FreeSASA  2.0
Open source SASA calculations
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Public Member Functions
freesasa.Parameters Class Reference

Stores parameter values to be used by calculation. More...

Public Member Functions

def __init__
 Initializes Parameters object. More...
 
def setAlgorithm (self, alg)
 Set algorithm. More...
 
def algorithm (self)
 Get algorithm. More...
 
def setProbeRadius (self, r)
 Set probe radius. More...
 
def probeRadius (self)
 Get probe radius. More...
 
def setNPoints (self, n)
 Set number of test points in Shrake & Rupley algorithm. More...
 
def nPoints (self)
 Get number of test points in Shrake & Rupley algorithm. More...
 
def setNSlices (self, n)
 Set the number of slices per atom in Lee & Richards algorithm. More...
 
def nSlices (self)
 Get the number of slices per atom in Lee & Richards algorithm. More...
 
def setNThreads (self, n)
 Set the number of threads to use in calculations. More...
 
def nThreads (self)
 Get the number of threads to use in calculations. More...
 

Detailed Description

Stores parameter values to be used by calculation.

Wraps the C struct freesasa_parameters.

Definition at line 59 of file freesasa.pyx.

Constructor & Destructor Documentation

def freesasa.Parameters.__init__ (   self,
  param = None 
)

Initializes Parameters object.

Parameters
param(dict) optional argument to specify parameter-values, modeled after defaultParameters
Exceptions
AssertionErrorinvalid parameter values supplied
See also
defaultParameters

Definition at line 68 of file freesasa.pyx.

Member Function Documentation

def freesasa.Parameters.setAlgorithm (   self,
  alg 
)

Set algorithm.

Parameters
alg(str) algorithm name, only allowed values are ShrakeRupley and LeeRichards
Exceptions
AssertionErrorunknown algorithm specified

Definition at line 88 of file freesasa.pyx.

def freesasa.Parameters.algorithm (   self)

Get algorithm.

Returns
Name of algorithm

Definition at line 99 of file freesasa.pyx.

def freesasa.Parameters.setProbeRadius (   self,
  r 
)

Set probe radius.

Parameters
rprobe radius in Å (>= 0)
Exceptions
AssertionErrorr < 0

Definition at line 109 of file freesasa.pyx.

def freesasa.Parameters.probeRadius (   self)

Get probe radius.

Returns
Probe radius in Å

Definition at line 115 of file freesasa.pyx.

def freesasa.Parameters.setNPoints (   self,
  n 
)

Set number of test points in Shrake & Rupley algorithm.

Parameters
n(int) Number of points (> 0).
Exceptions
AssertionErrorn <= 0.

Definition at line 121 of file freesasa.pyx.

def freesasa.Parameters.nPoints (   self)

Get number of test points in Shrake & Rupley algorithm.

Returns
Number of points.

Definition at line 127 of file freesasa.pyx.

def freesasa.Parameters.setNSlices (   self,
  n 
)

Set the number of slices per atom in Lee & Richards algorithm.

Parameters
n(int) Number of slices (> 0)
Exceptions
AssertionErrorn <= 0

Definition at line 133 of file freesasa.pyx.

def freesasa.Parameters.nSlices (   self)

Get the number of slices per atom in Lee & Richards algorithm.

Returns
Number of slices.

Definition at line 139 of file freesasa.pyx.

def freesasa.Parameters.setNThreads (   self,
  n 
)

Set the number of threads to use in calculations.

Parameters
n(int) Number of points (> 0)
Exceptions
AssertionErrorn <= 0

Definition at line 146 of file freesasa.pyx.

def freesasa.Parameters.nThreads (   self)

Get the number of threads to use in calculations.

Returns
Number of threads.

Definition at line 153 of file freesasa.pyx.


The documentation for this class was generated from the following file: