/** The descriptor name can be s or smarts and is case independent
The operator to return true for a match can be:
one or more spaces, =, ==, or nothing if the SMARTS string
starts with a letter.
To return true for a mismatch the operator is !=
A space or tab should follow the SMARTS string.
**/
bool SmartsFilter::Compare(OBBase* pOb, istream& optionText, bool noEval)
{
OBMol* pmol = dynamic_cast<OBMol*> (pOb);
if(!pmol)
return false;
string smarts;
bool matchornegate = ReadStringFromFilter(optionText, smarts);
if(noEval)
return false;
OBSmartsPattern sp;
sp.Init(smarts);
bool ret = sp.Match(*pmol,true);//single match
if(!matchornegate)
ret = !ret;
return ret;
}
/** The descriptor name can be s or smarts and is case independent
The operator to return true for a match can be:
one or more spaces, =, ==, or nothing if the SMARTS string
starts with a letter.
To return true for a mismatch the operator is !=
A space or tab should follow the SMARTS string.
**/
bool SmartsFilter::Compare(OBBase *pOb, istream &optionText, bool noEval,
std::string *) {
OBMol *pmol = dynamic_cast<OBMol *>(pOb);
if (!pmol)
return false;
string smarts;
bool matchornegate = ReadStringFromFilter(optionText, smarts);
if (noEval)
return false;
OBSmartsPattern sp;
if (!sp.Init(smarts))
return false; // can't initialize the SMARTS, so fail gracefully
bool ret = sp.Match(*pmol, true); // single match
if (!matchornegate)
ret = !ret;
return ret;
}
