Calculate MW based on the Molecule Formula throw the error

User fec9e52845

23-04-2014 06:42:39


Hi,

 



We have using the .NET API Application. Using the ElementalAnalyser to calculate the MW based on MF,

 



When Try Use this formula 2(C26H28O).2(ClH).C4H8  Then Throwing the Error.Seems like “2().2()” Formula is not accepting




Please find sample code below.



 


ElementalAnalyser ws = new ElementalAnalyser();

 



ws.setMolecule("2(C26H28O).2(ClH).C4H8");

 


double Mass1 = ws.mass();

 


Please provide the solution for this or any other approach is available

 


Regards
Siva

 


 





ChemAxon d26931946c

06-05-2014 06:12:26

Hi Siva,


 


This is a bug, thanks for reporting it.


We will notify you when it's fixed.


BRs,


Peter

ChemAxon 712bc8fcf4

06-05-2014 13:02:35

Hi Siva,


The 6.4 version will contain the fix.


Best Regards,
Mate