Package schrodinger :: Package protein :: Module analysis :: Class Report :: Class data_set
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Class data_set

Known Subclasses:

Base class for all data sets.

Nested Classes [hide private]
  data_point
Class that holds the data for each point in a data set
Instance Methods [hide private]
 
__init__(self, label)
 
add_point(self, descriptor='', values=[], atoms=[])
Add a new point to the points property
list
report_data_points(self)
Return all data points for this set in a list
 
analyze(self, parent)
Must be subclassed, this implementation does nothing
 
report(self)
Must be subclassed, this implementation does nothing
Instance Variables [hide private]
  label
The name of this data set
  title
The name of this data set when printing out the data
  fields
First item is the name of the data_point descriptor property, remaining items are the names of the items in the data_point values property.
  points
List of data_point objects
  summary
Overall summary of the data set for the entire protein
Method Details [hide private]

add_point(self, descriptor='', values=[], atoms=[])

 

Add a new point to the points property

Parameters:
  • descriptor (str) - Label for this point - typically the user-friendly names of the atom or residues involved
  • values (list) - The values at this point - varies by subclass
  • atoms (list) - The atoms involved in this point

report_data_points(self)

 

Return all data points for this set in a list

Returns: list
list of data for each point in self.points, each item is a list whose first item is the point.descriptor and remaining items are the point.values items.

analyze(self, parent)

 

Must be subclassed, this implementation does nothing

Parameters:
  • parent (Report object) - The Report object that this is for