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

AssertionError

invalid 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

AssertionError

unknown 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

r	probe radius in Å (>= 0)

Exceptions

AssertionError

r < 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

AssertionError

n <= 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

AssertionError

n <= 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

AssertionError

n <= 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.

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

• freesasa.pyx