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Pydoc: module racerHBPot

racerHBPot

index

[ no help available yet] # This file was automatically generated by SWIG (http://www.swig.org). # Version 4.0.2 # # Do not make changes to this file unless you know what you are doing--modify # the SWIG interface file instead.

Classes

builtins.object

CDSList_CDSList_int

CDSList_DA

CDSList_DAClass

CDSList_Pair_int_int

HBBasePot_RacerHBKernel

RacerHBPot_LetterClass

RacerHBPot

class CDSList_CDSList_int(builtins.object)

CDSList_CDSList_int(*args)

Methods defined here:

__delitem__(self, *args, **kwargs) -> 'void'

__getitem__(self, *args) -> 'CDSList< CDSList< int > >'

__getslice__(self, *args, **kwargs) -> 'CDSList< CDSList< int > >'

__init__(self, *args): Initialize self. See help(type(self)) for accurate signature.

__len__(self, *args, **kwargs) -> 'int'

__repr__ = _swig_repr(self)

__setitem__(self, *args, **kwargs) -> 'void'

append(self, *args, **kwargs) -> 'void'

help(self, *args, **kwargs) -> 'String'

remove(self, *args, **kwargs) -> 'void'

removeAll(self, *args, **kwargs) -> 'void'

Static methods defined here:

__swig_destroy__ = delete_CDSList_CDSList_int(...)

Data descriptors defined here:

__dict__: dictionary for instance variables (if defined)

__weakref__: list of weak references to the object (if defined)

thisown: The membership flag

class CDSList_DA(builtins.object)

CDSList_DA(*args)

Methods defined here:

__delitem__(self, *args, **kwargs) -> 'void'

__getitem__(self, *args) -> 'CDSList< RacerHBPot_DA >'

__getslice__(self, *args, **kwargs) -> 'CDSList< RacerHBPot_DA >'

__init__(self, *args): Initialize self. See help(type(self)) for accurate signature.

__len__(self, *args, **kwargs) -> 'int'

__repr__ = _swig_repr(self)

__setitem__(self, *args, **kwargs) -> 'void'

append(self, *args, **kwargs) -> 'void'

help(self, *args, **kwargs) -> 'String'

remove(self, *args, **kwargs) -> 'void'

removeAll(self, *args, **kwargs) -> 'void'

Static methods defined here:

__swig_destroy__ = delete_CDSList_DA(...)

Data descriptors defined here:

__dict__: dictionary for instance variables (if defined)

__weakref__: list of weak references to the object (if defined)

thisown: The membership flag

class CDSList_DAClass(builtins.object)

CDSList_DAClass(*args)

Methods defined here:

__delitem__(self, *args, **kwargs) -> 'void'

__getitem__(self, *args) -> 'CDSList< HBBase_DAClass >'

__getslice__(self, *args, **kwargs) -> 'CDSList< HBBase_DAClass >'

__init__(self, *args): Initialize self. See help(type(self)) for accurate signature.

__len__(self, *args, **kwargs) -> 'int'

__repr__ = _swig_repr(self)

__setitem__(self, *args, **kwargs) -> 'void'

append(self, *args, **kwargs) -> 'void'

help(self, *args, **kwargs) -> 'String'

remove(self, *args, **kwargs) -> 'void'

removeAll(self, *args, **kwargs) -> 'void'

Static methods defined here:

__swig_destroy__ = delete_CDSList_DAClass(...)

Data descriptors defined here:

__dict__: dictionary for instance variables (if defined)

__weakref__: list of weak references to the object (if defined)

thisown: The membership flag

class CDSList_Pair_int_int(builtins.object)

CDSList_Pair_int_int(*args)

Methods defined here:

__delitem__(self, *args, **kwargs) -> 'void'

__getitem__(self, *args) -> 'CDSList< Pair< int,int > >'

__getslice__(self, *args, **kwargs) -> 'CDSList< Pair< int,int > >'

__init__(self, *args): Initialize self. See help(type(self)) for accurate signature.

__len__(self, *args, **kwargs) -> 'int'

__repr__ = _swig_repr(self)

__setitem__(self, *args, **kwargs) -> 'void'

append(self, *args, **kwargs) -> 'void'

help(self, *args, **kwargs) -> 'String'

remove(self, *args, **kwargs) -> 'void'

removeAll(self, *args, **kwargs) -> 'void'

Static methods defined here:

