CDPL.ConfGen.FragmentConformerGeneratorSettings.FragmentSettings Class Reference

Inheritance diagram for CDPL.ConfGen.FragmentConformerGeneratorSettings.FragmentSettings:

Public Member Functions
None	__init__ (FragmentSettings settings)
	Initializes a copy of the FragmentSettings instance settings. More...
int	getObjectID ()
	Returns the numeric identifier (ID) of the wrapped C++ class instance. More...
FragmentSettings	assign (FragmentSettings settings)
	Replaces the current state of self with a copy of the state of the FragmentSettings instance settings. More...
None	setMaxNumSampledConformers (int max_num)
int	getMaxNumSampledConformers ()
None	setMinNumSampledConformers (int min_num)
int	getMinNumSampledConformers ()
None	setTimeout (int mil_secs)
int	getTimeout ()
None	setEnergyWindow (float win_size)
float	getEnergyWindow ()
None	setMaxNumOutputConformers (int max_num)
int	getMaxNumOutputConformers ()
None	setMinRMSD (float min_rmsd)
float	getMinRMSD ()

Properties
	objectID = property(getObjectID)
	maxNumSampledConformers = property(getMaxNumSampledConformers, setMaxNumSampledConformers)
	minNumSampledConformers = property(getMinNumSampledConformers, setMinNumSampledConformers)
	timeout = property(getTimeout, setTimeout)
	energyWindow = property(getEnergyWindow, setEnergyWindow)
	maxNumOutputConformers = property(getMaxNumOutputConformers, setMaxNumOutputConformers)
	minRMSD = property(getMinRMSD, setMinRMSD)

Constructor & Destructor Documentation

__init__()

None CDPL.ConfGen.FragmentConformerGeneratorSettings.FragmentSettings.__init__

(

FragmentSettings

settings

)

Initializes a copy of the FragmentSettings instance settings.

Parameters

settings

The FragmentSettings instance to copy.

Member Function Documentation

getObjectID()

int CDPL.ConfGen.FragmentConformerGeneratorSettings.FragmentSettings.getObjectID

(

)

Returns the numeric identifier (ID) of the wrapped C++ class instance.

Different Python FragmentSettings instances may reference the same underlying C++ class instance. The commonly used Python expression a is not b thus cannot tell reliably whether the two FragmentSettings instances a and b reference different C++ objects. The numeric identifier returned by this method allows to correctly implement such an identity test via the simple expression a.getObjectID() != b.getObjectID().

Returns

The numeric ID of the internally referenced C++ class instance.

assign()

FragmentSettings CDPL.ConfGen.FragmentConformerGeneratorSettings.FragmentSettings.assign

(

FragmentSettings

settings

)

Replaces the current state of self with a copy of the state of the FragmentSettings instance settings.

Parameters

settings

The FragmentSettings instance to copy.

Returns

self

setMaxNumSampledConformers()

None CDPL.ConfGen.FragmentConformerGeneratorSettings.FragmentSettings.setMaxNumSampledConformers

(

int

max_num

)

Parameters

max_num

getMaxNumSampledConformers()

int CDPL.ConfGen.FragmentConformerGeneratorSettings.FragmentSettings.getMaxNumSampledConformers

(

)

Returns

setMinNumSampledConformers()

None CDPL.ConfGen.FragmentConformerGeneratorSettings.FragmentSettings.setMinNumSampledConformers

(

int

min_num

)

Parameters

min_num

getMinNumSampledConformers()

int CDPL.ConfGen.FragmentConformerGeneratorSettings.FragmentSettings.getMinNumSampledConformers

(

)

Returns

setTimeout()

None CDPL.ConfGen.FragmentConformerGeneratorSettings.FragmentSettings.setTimeout

(

int

mil_secs

)

Parameters

mil_secs

getTimeout()

int CDPL.ConfGen.FragmentConformerGeneratorSettings.FragmentSettings.getTimeout

(

)

Returns

setEnergyWindow()

None CDPL.ConfGen.FragmentConformerGeneratorSettings.FragmentSettings.setEnergyWindow

(

float

win_size

)

Parameters

win_size

getEnergyWindow()

float CDPL.ConfGen.FragmentConformerGeneratorSettings.FragmentSettings.getEnergyWindow

(

)

Returns

setMaxNumOutputConformers()

None CDPL.ConfGen.FragmentConformerGeneratorSettings.FragmentSettings.setMaxNumOutputConformers

(

int

max_num

)

Parameters

max_num

getMaxNumOutputConformers()

int CDPL.ConfGen.FragmentConformerGeneratorSettings.FragmentSettings.getMaxNumOutputConformers

(

)

Returns

setMinRMSD()

None CDPL.ConfGen.FragmentConformerGeneratorSettings.FragmentSettings.setMinRMSD

(

float

min_rmsd

)

Parameters

min_rmsd

getMinRMSD()

float CDPL.ConfGen.FragmentConformerGeneratorSettings.FragmentSettings.getMinRMSD

(

)

Returns