IMP
2.0.1
The Integrative Modeling Platform
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Statistics gathering and printing class for ISD gibbs sampling. More...
Public Member Functions | |
def | add_category |
creates a logging entry for a simulation substep of the gibbs sampler. More... | |
def | add_coordinates |
adds a placeholder for coordinates | |
def | add_entry |
add an entry for the statistics file More... | |
def | increment_counter |
increments the counter of category 'key' by 'value' steps. More... | |
def | update |
updates an entry and change its value to value | |
def | update_coordinates |
updates the coordinates of key:name entry. More... | |
def | write_stats |
Writes statistics to the stats file and writes/appends trajectories. More... | |
Also manages the restart file (TODO).
TODO: check if everything was updated nicely
Definition at line 25 of file Statistics.py.
def IMP.isd.Statistics.Statistics.add_category | ( | self, | |
name = None |
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) |
Each category has its own counter, initialized to zero. The global category does not need to be created, it's already created by the init method, and its key is 'global'.
Definition at line 33 of file Statistics.py.
def IMP.isd.Statistics.Statistics.add_entry | ( | self, | |
key, | |||
name = None , |
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entry = None |
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) |
Definition at line 49 of file Statistics.py.
def IMP.isd.Statistics.Statistics.increment_counter | ( | self, | |
key, | |||
value | |||
) |
Definition at line 66 of file Statistics.py.
def IMP.isd.Statistics.Statistics.update_coordinates | ( | self, | |
key, | |||
name, | |||
value | |||
) |
Format should match with the format specified at init time (pdb or cdf)
Definition at line 62 of file Statistics.py.
def IMP.isd.Statistics.Statistics.write_stats | ( | self | ) |
Only does that if the global step matches the output rate. Trajectories are written more sparsely, see trajrate. Returns: True if data was written, False if not.
Definition at line 73 of file Statistics.py.