__swig_destroy__ = delete_CDSList_Pair_int_int(...)

Data descriptors defined here:

__dict__: dictionary for instance variables (if defined)

__weakref__: list of weak references to the object (if defined)

thisown: The membership flag

class HBBasePot_RacerHBKernel(builtins.object)

HBBasePot_RacerHBKernel(*args, **kwargs)

Methods defined here:

__init__(self, *args, **kwargs): Initialize self. See help(type(self)) for accurate signature.

__repr__ = _swig_repr(self)

acceptors(self, *args, **kwargs) -> 'CDSList< HBBasePot< RacerHBKernel >::DAType > const &'

calcEnergy(self, *args, **kwargs) -> 'float_type'

calcEnergyAndDerivs(self, *args, **kwargs) -> 'float_type'

donors(self, *args, **kwargs) -> 'CDSList< HBBasePot< RacerHBKernel >::DAType > const &'

findAcceptorsDonors(self, *args, **kwargs) -> 'void'

hbonds(self, *args, **kwargs) -> 'CDSList< Pair< int,int > > const &'

moveTol(self, *args, **kwargs) -> 'float_type const'

numRestraints(self, *args, **kwargs) -> 'int'

rMax(self, *args, **kwargs) -> 'float_type const'

rOn(self, *args, **kwargs) -> 'float_type const'

residCutoff(self, *args, **kwargs) -> 'int const'

rms(self, *args, **kwargs) -> 'float_type'

selection(self, *args, **kwargs) -> 'AtomSel'

setMoveTol(self, *args, **kwargs) -> 'void'

setRMax(self, *args, **kwargs) -> 'void'

setROn(self, *args, **kwargs) -> 'void'

setResidCutoff(self, *args, **kwargs) -> 'void'

setVerbose(self, *args, **kwargs) -> 'void'

verbose(self, *args, **kwargs) -> 'bool const'

violations(self, *args, **kwargs) -> 'float_type'

Static methods defined here:

__swig_destroy__ = delete_HBBasePot_RacerHBKernel(...)

Data descriptors defined here:

__dict__: dictionary for instance variables (if defined)

__weakref__: list of weak references to the object (if defined)

thisown: The membership flag

class HBBase_DAClass(builtins.object)

HBBase_DAClass(*args, **kwargs)

Methods defined here:

__init__(self, *args, **kwargs): Initialize self. See help(type(self)) for accurate signature.

__repr__ = _swig_repr(self)

Static methods defined here:

__swig_destroy__ = delete_HBBase_DAClass(...)

Data descriptors defined here:

__dict__: dictionary for instance variables (if defined)

__weakref__: list of weak references to the object (if defined)

nextSel

num

sel

thisown: The membership flag

typeStr

class Modified(builtins.object)

Modified(*args, **kwargs)

Methods defined here:

__call__(self, *args, **kwargs) -> 'int': Call self as a function.

__init__(self, *args, **kwargs): Initialize self. See help(type(self)) for accurate signature.

__repr__ = _swig_repr(self)

asString(self, *args, **kwargs) -> 'String'

assertClear(self, *args, **kwargs) -> 'void'

clear(self, *args, **kwargs) -> 'void'

set(self, *args, **kwargs) -> 'void'

update(self, *args, **kwargs) -> 'void'

value(self, *args, **kwargs) -> 'int'

Static methods defined here:

__swig_destroy__ = delete_Modified(...)

Data descriptors defined here:

__dict__: dictionary for instance variables (if defined)

__weakref__: list of weak references to the object (if defined)

thisown: The membership flag

Data and other attributes defined here:

MOD_SELF = 1

MOD_SIMULATION = 2

class ModifiedBase(builtins.object)

ModifiedBase(*args, **kwargs)

Methods defined here:

__init__(self, *args, **kwargs): Initialize self. See help(type(self)) for accurate signature.

__repr__ = _swig_repr(self)

registerTo(self, *args, **kwargs) -> 'void'

unRegister(self, *args, **kwargs) -> 'void'

updateValues(self, *args, **kwargs) -> 'void'

Static methods defined here:

__swig_destroy__ = delete_ModifiedBase(...)

Data descriptors defined here:

__dict__: dictionary for instance variables (if defined)

__weakref__: list of weak references to the object (if defined)

modified

registeredSimulations

thisown: The membership flag

class Pair_int_int(builtins.object)

