Procedure | Location | Procedure Type | Description |
---|---|---|---|
get_arguments | targ | Subroutine | |
get_config_file | rmsd_main | Subroutine | |
get_options | targ | Subroutine | |
get_rmsd | rmsd | Interface | |
get_rmsd | rmsd_ls | Interface | Overload to allow extending the interface later |
get_rmsd_version | rmsd_version | Subroutine | Getter function to retrieve mctc-rmsd version |
get_variable | rmsd_main | Subroutine | |
help | rmsd_main | Subroutine | |
is_windows | rmsd_main | Function | Try to determine if we run on Windows and don’t have POSIX compliance around |
new_argument_parser | targ | Function | |
new_rmsd_config | rmsd_config | Subroutine | Create new configuration data from TOML data structure |
new_rmsd_filter | rmsd_filter | Interface | Overloaded constructor for RMSD filters |
read_config_file | rmsd_toml | Subroutine | Process the configuration file to a TOML data structure |
read_structure | rmsd_main | Interface | |
read_structure_from_arg | rmsd_main | Subroutine | |
version | rmsd_main | Subroutine |