rdcPot		index
rdcPot.py

residual dipolar coupling potential
 
 One normally creates RDCPot objects using the create_RDCPot function within 
the rdcPotTools module.
 
constructor:   
        RDCPot1(instanceName,
                oTensor
                restraints,
                simulation)
  
  instanceName is a user-specified identifier. oTensor specifies an 
  orientational varTensor.VarTensor object. restraints is an optional 
  XPLOR-style sani or dipo restraint table. simulation is an optional 
  simulation.Simulation specification. 
 
  This potential term is described in G.M. Clore and C.D. Schwieters,
  J. Am. Chem. Soc. 126, 2923-2938 (2004). 
 
members:
  oTensor - the VarTensor orientational tensor object.
 
methods:
  addRestraints(restraintList) - add the specified XPLOR sani- or
                                 dipo-style restraints. Note that this is a 
                                 string, and not a filename.
 
  calcEnergy()                 - calc energy, returns the energy value.
  calcEnergyAndDerivs(derivs)  - calc energy, derivs, returns the energy value.
 
 
 
  rms()           - return the rms of calcedShift - effShift
  deviation()     - return average of deviation of ensemble members
  numRestraints() - return the number of restraints defined for this term.
  violations()    - return number of violations
  
  info()                    - current info about the state of this instance
  showViolations()          - return a string listing violated restraints.
  showRestraints(violated)  - return info on restraints. Argument violated is
                              boolean specifying whether to return only 
                              violated restraints.
 
 
  restraints() - return a list of restraints. See the description of the
                 Restraint class below.
  rawRestraints() - return a list of restraints, without calling calcEnergy
                 to update calculated values. See the description of the
                 Restraint class below.
  simulation() - return the associated simulation.Simulation.
 
 
 
 The following parameters can be set [defaults in square brackets]
 
  deltaDFS  - constant offset in dipolar couplings [0]
  verbose   - if true, sporadically spit out info [False]
  useDistance- if true, include the 1/r^3 dependence in the calcedShift
               calculation. Note that this feature changes the meaning
               and units of Da [0].
  useSign   - if false, ignore the sign of the calculated and observed
              dipolar coupling; this if the sign of the shift is
              unknown [1].
  gyroA     
  gyroB     - linear scaling factors for the calculated dipolar coupling.
  scale            - scale factor (force constant) [1]
  threshold - threshold in violation calculation [0]
  potType   - type of potential: "harmonic" or "square" ["harmonic"]
  aveType   - type of averaging to use for indistinguishable atoms:
              "sum" or "average" ["average"]
  showAllRestraints - boolean which changes the behavior of showViolations. If 
                      this parameter is set to True, the behavior of
                      showViolations is modified such that all restraints are
                      printed. Violated restraints are indicated by an
                      asterisk in the first column. [0]
 
 the above quantities may be retrieved using the member function form
 quantity(), while they are set using the form setQuantity(value).
 
assignment table:
  entries in the restraint list have the following form
 
      assign ( sel OO ) ( sel  Z ) ( sel  X ) ( sel  Y )
             ( sel m  ) ( sel n  )  obsShift error1 [error2]
 
  where the first four selections are present for compatibility with
  XPLOR assignment tables. the m and n selections specify the atoms
  involved in the interaction. the observed dipolar shift is given by
  the obsShift argument, and the error bounds are given by error1 and
  error2.  If error2 is absent, it defaults to error1.
 
 
 The dipolar shift is given by the equation
 
   calcedShift =  DFS + Da (3 vz^2 -1) + 3/2 Da*R ( vx^2 - vy^2 )
 
 where R is the rhombic tensor component, and vx,vy,vz are the
 projections of the unit vector in the direction mn onto the
 corresponding coordinate axis representing tensor orientation. Da is scaled 
 by gyroA and gyroB. Typically, these are set to one, or are set to scale
 factors such that a single Da value can be used with experiments 
 involving different nuclei. These scale factors are usually set 
 using the helper function rdcPotTools.scale_toNH.
 
 If useDistance is 1, the Da is scaled by 1 / |q_m - q_n|^3. Note that
 this changes the units of Da. This feature is frequently used in
 proton-proton experiments. If the Da is fixed, one will need an
 additional experiment to obtain a value for Da, and the value scaled
 appropriately. For example, if Da(NH) is available from a 15N-1H
 experiment in the same medium, the H-H Da would be set as Da(NH) *
 r(NH)^3 * gamma(N) gamma(N) = 10.47*Da(NH), where r(NH) is the NH
 bond distance, and gamma(N) and  gamma(H) are the gyromagnetic ratio
 of 15N and 1H, respectively.  
 
