Paolo, _Name might be considered a private property, you might need to use

GetPropNames(True,True) or something like that.

----
Brian Kelley

> On Oct 13, 2016, at 6:56 AM, Paolo Tosco <paolo.to...@unito.it> wrote:
> 
> Hi Hongbin,
> 
> suppl[0].GetPropNames() is an interable object, so you can use it in for 
> loops such as:
> 
> for i in suppl[0].GetPropNames():
>   print (i)
> 
> or you may convert it to a list:
> 
> l = list(suppl[0].GetPropNames())
> print (l)
> 
> Cheers,
> p.
> 
>> On 10/13/16 11:31, 杨弘宾 wrote:
>> Hi,
>>     I spent a lot of time to explorer "How to get the property of name when 
>> using SmilesMolSupplier"
>> 
>> I had a smiles file like this:
>> ===
>> c1ccccc1\t1\n
>> ...
>> ===
>> where 1 means that it is positve
>> 
>> So I wanted to read this smiles file via SMilesMolSupplier and I knew that 
>> the second column is the default name column.
>> suppl = 
>> Chem.SmilesMolSupplier('compounds.smi',delimiter='\t',titleLine=False)
>> 
>> However, I could not get the property of 1 because I had no idea what the 
>> property_name was.
>> In the document, it shows that :
>> If the input file has a title line and more than two columns (smiles and 
>> id), the
>> additional columns will be used to set properties on each molecule.  The 
>> properties
>> are accessible using the mol.GetProp(propName) method.
>> But It was a "no title table", So I thought its property_name of "their 
>> names" should be "Name" or "name" as default. And I failed...
>> After read the source code, I found that it should be _Name
>> https://github.com/rdkit/rdkit/blob/f4529c910e546af590c56eba01f96e9015c269a6/Code/GraphMol/FileParsers/SmilesMolSupplier.cpp#L194
>>  
>> I think the document should be improved so that others may know how to get 
>> the name of each compound
>> BTW, I tried to use suppl[0].GetPropNames() but only to get 
>> "<rdkit.rdBase._vectclass std::basic_string<char,struct 
>> std::char_traits<char>,class std::allocator<char> > at 0x7402e90>" that 
>> seemed tell nothing. I wondered that is there any way to make it readable in 
>> python?
>> 
>> Hongbin Yang 杨弘宾 
>> Research: Toxicophore and Chemoinformatics
>> Pharmaceutical Science, School of Pharmacy 
>> East China University of Science and Technology 
>> 
>> 
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