1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39
|
#include "RDMolSupplierImpl.h"
#include "RDMolImpl.h"
#include <GraphMol/RDKitBase.h>
#include <GraphMol/FileParsers/MolSupplier.h>
#include <string>
#include <nsMemory.h>
NS_IMPL_ISUPPORTS1(RDMolSupplier, IRDMolSupplier)
RDMolSupplier::~RDMolSupplier() {
if (this->dp_suppl) {
delete dp_suppl;
dp_suppl = 0;
}
}
/* boolean atEnd (); */
NS_IMETHODIMP RDMolSupplier::AtEnd(PRBool *_retval) {
if (!dp_suppl) return NS_ERROR_NOT_INITIALIZED;
*_retval = dp_suppl->atEnd();
return NS_OK;
}
/* IRDMolecule next (); */
NS_IMETHODIMP RDMolSupplier::Next(IRDMolecule **_retval) {
if (!dp_suppl) return NS_ERROR_NOT_INITIALIZED;
if (dp_suppl->atEnd()) return NS_BASE_STREAM_CLOSED;
RDKit::ROMol *roMol = dp_suppl->next();
if (!roMol) return NS_ERROR_UNEXPECTED;
RDMolecule *mol = new RDMolecule(roMol);
if (!mol) return NS_ERROR_OUT_OF_MEMORY;
*_retval = static_cast<IRDMolecule *>(mol);
// FIX: does this leak?
NS_ADDREF(*_retval);
return NS_OK;
}
|