 
 The energy function is defined as
 
        1/2 * scale * (calcedShift - effShift)^2
 
 where for potType=harmonic, effShift = obsShift. For potType=square,
 
       effShift = calcedShift, if 
                    obsShift-error1 < calcedShift < obsShift+error2
                = calcedShift+error1, if calcedShift < obsShift-error1
                = calcedShift-error2, if calcedShift > obsShift+error2
 
 
  
 
  Restraint class
 
methods:
  energy() - energy due to this restraint
    
  calcd()  - calculated value of dipolar coupling (ensemble average).
  obs()    - observed value of dipolar coupling.
  diff()   - difference between calcd and obs
 
  plusErr(), minusErr() - bounds for the square well potential
 
  aSel() - atomSel for atom A
  bSel() - atomSel for atom B
 
  bondVectors() - list of Vec3 - non-normalized bond vectors for each 
                  member of the ensemble
 
  calced_contrib() - list of contributions due to each ensemble member.
 
  deviation() - measure of spread between different ensemble members
 

 
Classes
       
__builtin__.object
CDSList_RDCPot1_Restraint
CDSList_RDCPot1_RestraintPtr
Modified
ModifiedPtr
ModifiedBase
ModifiedBasePtr
RDCPot1
RDCPot1Ptr
RDCPot1_LetterClass
RDCPot1_LetterClassPtr
Restraint_RDCPot1
RDCPot1_Restraint
RDCPot1_RestraintPtr
Restraint_RDCPot1Ptr
rc_ptr_RDCPot1_Restraint
rc_ptr_RDCPot1_RestraintPtr

 
class CDSList_RDCPot1_Restraint(__builtin__.object)
     Methods defined here:
__del__(self, destroy=<built-in function delete_CDSList_RDCPot1_Restraint>)
__delitem__(*args)
__getattr__ lambda self, name
__getitem__(*args)
__getslice__(*args)
__init__(self, *args)
__len__(*args)
__repr__(self)
__setattr__ lambda self, name, value
__setitem__(*args)
help(*args)
Data and other attributes defined here:
__dict__ = <dictproxy object at 0x12dada8>
dictionary for instance variables (if defined)
__swig_getmethods__ = {}
__swig_setmethods__ = {}
__weakref__ = <attribute '__weakref__' of 'CDSList_RDCPot1_Restraint' objects>
list of weak references to the object (if defined)

 
class CDSList_RDCPot1_RestraintPtr(CDSList_RDCPot1_Restraint)
    
Method resolution order:
CDSList_RDCPot1_RestraintPtr
CDSList_RDCPot1_Restraint
__builtin__.object
Methods defined here:
__init__(self, this)
Methods inherited from CDSList_RDCPot1_Restraint:
__del__(self, destroy=<built-in function delete_CDSList_RDCPot1_Restraint>)
__delitem__(*args)
__getattr__ lambda self, name
__getitem__(*args)
__getslice__(*args)
__len__(*args)
__repr__(self)
__setattr__ lambda self, name, value
__setitem__(*args)
help(*args)
Data and other attributes inherited from CDSList_RDCPot1_Restraint:
__dict__ = <dictproxy object at 0x12dacc8>
dictionary for instance variables (if defined)
__swig_getmethods__ = {}
__swig_setmethods__ = {}
__weakref__ = <attribute '__weakref__' of 'CDSList_RDCPot1_Restraint' objects>
list of weak references to the object (if defined)

 
class Modified(__builtin__.object)
     Methods defined here:
__call__(*args)
__del__(self, destroy=<built-in function delete_Modified>)
__getattr__ lambda self, name
__init__(self, *args)
__repr__(self)
__setattr__ lambda self, name, value
clear(*args)
set(*args)
update(*args)
value(*args)
Data and other attributes defined here:
MOD_SELF = 1
MOD_SIMULATION = 2
__dict__ = <dictproxy object at 0x12dae88>
dictionary for instance variables (if defined)
__swig_getmethods__ = {}
__swig_setmethods__ = {}
__weakref__ = <attribute '__weakref__' of 'Modified' objects>
list of weak references to the object (if defined)

