10 #ifdef RDK_THREADSAFE_SSS
11 #ifndef MULTITHREADED_SMILES_MOL_SUPPLIER
12 #define MULTITHREADED_SMILES_MOL_SUPPLIER
18 :
public MultithreadedMolSupplier {
20 explicit MultithreadedSmilesMolSupplier(
21 const std::string &fileName,
const std::string &delimiter =
" \t",
22 int smilesColumn = 0,
int nameColumn = 1,
bool titleLine =
true,
23 bool sanitize =
true,
unsigned int numWriterThreads = 1,
24 size_t sizeInputQueue = 5,
size_t sizeOutputQueue = 5);
26 explicit MultithreadedSmilesMolSupplier(
27 std::istream *inStream,
bool takeOwnership =
true,
28 const std::string &delimiter =
" \t",
int smilesColumn = 0,
29 int nameColumn = 1,
bool titleLine =
true,
bool sanitize =
true,
30 unsigned int numWriterThreads = 1,
size_t sizeInputQueue = 5,
31 size_t sizeOutputQueue = 5);
32 MultithreadedSmilesMolSupplier();
33 ~MultithreadedSmilesMolSupplier();
39 void processTitleLine();
41 bool extractNextRecord(std::string &record,
unsigned int &lineNum,
44 ROMol *processMoleculeRecord(
const std::string &record,
unsigned int lineNum);
47 void initFromSettings(
bool takeOwnership,
const std::string &delimiter,
48 int smilesColumn,
int nameColumn,
bool titleLine,
49 bool sanitize,
unsigned int numWriterThreads,
50 size_t sizeInputQueue,
size_t sizeOutputQueue);
56 bool df_sanitize =
true;
61 unsigned int d_currentRecordId = 1;
#define RDKIT_FILEPARSERS_EXPORT
std::vector< std::string > STR_VECT