eon.superbasinscheme
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Module Contents#
Classes#
This poorly-named class handles keeping track of which states belong to which superbasins, the SuperBasin object of those superbasins, and superbasining criteria. It also expands and merges superbasins |
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Implements the transition counting scheme for superbasin detection |
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Implements a superbasin scheme where states are merged if the transition rate between them is faster than a specified threshold. |
Data#
API#
- eon.superbasinscheme.logger#
‘getLogger(…)’
- class eon.superbasinscheme.SuperbasinScheme(superbasin_path, states, kT)[source]#
This poorly-named class handles keeping track of which states belong to which superbasins, the SuperBasin object of those superbasins, and superbasining criteria. It also expands and merges superbasins
Initialization
- class eon.superbasinscheme.TransitionCounting(superbasin_path, states, kT, num_transitions)[source]#
Bases:
eon.superbasinscheme.SuperbasinScheme
Implements the transition counting scheme for superbasin detection
Initialization
- class eon.superbasinscheme.EnergyLevel(superbasin_path, states, kT, energy_increment)[source]#
- class eon.superbasinscheme.RateThreshold(superbasin_path, states, kT, rate_threshold)[source]#
Bases:
eon.superbasinscheme.SuperbasinScheme
Implements a superbasin scheme where states are merged if the transition rate between them is faster than a specified threshold.
Initialization
Initializes the RateThreshold scheme.
Args: superbasin_path (str): The path to the superbasin directory. states (States): The global states object. kT (float): The thermal energy (k_B * T) in the appropriate units. rate_threshold (float): The rate (in 1/time) above which states will be merged into a superbasin.
- register_transition(start_state, end_state)[source]#
Checks if the transition rate between start_state and end_state exceeds the defined threshold. If it does, it merges them.