 
class ModifiedBase(__builtin__.object)
     Methods defined here:
__del__(self, destroy=<built-in function delete_ModifiedBase>)
__getattr__ lambda self, name
__init__(self)
__repr__(self)
__setattr__ lambda self, name, value
registerTo(*args)
unRegister(*args)
updateValues(*args)
Properties defined here:
modified
get = ModifiedBase_modified_get(...)
set = ModifiedBase_modified_set(...)
registeredSimulations
get = ModifiedBase_registeredSimulations_get(...)
set = ModifiedBase_registeredSimulations_set(...)
Data and other attributes defined here:
__dict__ = <dictproxy object at 0x12dada8>
dictionary for instance variables (if defined)
__swig_getmethods__ = {'modified': <built-in function ModifiedBase_modified_get>, 'registeredSimulations': <built-in function ModifiedBase_registeredSimulations_get>}
__swig_setmethods__ = {'modified': <built-in function ModifiedBase_modified_set>, 'registeredSimulations': <built-in function ModifiedBase_registeredSimulations_set>}
__weakref__ = <attribute '__weakref__' of 'ModifiedBase' objects>
list of weak references to the object (if defined)

 
class ModifiedBasePtr(ModifiedBase)
    
Method resolution order:
ModifiedBasePtr
ModifiedBase
__builtin__.object
Methods defined here:
__init__(self, this)
Methods inherited from ModifiedBase:
__del__(self, destroy=<built-in function delete_ModifiedBase>)
__getattr__ lambda self, name
__repr__(self)
__setattr__ lambda self, name, value
registerTo(*args)
unRegister(*args)
updateValues(*args)
Properties inherited from ModifiedBase:
modified
get = ModifiedBase_modified_get(...)
set = ModifiedBase_modified_set(...)
registeredSimulations
get = ModifiedBase_registeredSimulations_get(...)
set = ModifiedBase_registeredSimulations_set(...)
Data and other attributes inherited from ModifiedBase:
__dict__ = <dictproxy object at 0x12daa60>
dictionary for instance variables (if defined)
__swig_getmethods__ = {'modified': <built-in function ModifiedBase_modified_get>, 'registeredSimulations': <built-in function ModifiedBase_registeredSimulations_get>}
__swig_setmethods__ = {'modified': <built-in function ModifiedBase_modified_set>, 'registeredSimulations': <built-in function ModifiedBase_registeredSimulations_set>}
__weakref__ = <attribute '__weakref__' of 'ModifiedBase' objects>
list of weak references to the object (if defined)

 
class ModifiedPtr(Modified)
    
Method resolution order:
ModifiedPtr
Modified
__builtin__.object
Methods defined here:
__init__(self, this)
Methods inherited from Modified:
__call__(*args)
__del__(self, destroy=<built-in function delete_Modified>)
__getattr__ lambda self, name
__repr__(self)
__setattr__ lambda self, name, value
clear(*args)
set(*args)
update(*args)
value(*args)
Data and other attributes inherited from Modified:
MOD_SELF = 1
MOD_SIMULATION = 2
__dict__ = <dictproxy object at 0x12daa60>
dictionary for instance variables (if defined)
__swig_getmethods__ = {}
__swig_setmethods__ = {}
__weakref__ = <attribute '__weakref__' of 'Modified' objects>
list of weak references to the object (if defined)