Pair_int_int(*args)

Methods defined here:

__eq__(self, *args, **kwargs) -> 'bool': Return self==value.

__init__(self, *args): Initialize self. See help(type(self)) for accurate signature.

__repr__ = _swig_repr(self)

Static methods defined here:

__swig_destroy__ = delete_Pair_int_int(...)

Data descriptors defined here:

__dict__: dictionary for instance variables (if defined)

__weakref__: list of weak references to the object (if defined)

a

b

thisown: The membership flag

Data and other attributes defined here:

__hash__ = None

class RacerHBKernel(builtins.object)

RacerHBKernel(*args, **kwargs)

Methods defined here:

__init__(self, *args, **kwargs): Initialize self. See help(type(self)) for accurate signature.

__repr__ = _swig_repr(self)

construct(self, *args, **kwargs) -> 'void'

energyMaybeDeriv(self, *args, **kwargs) -> 'float_type'

getGeom(self, *args, **kwargs) -> 'RacerHBPot_Geom'

violated(self, *args, **kwargs) -> 'bool'

Static methods defined here:

__swig_destroy__ = delete_RacerHBKernel(...)

Data descriptors defined here:

__dict__: dictionary for instance variables (if defined)

__weakref__: list of weak references to the object (if defined)

thisown: The membership flag

class RacerHBPot_DA(builtins.object)

RacerHBPot_DA(*args)

Methods defined here:

__init__(self, *args): Initialize self. See help(type(self)) for accurate signature.

__repr__ = _swig_repr(self)

Static methods defined here:

__swig_destroy__ = delete_RacerHBPot_DA(...)

Data descriptors defined here:

__dict__: dictionary for instance variables (if defined)

__weakref__: list of weak references to the object (if defined)

atom

atom1

atom2

thisown: The membership flag

typeNum

class RacerHBPot_Geom(builtins.object)

RacerHBPot_Geom(*args, **kwargs)

Methods defined here:

__init__(self, *args, **kwargs): Initialize self. See help(type(self)) for accurate signature.

__repr__ = _swig_repr(self)

Static methods defined here:

__swig_destroy__ = delete_RacerHBPot_Geom(...)

Data descriptors defined here:

__dict__: dictionary for instance variables (if defined)

__weakref__: list of weak references to the object (if defined)

r

theta_a

theta_d

thisown: The membership flag

class RacerHBPot_LetterClass(HBBasePot_RacerHBKernel)

RacerHBPot_LetterClass(*args, **kwargs)

Method resolution order:: RacerHBPot_LetterClass; HBBasePot_RacerHBKernel; builtins.object

Methods defined here:

__init__(self, *args, **kwargs): Initialize self. See help(type(self)) for accurate signature.

__repr__ = _swig_repr(self)

acceptors(self, *args, **kwargs) -> 'CDSList< RacerHBPot_DA > const &'

donors(self, *args, **kwargs) -> 'CDSList< RacerHBPot_DA > const &'

energy(self, *args, **kwargs) -> 'float_type'

epsilon(self, *args, **kwargs) -> 'float_type const'

getGeom(self, *args, **kwargs) -> 'RacerHBPot_Geom'

info(self, *args, **kwargs) -> 'String'

setEpsilon(self, *args, **kwargs) -> 'void'

setSigma(self, *args, **kwargs) -> 'void'

sigma(self, *args, **kwargs) -> 'float_type const'

violated(self, *args, **kwargs) -> 'bool'

Static methods defined here:

__swig_destroy__ = delete_RacerHBPot_LetterClass(...)

Data descriptors defined here:

thisown: The membership flag

Methods inherited from HBBasePot_RacerHBKernel:

calcEnergy(self, *args, **kwargs) -> 'float_type'

calcEnergyAndDerivs(self, *args, **kwargs) -> 'float_type'

findAcceptorsDonors(self, *args, **kwargs) -> 'void'

hbonds(self, *args, **kwargs) -> 'CDSList< Pair< int,int > > const &'

moveTol(self, *args, **kwargs) -> 'float_type const'

numRestraints(self, *args, **kwargs) -> 'int'

rMax(self, *args, **kwargs) -> 'float_type const'

rOn(self, *args, **kwargs) -> 'float_type const'

residCutoff(self, *args, **kwargs) -> 'int const'

rms(self, *args, **kwargs) -> 'float_type'

selection(self, *args, **kwargs) -> 'AtomSel'

setMoveTol(self, *args, **kwargs) -> 'void'

setRMax(self, *args, **kwargs) -> 'void'

setROn(self, *args, **kwargs) -> 'void'

setResidCutoff(self, *args, **kwargs) -> 'void'

setVerbose(self, *args, **kwargs) -> 'void'

verbose(self, *args, **kwargs) -> 'bool const'

violations(self, *args, **kwargs) -> 'float_type'

