virtual bool WriteChemObject(OBConversion* pConv)
{
//If there is a PNG input file, embed all the subsequent molecules in it
if(!CopyOfInput.empty() && bytesToIEND>0)
{
OBBase* pOb = pConv->GetChemObject();
return WriteMolecule(pOb, pConv);
}
else
{
_hasInputPngFile = false;
//draw image in PNG2, which will test whether embedding is required
OBFormat* ppng2 = OBConversion::FindFormat("_png2");
if(!ppng2)
{
obErrorLog.ThrowError("PNG Format","PNG2Format not found. Probably the Cairo library is not loaded.", obError);
return false;
}
bool ret = ppng2->WriteChemObject(pConv);
if(pConv->IsLast())
pConv->SetOutFormat(""); // report as output objects, not "PNG_files"
return ret;
}
};
bool SVGFormat::WriteChemObject(OBConversion* pConv)
{
//Molecules are stored here as pointers to OBBase objects, which are not deleted as usual.
//When there are no more they are sent to WriteMolecule.
//This allows their number to be determined whatever their source
//(they may also have been filtered), so that the table can be properly dimensioned.
//NOT CURRENTLY IMPLEMENTED
//If the first object is OBText, the part of it before each insertion point (if it exists)
//is output before every molecule. This allows molecule structures to be displayed
//in a template. The x option to omit the XML header is set
OBBase* pOb = pConv->GetChemObject();
if(pConv->GetOutputIndex()<=1)
{
_objects.clear();
_nmax=0;
pConv->AddOption("svgwritechemobject"); // to show WriteMolecule that this function has been called
const char* pc = pConv->IsOption("c");
//alternative for babel because -xc cannot take a parameter, because some other format uses it
//similarly for -xr -xp
if(!pc)
pc = pConv->IsOption("cols", OBConversion::GENOPTIONS);
const char* pr = pConv->IsOption("r");
if(!pr)
pr = pConv->IsOption("rows", OBConversion::GENOPTIONS);
if(pr)
_nrows = atoi(pr);
if(pc)
_ncols = atoi(pc);
if(pr && pc) // both specified: fixes maximum number objects to be output
_nmax = _nrows * _ncols;
//explicit max number of objects
const char* pmax =pConv->IsOption("N");
if(pmax)
_nmax = atoi(pmax);
/*
_ptext = dynamic_cast<OBText*>(pOb);
if(_ptext)
{
pConv->AddOption("x");//omit XML header
_textpos = 0;
return true;
}
*/
}
OBMoleculeFormat::DoOutputOptions(pOb, pConv);
//save molecule
_objects.push_back(pOb);
bool ret=true;
//Finish if no more input or if the number of molecules has reached the allowed maximum(if specified)
bool nomore = _nmax && (_objects.size()==_nmax);
if((pConv->IsLast() || nomore))
{
int nmols = _objects.size();
//Set table properties according to the options and the number of molecules to be output
if(!(nmols==0 || //ignore this block if there is no input or
(_nrows && _ncols) || //if the user has specified both rows and columns or
(!_nrows && !_ncols) && nmols==1)//if neither is specified and there is one output molecule
)
{
if(!_nrows && !_ncols ) //neither specified
{
//assign cols/rows in square
_ncols = (int)ceil(sqrt(((double)nmols)));
}
if(_nrows)
_ncols = (nmols-1) / _nrows + 1; //rounds up
else if(_ncols)
_nrows = (nmols-1) / _ncols + 1;
}
//output all collected molecules
int n=0;
/*
if(_ptext)
{
_textpos =0;
//Output the text up to the first insertion point, or all of it if there is no insertion point.
*pConv->GetOutStream() << _ptext->GetText(_textpos);
}
*/
vector<OBBase*>::iterator iter;
for(iter=_objects.begin(); ret && iter!=_objects.end(); ++iter)
{
//need to manually set these to mimic normal conversion
pConv->SetOutputIndex(++n);
pConv->SetLast(n==_objects.size());
ret=WriteMolecule(*iter, pConv);
/*
//If there is a subsequent insertion point, output text up to it and update _textpos.
//If there is not, do nothing.
if(_ptext)
*pConv->GetOutStream() << _ptext->GetText(_textpos, true);
*/
}
/*
//Output remaining text
if(_ptext)
*pConv->GetOutStream() << _ptext->GetText(_textpos);
*/
//delete all the molecules
for(iter=_objects.begin();iter!=_objects.end(); ++iter)
delete *iter;
delete _ptext;//delete text, NULL or not
_objects.clear();
_ptext = NULL;
_nmax = _ncols = _nrows = 0;
}
//OBConversion decrements OutputIndex when returns false because it thinks it is an error
//So we compensate.
if(!ret || nomore)
pConv->SetOutputIndex(pConv->GetOutputIndex()+1);
return ret && !nomore;
}