 
class RDCPot1(__builtin__.object)
     Methods defined here:
__del__(self, destroy=<built-in function delete_RDCPot1>)
__deref__(*args)
__getattr__ lambda self, name
__init__(self, *args)
__mul__(*args)
__oldinit__ = __init__(self, *args)
__repr__(self)
__setattr__ lambda self, name, value
addRestraint(*args)
addRestraints(*args)
aveType(*args)
bondLength(*args)
calcEnergy(*args)
calcEnergyAndDerivs(*args)
deltaDFS(*args)
deviation(*args)
energyMaybeDerivs0(*args)
energyMaybeDerivs1(*args)
energyMaybeDerivs2(*args)
energyMaybeDerivs3(*args)
energyMaybeDerivs4(*args)
gyroA(*args)
gyroB(*args)
help(*args)
incrRefCount(*args)
info(*args)
instanceData(*args)
instanceName(*args)
numRestraints(*args)
pointer(*args)
potName(*args)
potType(*args)
rawRestraints(*args)
registerInstanceData(*args)
registerTo(*args)
removeRestraint(*args)
resetPotName(*args)
restraints(*args)
rms(*args)
scale(*args)
setAveType(*args)
setBondLength(*args)
setDeltaDFS(*args)
setGyroA(*args)
setGyroB(*args)
setPotType(*args)
setScale(*args)
setShowAllRestraints(*args)
setThreshold(*args)
setUseDistance(*args)
setUseSign(*args)
setVerbose(*args)
showAllRestraints(*args)
showRestraints(*args)
showViolations(*args)
simulation(*args)
threshold(*args)
unRegister(*args)
updateValues(*args)
useDistance(*args)
useSign(*args)
verbose(*args)
violations(*args)
Properties defined here:
instanceData_
get = RDCPot1_instanceData__get(...)
set = RDCPot1_instanceData__set(...)
modified
get = RDCPot1_modified_get(...)
set = RDCPot1_modified_set(...)
oTensor
get = RDCPot1_oTensor_get(...)
set = RDCPot1_oTensor_set(...)
registeredSimulations
get = RDCPot1_registeredSimulations_get(...)
set = RDCPot1_registeredSimulations_set(...)
Data and other attributes defined here:
__dict__ = <dictproxy object at 0x12ed0c0>
dictionary for instance variables (if defined)
__swig_getmethods__ = {'instanceData_': <built-in function RDCPot1_instanceData__get>, 'modified': <built-in function RDCPot1_modified_get>, 'oTensor': <built-in function RDCPot1_oTensor_get>, 'registeredSimulations': <built-in function RDCPot1_registeredSimulations_get>}
__swig_setmethods__ = {'instanceData_': <built-in function RDCPot1_instanceData__set>, 'modified': <built-in function RDCPot1_modified_set>, 'oTensor': <built-in function RDCPot1_oTensor_set>, 'registeredSimulations': <built-in function RDCPot1_registeredSimulations_set>}
__weakref__ = <attribute '__weakref__' of 'RDCPot1' objects>
list of weak references to the object (if defined)

 
class RDCPot1Ptr(RDCPot1)
    
Method resolution order:
RDCPot1Ptr
RDCPot1
__builtin__.object
Methods defined here:
__init__(self, this)
Methods inherited from RDCPot1:
__del__(self, destroy=<built-in function delete_RDCPot1>)
__deref__(*args)
__getattr__ lambda self, name
__mul__(*args)
__oldinit__ = __init__(self, *args)
__repr__(self)
__setattr__ lambda self, name, value
addRestraint(*args)
addRestraints(*args)
aveType(*args)
bondLength(*args)
calcEnergy(*args)
calcEnergyAndDerivs(*args)
deltaDFS(*args)
deviation(*args)
energyMaybeDerivs0(*args)
energyMaybeDerivs1(*args)
energyMaybeDerivs2(*args)
energyMaybeDerivs3(*args)
energyMaybeDerivs4(*args)
gyroA(*args)
gyroB(*args)
help(*args)
incrRefCount(*args)
info(*args)
instanceData(*args)
instanceName(*args)
numRestraints(*args)
pointer(*args)
potName(*args)
potType(*args)
rawRestraints(*args)
registerInstanceData(*args)
registerTo(*args)
removeRestraint(*args)
resetPotName(*args)
restraints(*args)
rms(*args)
scale(*args)
setAveType(*args)
setBondLength(*args)
setDeltaDFS(*args)
setGyroA(*args)
setGyroB(*args)
setPotType(*args)
setScale(*args)
setShowAllRestraints(*args)
setThreshold(*args)
setUseDistance(*args)
setUseSign(*args)
setVerbose(*args)
showAllRestraints(*args)
showRestraints(*args)
showViolations(*args)
simulation(*args)
threshold(*args)
unRegister(*args)
updateValues(*args)
useDistance(*args)
useSign(*args)
verbose(*args)
violations(*args)
Properties inherited from RDCPot1:
instanceData_
get = RDCPot1_instanceData__get(...)
set = RDCPot1_instanceData__set(...)
modified
get = RDCPot1_modified_get(...)
set = RDCPot1_modified_set(...)
oTensor
get = RDCPot1_oTensor_get(...)
set = RDCPot1_oTensor_set(...)
registeredSimulations
get = RDCPot1_registeredSimulations_get(...)
set = RDCPot1_registeredSimulations_set(...)
Data and other attributes inherited from RDCPot1:
__dict__ = <dictproxy object at 0x12daef8>
dictionary for instance variables (if defined)
__swig_getmethods__ = {'instanceData_': <built-in function RDCPot1_instanceData__get>, 'modified': <built-in function RDCPot1_modified_get>, 'oTensor': <built-in function RDCPot1_oTensor_get>, 'registeredSimulations': <built-in function RDCPot1_registeredSimulations_get>}
__swig_setmethods__ = {'instanceData_': <built-in function RDCPot1_instanceData__set>, 'modified': <built-in function RDCPot1_modified_set>, 'oTensor': <built-in function RDCPot1_oTensor_set>, 'registeredSimulations': <built-in function RDCPot1_registeredSimulations_set>}
__weakref__ = <attribute '__weakref__' of 'RDCPot1' objects>
list of weak references to the object (if defined)