Data descriptors inherited from HBBasePot_RacerHBKernel:

__dict__: dictionary for instance variables (if defined)

__weakref__: list of weak references to the object (if defined)

realRacerHBPot = class RacerHBPot(builtins.object)

realRacerHBPot(*args, **kwargs)

Methods defined here:

__deref__(self, *args, **kwargs) -> 'RacerHBPot *'

__init__(self, *args, **kwargs)

__oldinit__ = __init__(self, *args, **kwargs)

__ref__(self, *args, **kwargs) -> 'RacerHBPot &'

__repr__ = _swig_repr(self)

acceptors(self, *args, **kwargs) -> 'CDSList< RacerHBPot_DA > const &'

calcEnergy(self, *args, **kwargs) -> 'float_type'

calcEnergyAndDerivs(self, *args, **kwargs) -> 'float_type'

decrRefCnt(self, *args, **kwargs) -> 'void'

donors(self, *args, **kwargs) -> 'CDSList< RacerHBPot_DA > const &'

energy(self, *args, **kwargs) -> 'float_type'

epsilon(self, *args, **kwargs) -> 'float_type const'

findAcceptorsDonors(self, *args, **kwargs) -> 'void'

getGeom(self, *args, **kwargs) -> 'RacerHBPot_Geom'

hbonds(self, *args, **kwargs) -> 'CDSList< Pair< int,int > > const &'

incrRefCnt(self, *args, **kwargs) -> 'void'

info(self, *args, **kwargs) -> 'String'

instanceData(self, *args, **kwargs) -> 'PyObject *'

instanceName(self, *args, **kwargs) -> 'char const *'

moveTol(self, *args, **kwargs) -> 'float_type const'

numRestraints(self, *args, **kwargs) -> 'int'

potName(self, *args, **kwargs) -> 'char const *'

rMax(self, *args, **kwargs) -> 'float_type const'

rOn(self, *args, **kwargs) -> 'float_type const'

refCnt(self, *args, **kwargs) -> 'int'

registerInstanceData(self, *args, **kwargs) -> 'void'

registerTo(self, *args, **kwargs) -> 'void'

resetInstanceName(self, *args, **kwargs) -> 'void'

resetPotName(self, *args, **kwargs) -> 'void'

residCutoff(self, *args, **kwargs) -> 'int const'

rms(self, *args, **kwargs) -> 'float_type'

scale(self, *args, **kwargs) -> 'float_type const'

selection(self, *args, **kwargs) -> 'AtomSel'

setEpsilon(self, *args, **kwargs) -> 'void'

setMoveTol(self, *args, **kwargs) -> 'void'

setRMax(self, *args, **kwargs) -> 'void'

setROn(self, *args, **kwargs) -> 'void'

setResidCutoff(self, *args, **kwargs) -> 'void'

setScale(self, *args, **kwargs) -> 'void'

setSigma(self, *args, **kwargs) -> 'void'

setThreshold(self, *args, **kwargs) -> 'void'

setVerbose(self, *args, **kwargs) -> 'void'

sigma(self, *args, **kwargs) -> 'float_type const'

threshold(self, *args, **kwargs) -> 'float_type const'

unRegister(self, *args, **kwargs) -> 'void'

updateDelta(self, *args, **kwargs) -> 'void'

updateValues(self, *args, **kwargs) -> 'void'

verbose(self, *args, **kwargs) -> 'bool const'

violated(self, *args, **kwargs) -> 'bool'

violations(self, *args, **kwargs) -> 'float_type'

Static methods defined here:

__swig_destroy__ = delete_RacerHBPot(...)

Data descriptors defined here:

__dict__: dictionary for instance variables (if defined)

__weakref__: list of weak references to the object (if defined)

instanceDataCleanup

instanceDataCreate

instanceData_

modified

registeredSimulations

thisown: The membership flag

Functions

RacerHBPot(*args, **kwargs)

pyXplorHelp(*args) -> 'String'