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#include "nsISupports.idl"
[scriptable, uuid(2FD55049-0125-48be-88E6-270B1B83A8A8)]
interface IRDMolecule : nsISupports
{
double GetMW();
string GetSmiles();
string GetMolBlock();
unsigned long GetSmartsMatchCount(in string smarts);
double LogP();
double MR();
void Generate3DCoords();
};
[scriptable, uuid(056a8da1-7820-41d7-b254-5ef7dd1693ce)]
interface IRDMolSupplier : nsISupports
{
boolean atEnd();
IRDMolecule next();
};
[scriptable, uuid(BFB9ACF3-9349-47ec-8984-F6F8E2F02F65)]
interface IRDKit : nsISupports
{
unsigned long strlen(in string arg);
IRDMolecule MolFromSmiles(in string smiles);
IRDMolecule MolFromMolBlock(in string molBlock);
IRDMolSupplier SupplierFromSDFile(in string fileName);
};
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