TIES_MD.ties_analysis package

Subpackages

Submodules

TIES_MD.ties_analysis.config module

class TIES_MD.ties_analysis.config.Config(analysis_cfg='./analysis.cfg')

Bases: object

Class that reads the config file and set options.

Parameters

analysis_cfg – path to file containing general analysis params

get_options()

Function to print options stored in config class

Returns

None

TIES_MD.ties_analysis.config.read_config(config_file)

Function that is reading config file and build dict of options.

Parameters

config_file – str, path to a config file

Returns

dict, containing all options to run analysis

TIES_MD.ties_analysis.ties_analysis module

class TIES_MD.ties_analysis.ties_analysis.Analysis(cfg)

Bases: object

Class that is setting up all engines and methods for analysis.

Parameters

cfg – dict, holding all options

run()

Function to run the analysis.

Returns

None

TIES_MD.ties_analysis.ties_analysis.main()

Main function where we chose to setup or run analysis.

Returns

None

TIES_MD.ties_analysis.ties_analysis.make_exp(verbose=True)
TIES_MD.ties_analysis.ties_analysis.nice_print(string)

Function to print to terminal with padding.

Parameters

string – str to format

Returns

None

Module contents