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