Combinatorial or sequential mode

    Reactants are processed according to the --mode (-m) command line parameter in either combinatorial or sequential mode (default setting is: seq ). In combinatorial mode all possible groupings are processed, while in sequential mode reactant molecules with the same order index are grouped, and repeating the last molecules if input files contain different number of molecules. Example (Click here to expand...)

    1. react -r da.mrv file1.mrv file2.mrv -m seq
      
      C1CCC=CC1
      
      CC1CCC(C)=C(C)C1
      
      CC1CC(C)=C(C)CC1C
    2. react -r da.mrv file1.mrv file2.mrv -m comb
      
      C1CCC=CC1
      
      CC1CCC=CC1
      
      CC1CC=CCC1C
      
      CC1=C(C)CCCC1
      
      CC1CCC(C)=C(C)C1
      
      CC1CC(C)=C(C)CC1C

      Note : Results are written to the console.