/// Downloads the file for the biomolecule with the PDB ID of \p id. /// If an error occurs \c 0 is returned. /// /// The ownership of the returned file is passed to the caller. /// /// For example, to download the ubiquitin pdb file (PDB ID: 1UBQ): /// \code /// PolymerFile *file = pdb.downloadFile("1UBQ"); /// \endcode PolymerFile* ProteinDataBank::downloadFile(const QString &id) const { QByteArray data = downloadFileData(id, "pdb"); if(data.isEmpty()){ return 0; } std::stringstream buffer(std::string(data.constData(), data.size())); PolymerFile *file = new PolymerFile; file->read(buffer, "pdb"); return file; }
/// Downloads and returns the file containing the compounds with ID's /// in the list \p ids. If an error occurs \c 0 is returned. /// /// The ownership of the file is passed to the caller. /// /// For example, to download the file containing %PubChem Compounds /// 1, 2, 3, 42 and 57: /// \code /// QStringList ids; /// ids << "1" << "2" << "3" << "42" << "57"; /// MoleculeFile *file = pubchem.downloadFile(ids); /// \endcode MoleculeFile* PubChem::downloadFile(const QStringList &ids) const { QByteArray data = downloadFileData(ids, "sdf"); if(data.isEmpty()){ return 0; } std::stringstream buffer(std::string(data.constData(), data.size())); MoleculeFile *file = new MoleculeFile; file->read(buffer, "sdf"); return file; }
/// Downloads and returns the file containing the compounds with ID's /// in the list \p ids. If an error occurs \c 0 is returned. /// /// The ownership of the file is passed to the caller. /// /// For example, to download the file containing %PubChem Compounds /// 1, 2, 3, 42 and 57: /// \code /// QStringList ids; /// ids << "1" << "2" << "3" << "42" << "57"; /// MoleculeFile *file = pubchem.downloadFile(ids); /// \endcode MoleculeFile* PubChem::downloadFile(const QStringList &ids) const { QByteArray data = downloadFileData(ids, "sdf"); if(data.isEmpty()){ return 0; } QBuffer buffer; buffer.setData(data); buffer.open(QBuffer::ReadOnly); MoleculeFile *file = new MoleculeFile; file->read(&buffer, "sdf"); return file; }