 
class RDCPot1_LetterClass(__builtin__.object)
     Methods defined here:
__del__(self, destroy=<built-in function delete_RDCPot1_LetterClass>)
__getattr__ lambda self, name
__init__(self, *args)
__repr__(self)
__setattr__ lambda self, name, value
addRestraint(*args)
addRestraints(*args)
aveType(*args)
bondLength(*args)
deltaDFS(*args)
deviation(*args)
energyMaybeDerivs0(*args)
energyMaybeDerivs1(*args)
energyMaybeDerivs2(*args)
energyMaybeDerivs3(*args)
gyroA(*args)
gyroB(*args)
help(*args)
info(*args)
numRestraints(*args)
potType(*args)
rawRestraints(*args)
removeRestraint(*args)
restraints(*args)
rms(*args)
setAveType(*args)
setBondLength(*args)
setDeltaDFS(*args)
setGyroA(*args)
setGyroB(*args)
setPotType(*args)
setShowAllRestraints(*args)
setUseDistance(*args)
setUseSign(*args)
setVerbose(*args)
showAllRestraints(*args)
showRestraints(*args)
showViolations(*args)
simulation(*args)
useDistance(*args)
useSign(*args)
verbose(*args)
violations(*args)
Properties defined here:
oTensor
get = RDCPot1_LetterClass_oTensor_get(...)
set = RDCPot1_LetterClass_oTensor_set(...)
Data and other attributes defined here:
AVE = 0
HARMONIC = 0
LINEAR = 2
LINEARSQUARE = 3
SQUARE = 1
SUM = 1
__dict__ = <dictproxy object at 0x12dade0>
dictionary for instance variables (if defined)
__swig_getmethods__ = {'oTensor': <built-in function RDCPot1_LetterClass_oTensor_get>}
__swig_setmethods__ = {'oTensor': <built-in function RDCPot1_LetterClass_oTensor_set>}
__weakref__ = <attribute '__weakref__' of 'RDCPot1_LetterClass' objects>
list of weak references to the object (if defined)

 
class RDCPot1_LetterClassPtr(RDCPot1_LetterClass)
    
Method resolution order:
RDCPot1_LetterClassPtr
RDCPot1_LetterClass
__builtin__.object
Methods defined here:
__init__(self, this)
Methods inherited from RDCPot1_LetterClass:
__del__(self, destroy=<built-in function delete_RDCPot1_LetterClass>)
__getattr__ lambda self, name
__repr__(self)
__setattr__ lambda self, name, value
addRestraint(*args)
addRestraints(*args)
aveType(*args)
bondLength(*args)
deltaDFS(*args)
deviation(*args)
energyMaybeDerivs0(*args)
energyMaybeDerivs1(*args)
energyMaybeDerivs2(*args)
energyMaybeDerivs3(*args)
gyroA(*args)
gyroB(*args)
help(*args)
info(*args)
numRestraints(*args)
potType(*args)
rawRestraints(*args)
removeRestraint(*args)
restraints(*args)
rms(*args)
setAveType(*args)
setBondLength(*args)
setDeltaDFS(*args)
setGyroA(*args)
setGyroB(*args)
setPotType(*args)
setShowAllRestraints(*args)
setUseDistance(*args)
setUseSign(*args)
setVerbose(*args)
showAllRestraints(*args)
showRestraints(*args)
showViolations(*args)
simulation(*args)
useDistance(*args)
useSign(*args)
verbose(*args)
violations(*args)
Properties inherited from RDCPot1_LetterClass:
oTensor
get = RDCPot1_LetterClass_oTensor_get(...)
set = RDCPot1_LetterClass_oTensor_set(...)
Data and other attributes inherited from RDCPot1_LetterClass:
AVE = 0
HARMONIC = 0
LINEAR = 2
LINEARSQUARE = 3
SQUARE = 1
SUM = 1
__dict__ = <dictproxy object at 0x12dada8>
dictionary for instance variables (if defined)
__swig_getmethods__ = {'oTensor': <built-in function RDCPot1_LetterClass_oTensor_get>}
__swig_setmethods__ = {'oTensor': <built-in function RDCPot1_LetterClass_oTensor_set>}
__weakref__ = <attribute '__weakref__' of 'RDCPot1_LetterClass' objects>
list of weak references to the object (if defined)

