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Revert "Changed rmsd for rms"
This reverts commit 5571316d
Extended gen_confs documentation and incorporated the possibility to choose whether molecule conformers should be minimum energy conformers or not.
Changed rmsd for rms
Improved the documentation of the consequent docstrings
Included, the necessity to specify the molecule file to be adsorbed, in the input.
Moved the printing of input variables from dockonsurf.py to dos_input.py
Refactor file dos_input.py, every option is read and checked its value with a specific function for the purpose.Included the possibility to run the file as standalone program.
Increase of the input errors that get caught by the program, change how the logger is setup, its message format and how it is organized internally.
Reformat files and extend documentation
Moved the input file option from 'Global' to each relative section and changed the values of options to non-default ones.
Reformat and cleaning the code for improved readability and adequate it to PEP 8 conventions.
Include errors in the log, improved error handling by catching new errors.
Written the docstrings to document the code following the PEP 257 conventions
Possible errors are now printed in both the screen and the log file. More errors are now handled properly.
Added error handling functionality to input str2lst function
Refactoring code by creating modules directory and moving dos_input.py into it.