePattern in moleculePatterns[moleculeName])
{
if (productMolecule1.Matches(moleculePattern))
{
productMoleculeRef1 = moleculePattern;
}
else if (productMolecule2.Matches(moleculePattern))
{
productMoleculeRef2 = moleculePattern;
}
}
}
//set states of attached molecules
SetProductStatesOfAttachedMolecules(molecule1, productMoleculeRef1);
SetProductStatesOfAttachedMolecules(molecule2, productMoleculeRef2);
}