 
class RDCPot1_Restraint(Restraint_RDCPot1)
    
Method resolution order:
RDCPot1_Restraint
Restraint_RDCPot1
__builtin__.object
Methods defined here:
__del__(self, destroy=<built-in function delete_RDCPot1_Restraint>)
__getattr__ lambda self, name
__init__(self, *args)
__repr__(self)
__setattr__ lambda self, name, value
aSelection(*args)
aveSize(*args)
bSelection(*args)
bondVectors(*args)
calcd(*args)
calcd_contrib(*args)
deriv(*args)
deviation(*args)
minusErr(*args)
name(*args)
obs(*args)
ok(*args)
plusErr(*args)
setObs(*args)
Properties defined here:
verbose
get = RDCPot1_Restraint_verbose_get(...)
set = RDCPot1_Restraint_verbose_set(...)
Data and other attributes defined here:
__swig_getmethods__ = {'verbose': <built-in function RDCPot1_Restraint_verbose_get>}
__swig_setmethods__ = {'verbose': <built-in function RDCPot1_Restraint_verbose_set>}
Methods inherited from Restraint_RDCPot1:
diff(*args)
setName(*args)
violated(*args)
Data and other attributes inherited from Restraint_RDCPot1:
__dict__ = <dictproxy object at 0x12dab78>
dictionary for instance variables (if defined)
__weakref__ = <attribute '__weakref__' of 'Restraint_RDCPot1' objects>
list of weak references to the object (if defined)

 
class RDCPot1_RestraintPtr(RDCPot1_Restraint)
    
Method resolution order:
RDCPot1_RestraintPtr
RDCPot1_Restraint
Restraint_RDCPot1
__builtin__.object
Methods defined here:
__init__(self, this)
Methods inherited from RDCPot1_Restraint:
__del__(self, destroy=<built-in function delete_RDCPot1_Restraint>)
__getattr__ lambda self, name
__repr__(self)
__setattr__ lambda self, name, value
aSelection(*args)
aveSize(*args)
bSelection(*args)
bondVectors(*args)
calcd(*args)
calcd_contrib(*args)
deriv(*args)
deviation(*args)
minusErr(*args)
name(*args)
obs(*args)
ok(*args)
plusErr(*args)
setObs(*args)
Properties inherited from RDCPot1_Restraint:
verbose
get = RDCPot1_Restraint_verbose_get(...)
set = RDCPot1_Restraint_verbose_set(...)
Data and other attributes inherited from RDCPot1_Restraint:
__swig_getmethods__ = {'verbose': <built-in function RDCPot1_Restraint_verbose_get>}
__swig_setmethods__ = {'verbose': <built-in function RDCPot1_Restraint_verbose_set>}
Methods inherited from Restraint_RDCPot1:
diff(*args)
setName(*args)
violated(*args)
Data and other attributes inherited from Restraint_RDCPot1:
__dict__ = <dictproxy object at 0x12dab40>
dictionary for instance variables (if defined)
__weakref__ = <attribute '__weakref__' of 'Restraint_RDCPot1' objects>
list of weak references to the object (if defined)

 
class Restraint_RDCPot1(__builtin__.object)
     Methods defined here:
__del__(self, destroy=<built-in function delete_Restraint_RDCPot1>)
__getattr__ lambda self, name
__init__(self, *args)
__repr__(self)
__setattr__ lambda self, name, value
diff(*args)
name(*args)
setName(*args)
violated(*args)
Data and other attributes defined here:
__dict__ = <dictproxy object at 0x12dade0>
dictionary for instance variables (if defined)
__swig_getmethods__ = {}
__swig_setmethods__ = {}
__weakref__ = <attribute '__weakref__' of 'Restraint_RDCPot1' objects>
list of weak references to the object (if defined)

 
class Restraint_RDCPot1Ptr(Restraint_RDCPot1)
    
