Dear Greg,
I am very sorry - I have found the problem: the code is inside the loop and
pointer have been deleted after push_back into vector and for this reason
pointer in vector was not valid any more
Regards,
Evgueni
On 11 February 2010 05:22, Greg Landrum greg.land...@gmail.com wrote:
Hi Evgueni,
On Wed, Feb 10, 2010 at 11:02 AM, Evgueni Kolossov ekolos...@gmail.com wrote:
Dear Greg,
I just cannot understand what's going on - please take a look below:
std::string strSmiles = [*];
RDKit::RWMol *fragMol = new RDKit::RWMol();
fragMol = RDKit::SmilesToMol(strSmiles);
Dear Greg,
Thank you very much for quick answer.
I think the problem is in the copying from one vector to another:
for (unsigned int i=9; i m_vF.size(); i++)
vNew.push_back(m_vF[i]);
Can this corrupt the content of new vector?
Regards,
Evgueni
On 5 February 2010 05:13, Greg Landrum
Dear Evgueni,
On Fri, Feb 5, 2010 at 11:21 AM, Evgueni Kolossov ekolos...@gmail.com wrote:
Dear Greg,
Thank you very much for quick answer.
I think the problem is in the copying from one vector to another:
for (unsigned int i=9; i m_vF.size(); i++)
vNew.push_back(m_vF[i]);
Can
Hi Greg,
I have a vector RDKit::MOL_SPTR_VECT m_vF.
Vector is populated Ok.
Now i am trying to get mols from this vector:
nCount = 0;
RDKit::ROMol *fMol = new RDKit::ROMol(*m_vF[nCount]);
This will compile OK but will throw an exception on execution in
T * operator- () const
{
Hi Evgueni,
On Thu, Feb 4, 2010 at 5:25 PM, Evgueni Kolossov ekolos...@gmail.com wrote:
I have a vector RDKit::MOL_SPTR_VECT m_vF.
Vector is populated Ok.
Now i am trying to get mols from this vector:
nCount = 0;
RDKit::ROMol *fMol = new RDKit::ROMol(*m_vF[nCount]);
This will compile OK
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