cstMagPot
index
cstMagPot.py


potential term to refine against chemical shift tensor magnitudes.
 
This term is normally constructed using the helper function 
cstMagTools.create_CSTMagPot.
 
constructor: CSTMagPot(instanceName,
                       angle1Vals,
                       angle2Vals,
                       surf1Vals,
                       surf2Vals,
                       surf3Vals,
                       simulation=0)
  instanceName is a user-specified identifier
  angle1Vals and angle2Vals are sequences of angle values defining a grid
  on which three tensor magnitudes s11, s22 and s33 are specified.
  surf1Vals, surf2Vals and surf3Vals are these surface values in 
  cdsMatrix.CDSMatrix_double objects.
  simulation is an optional simulation.Simulation specification
  [it defaults to the current Simulation.]
 
methods
  addRestraints(restraintString) - add the specified restraints specified in 
                                   the given string. See below for restraint
                                   assignment syntax.
 
  calcEnergy()                 - calc energy, returns the energy value.
  calcEnergyAndDerivs(derivs)  - calc energy, derivs, returns the energy value.
 
  rms()            - return the restraint rms violation
  numRestraints()  - return the numbder of restraints defined for this term.
  violations()     - return number of violations
  restraints()     - return a list of restraints. See the description of the
                     CSTMag_Restraint class below.
  
  info()                    - current info about the state of this instance
  showRestraints(violated)  - return info on restraints. Argument violated is
                              boolean specifying whether to return only 
                              violated restraints.
  showViolations()          - return string containing pretty-printed info
                              on all violated restraints.
 
  simulation()              - return the associated simulation.
 
 
 
 
 The following parameters can be set [defaults in square brackets]
 
  verbose    - if true, sporadically spit out info [False]
  scale      - scale factor [1]
  cstOffset  - offset added to all surfaces [0]
  cstScale   - scale factor applied to all surfaces [1]
  cstWeights - weighting in the energy calculation of each surface contribution
               [ (1,1,1) ]
  threshold  - threshold in violation calculation [0.5]
  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. [False]
 
 the above quantities may be retrieved using the member function form
 quantity(), while they are set using the form setQuantity(value).
 
The following raw members can be accessed:
 
  angle1Vals          - values of angles on the grid
  angle2Vals            returned as a list.
  surf1               - the three surfaces representations corresponding to
  surf2                 s11, s22 and s33.
  surf3                 These are spline.Spline2D objects.
 
 The energy function for each restraint is defined as
 
   scale * (w1 * (s11-s11_obs)^2 +
            w2 * (s22-s22_obs)^2 +
            w3 * (s33-s33_obs)^2 )
 
  where w1-3 are weights specified by cstWeights. s11, s22 and s33 are
calculated from the two associated dihedral phi1 and phi2 angles via
 
      s11 = cstScale * surf1(phi1,phi2) + cstOffset
 
surf1 is interpolated from the input surface grid values.
      
      
The restraint table format consists of pairs of specifications.
 
  NAME <string>
 
  ASSIgn (selection1A) (selection1B) (selection1C) (selection1D) 
         (selection2A) (selection2B) (selection2C) (selection2D) 
           <s11_obs> <s22_obs> <s33_obs>  ! optional comment
 
The name statement specifies the name for the following assignment. If
it is omitted, a numerical name is generated.
 
The two sets of four atom selections in the ASSIgn statement specify
two dihedral angles. This statement can be split across muliple lines,
but the comment, if specified, should be on the same line as s33_obs.
 
