mail.com]
Sent: 04 August 2012 15:49
To: Gonzalo Colmenarejo-Sanchez
Cc: rdkit-discuss@lists.sourceforge.net
Subject: Re: [Rdkit-discuss] SmilesToMol runtime error
On Fri, Aug 3, 2012 at 4:57 PM, Gonzalo Colmenarejo-Sanchez
wrote:
>
> Greg, are you planning to add a "Getting s
On Fri, Aug 3, 2012 at 4:57 PM, Gonzalo Colmenarejo-Sanchez
wrote:
>
> Greg, are you planning to add a "Getting started with the RDKit in C++"
> chapter in the documentation? It would help C++ users a lot.
>
The thought has definitely crossed my mind, but since it's a
good-sized chunk of work an
Sent: 03 August 2012 15:20
To: Gonzalo Colmenarejo-Sanchez
Cc: rdkit-discuss@lists.sourceforge.net
Subject: Re: [Rdkit-discuss] SmilesToMol runtime error
On Fri, Aug 3, 2012 at 6:17 AM, DAvid Cosgrove
wrote:
> Hi,
>
>
>
> It's a minor point in the discussion, maybe,
On Fri, Aug 3, 2012 at 6:17 AM, DAvid Cosgrove
wrote:
> Hi,
>
>
>
> It’s a minor point in the discussion, maybe, but Meyers’ ‘More Effective
> C++’ recommends always catching exceptions by reference. It’s quicker than
> catching by value because it avoids copy construction, and, more
> importantl
Hi,
It’s a minor point in the discussion, maybe, but Meyers’ ‘More Effective
C++’ recommends always catching exceptions by reference. It’s quicker than
catching by value because it avoids copy construction, and, more
importantly, it avoids the problem of class slicing if a derived class
excepti
On 02/08/12 14:48, Gonzalo Colmenarejo-Sanchez wrote:
Hi,
I have a c++ code that uses SmilesToMol. As soon as there is one
SMILES that the program fails to sanitize I get an error message like
this:
/[13:46:35] Explicit valence for atom # 15 N, 5, is greater than
permitted/
/terminate ca
Hi,
I have a c++ code that uses SmilesToMol. As soon as there is one SMILES that
the program fails to sanitize I get an error message like this:
[13:46:35] Explicit valence for atom # 15 N, 5, is greater than permitted
terminate called after throwing an instance of 'RDKit::MolSanitizeException'
7 matches
Mail list logo
