void |
ChemObjectFactory.produceRandomStructsFromMDL(String mdlFile,
int maxNumSeqSteps,
int minGenStrSize,
int maxNumRecord,
List<StructInfo> vStr,
String outFile) |
void |
ChemObjectFactory.produceStructsFromMDL(String mdlFile,
int maxNumSeqSteps,
int maxNumRecord,
int maxStrSize,
List<StructInfo> vStr,
String outFile) |
void |
ChemObjectFactory.produceStructuresExhaustively(org.openscience.cdk.interfaces.IAtomContainer mol,
List<StructInfo> vStr,
int maxNumSeqSteps,
int maxStrSize) |
void |
ChemObjectFactory.produceStructuresRandomly(org.openscience.cdk.interfaces.IAtomContainer mol,
List<StructInfo> vStr,
int maxNumSeqSteps,
int numStructs,
int minGenStrSize) |