SMILE format thow the error.

Hi,

 

We have using the .Net application. When try to use the SMILE format for below method :

ChemAxon.NET.IKVM.Chemistry.JChemMolecule molecule = new ChemAxon.NET.IKVM.Chemistry.JChemMolecule(new ChemAxon.NET.Base.Chemistry.Data.MoleculeData("OC(=O)\C=C\C(O)=O.CCCCCCCCOc1ccc(cc1C(F)(F)F)-[14c]1nnc(s1)[C@@](C)(N)CO", MoleculeFormat.SMILES));IJChemMolecule largestFragment = molecule.Calculations.LargestFragment;

Application is throwing the  this "Error 1 Unrecognized escape sequence" Error. Please provide the .Net what are the SMILE format wont support and also provide the solution for this,

 

Regards

Siva

Hi,

(moved to a more a appopriate forum section)

At first sight the problem is the following:

In most languages a single backslash ("\") indicates an escape character to be combined with other characters, e.g. "\n" means a new line.

"\C" is not such a valid combination in this case, hence the error.

You may want to use "\\" in string literals to represent a single "\".

Best regards,

Szilard

 

Hi,

Thanks for support, Any other format like single backslash ("\") is not supported for SMILE format in .net application. Please provide the detail for this. It is useful to handle in our application

 

Regards

Siva

We support all SMILES features, this problem has nothing to do with SMILES or ChemAxon software.

It is a simple, general programing mistake that you haven't replaced "\" with "\\" in your string literal to preserve correct meaning.

Please read about how to use "string literals" in your programming language.

For example:

http://msdn.microsoft.com/en-us/library/aa691090(v=vs.71).aspx

Best,

Szilard