Method resolution order:
Restraint_RDCPot1Ptr
Restraint_RDCPot1
__builtin__.object
Methods defined here:
__init__(self, this)
Methods inherited from Restraint_RDCPot1:
__del__(self, destroy=<built-in function delete_Restraint_RDCPot1>)
__getattr__ lambda self, name
__repr__(self)
__setattr__ lambda self, name, value
diff(*args)
name(*args)
setName(*args)
violated(*args)
Data and other attributes inherited from Restraint_RDCPot1:
__dict__ = <dictproxy object at 0x12dada8>
dictionary for instance variables (if defined)
__swig_getmethods__ = {}
__swig_setmethods__ = {}
__weakref__ = <attribute '__weakref__' of 'Restraint_RDCPot1' objects>
list of weak references to the object (if defined)

 
class rc_ptr_RDCPot1_Restraint(__builtin__.object)
     Methods defined here:
__del__(self, destroy=<built-in function delete_rc_ptr_RDCPot1_Restraint>)
__deref__(*args)
__getattr__ lambda self, name
__init__(self, *args)
__mul__(*args)
__repr__(self)
__setattr__ lambda self, name, value
aSelection(*args)
aveSize(*args)
bSelection(*args)
bondVectors(*args)
calcd(*args)
calcd_contrib(*args)
count(*args)
decr(*args)
deriv(*args)
deviation(*args)
diff(*args)
incr(*args)
minusErr(*args)
name(*args)
obs(*args)
ok(*args)
plusErr(*args)
ptr(*args)
reset(*args)
setName(*args)
setObs(*args)
violated(*args)
Properties defined here:
verbose
get = rc_ptr_RDCPot1_Restraint_verbose_get(...)
set = rc_ptr_RDCPot1_Restraint_verbose_set(...)
Data and other attributes defined here:
__dict__ = <dictproxy object at 0x12dab78>
dictionary for instance variables (if defined)
__swig_getmethods__ = {'verbose': <built-in function rc_ptr_RDCPot1_Restraint_verbose_get>}
__swig_setmethods__ = {'verbose': <built-in function rc_ptr_RDCPot1_Restraint_verbose_set>}
__weakref__ = <attribute '__weakref__' of 'rc_ptr_RDCPot1_Restraint' objects>
list of weak references to the object (if defined)

 
class rc_ptr_RDCPot1_RestraintPtr(rc_ptr_RDCPot1_Restraint)
    
Method resolution order:
rc_ptr_RDCPot1_RestraintPtr
rc_ptr_RDCPot1_Restraint
__builtin__.object
Methods defined here:
__init__(self, this)
Methods inherited from rc_ptr_RDCPot1_Restraint:
__del__(self, destroy=<built-in function delete_rc_ptr_RDCPot1_Restraint>)
__deref__(*args)
__getattr__ lambda self, name
__mul__(*args)
__repr__(self)
__setattr__ lambda self, name, value
aSelection(*args)
aveSize(*args)
bSelection(*args)
bondVectors(*args)
calcd(*args)
calcd_contrib(*args)
count(*args)
decr(*args)
deriv(*args)
deviation(*args)
diff(*args)
incr(*args)
minusErr(*args)
name(*args)
obs(*args)
ok(*args)
plusErr(*args)
ptr(*args)
reset(*args)
setName(*args)
setObs(*args)
violated(*args)
Properties inherited from rc_ptr_RDCPot1_Restraint:
verbose
get = rc_ptr_RDCPot1_Restraint_verbose_get(...)
set = rc_ptr_RDCPot1_Restraint_verbose_set(...)
Data and other attributes inherited from rc_ptr_RDCPot1_Restraint:
__dict__ = <dictproxy object at 0x12dab40>
dictionary for instance variables (if defined)
__swig_getmethods__ = {'verbose': <built-in function rc_ptr_RDCPot1_Restraint_verbose_get>}
__swig_setmethods__ = {'verbose': <built-in function rc_ptr_RDCPot1_Restraint_verbose_set>}
__weakref__ = <attribute '__weakref__' of 'rc_ptr_RDCPot1_Restraint' objects>
list of weak references to the object (if defined)

 
Functions
       
help(...)