This is a simple Julia script to relabel TUV photolysis reactions after ammendments. The programme relies on the fixed format of the TUV input file and is designed for TUV 5.2. Consecutive 3-digit reaction numbers are assigned starting at 1.

Fortran routines have been developed for the same purpose, but are no longer supported. If you rather wish to use the fortran routines, see the FORTRAN README.

Edit your TUV input file by editing, adding or deleting reactions. If you want the TUV output only for a fraction of the reactions, switch those reactions to T (first character of each reaction line) and the rest to F. If you want all reactions to be true or false, the programme has switches for this. This is useful, if the majority of your reactions will be true or false. You can then edit the output to toggle the switch for a small fraction of photolysis reactions.

When adding new reactions, keep to the fixed line format of the input file:

• 1. character: Switch for reactions T or F
• 2. - 4. character: Reaction number
• 6. - 55. character: Photolysis reaction

You can use any placeholder for the reaction number (e.g., spaces or 'x') as it is overwritten by the programme. The remaining parts of the line need to be specified explicitly. If you force all reactions to be true or false, the first charcater of each line will be overwritten as well. There is no need to adjust the parameter nmj for the number of output (i.e. true) reactions as it is automatically calculated by the programme.

You also need to stick to the overall file format with key words used by TUV 5.2. The programme will search for ===== Available photolysis reactions: to identify the beginning of the reaction scheme and for ===... to identify the end.

Clone the numTUVrxn repository into the TUV INPUTS folder or initialise a git submodule. Alternatively, you can copy the TUV input file to the numTUVrxn repository.

Run the script with the TUV input file as the first programme argument and an optional switch for the TUV flags as second programme argument; e.g. from the TUV INPUTS folder via:

julia numTUVrxn/numTUVrxn.jl <TUV input file> [<switch for reactions>]

or from inside the repository via:

julia numTUVrxn.jl [../]<TUV input file> [<switch for reactions>]

The scripts assumes to be a folder in the TUV inputs folder. For your convenience, you don't need to type the folder path, if you run the script inside the numTUVrxn folder, the script will automatically add ../ to the file name. This feature will only work, if you don't rename the repository.

If you wish to modify TUV input files inside the numTUVrxn folder, you need to use ./ as a prefex of you file name, otherwise the script will look for the file in the parent folder. Alternatively, you could delete/comment out l. 165 in numTUVrxn.jl:

if splitdir(ifile)[1] == "" && basename(pwd()) == "numTUVrxn"  ifile = joinpath("..",ifile)  end

The second programme argument is a switch to toggle all reactions to true (using T or t as argument) or false (with F or f). To leave the switches as specified in the TUV input file, leave the argument blank.

The programme will modify each reaction line and will overwrite the orginal TUV input file! So be careful, all your actions are destructive.

Content modified is:

• The reaction number of photolysis reactions on character 2 - 4
• If forced to T or F: the switch for photolysis reactions on char. 1
• Parameter nmj in the header with the total number of output (true) reactions

Additional checks are available for the DSMACC/MCM/GECKO-A model framework.

• Script rewritten in Julia
• Now optional enforcing of parent folder ../ depending on whether the script is called from the numTUVrxn folder or the elsewhere
• Additional feature to compare reaction numbers of the TUV input file to a md file with DSMACC, MCM and TUV numbers and issue warnings for mismatches

• Reverting enforcment of input file in the folder level above to be able to call the programme from the TUV INPUTS folder via ./numTUVrxn/numTUVrxn [arg list]

• Enforcing the input file a folder level above, by adding ../ to the file name if obsolete, to allow easy typing of input file names and incorporation of numTUVrxn as git submodule in TUV.
• No query, when switch for TUV flag is empty, now programme leaves flags unchanged.
• Bug fixes to properly calculate number of true reactions and assign it to nmj

• First released version to renumber reactions in the TUV input file after changes
• Numbers are enforced in a consecutive order starting at 1