 
  CSTMag_Restraint class
 
methods:
  name()    - the restraint name
  comment() - the restraint comment (entered after the ! in the ASSIgn
              statement)
  energy()  - the energy associated with this restraint.
 
raw members:
  phi1    -    dihedral.Dihedral objects representing the two 
  phi2         dihedral angles
 
  vphi1   -    values of these angles from the most recent energy calculation
  vphi2
 
  calcd1  -    calculated surface values
  calcd2
  calcd3
 
  obs1    -    observed surface values as input via the ASSIgn statement
  obs2         in the restraint table.
  obs3
 
 

 
Classes
       
__builtin__.object
CDSList_CSTMag_Restraint
CDSList_CSTMag_RestraintPtr
CSTMagPot
CSTMagPotPtr
CSTMagPot_LetterClass
CSTMagPot_LetterClassPtr
Modified
ModifiedPtr
ModifiedBase
ModifiedBasePtr
Restraint_CSTMag
CSTMag_Restraint
CSTMag_RestraintPtr
Restraint_CSTMagPtr
rc_ptr_CSTMag_Restraint
rc_ptr_CSTMag_RestraintPtr

 
class CDSList_CSTMag_Restraint(__builtin__.object)
     Methods defined here:
__del__(self, destroy=<built-in function delete_CDSList_CSTMag_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 0x1572a98>
dictionary for instance variables (if defined)
__swig_getmethods__ = {}
__swig_setmethods__ = {}
__weakref__ = <attribute '__weakref__' of 'CDSList_CSTMag_Restraint' objects>
list of weak references to the object (if defined)

 
class CDSList_CSTMag_RestraintPtr(CDSList_CSTMag_Restraint)
    
Method resolution order:
CDSList_CSTMag_RestraintPtr
CDSList_CSTMag_Restraint
__builtin__.object

Methods defined here:
__init__(self, this)

Methods inherited from CDSList_CSTMag_Restraint:
__del__(self, destroy=<built-in function delete_CDSList_CSTMag_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_CSTMag_Restraint:
__dict__ = <dictproxy object at 0x15729f0>
dictionary for instance variables (if defined)
__swig_getmethods__ = {}
__swig_setmethods__ = {}
__weakref__ = <attribute '__weakref__' of 'CDSList_CSTMag_Restraint' objects>
list of weak references to the object (if defined)

 
class CSTMagPot(__builtin__.object)
     Methods defined here:
__del__(self, destroy=<built-in function delete_CSTMagPot>)
__deref__(*args)
__getattr__ lambda self, name
__init__(self, *args)
__mul__(*args)
__oldinit__ = __init__(self, *args)
__repr__(self)
__setattr__ lambda self, name, value
addRestraints(*args)
calcEnergy(*args)
calcEnergyAndDerivs(*args)
cstOffset(*args)
cstScale(*args)
cstWeights(*args)
help(*args)
incrRefCount(*args)
info(*args)
instanceData(*args)
instanceName(*args)
numRestraints(*args)
pointer(*args)
potName(*args)
registerInstanceData(*args)
registerTo(*args)
resetPotName(*args)
restraints(*args)
rms(*args)
scale(*args)
setCSTOffset(*args)
setCSTScale(*args)
setCSTWeights(*args)
setScale(*args)
setShowAllRestraints(*args)
setThreshold(*args)
setVerbose(*args)
showAllRestraints(*args)
showRestraints(*args)
showViolations(*args)
simulation(*args)
threshold(*args)
unRegister(*args)
updateValues(*args)
verbose(*args)
violations(*args)

Properties defined here:
angle1Vals
get = CSTMagPot_angle1Vals_get(...)
set = CSTMagPot_angle1Vals_set(...)
angle2Vals
get = CSTMagPot_angle2Vals_get(...)
set = CSTMagPot_angle2Vals_set(...)
instanceData_
get = CSTMagPot_instanceData__get(...)
set = CSTMagPot_instanceData__set(...)
modified
get = CSTMagPot_modified_get(...)
set = CSTMagPot_modified_set(...)
registeredSimulations
get = CSTMagPot_registeredSimulations_get(...)
set = CSTMagPot_registeredSimulations_set(...)
surf1
get = CSTMagPot_surf1_get(...)
set = CSTMagPot_surf1_set(...)
surf2
get = CSTMagPot_surf2_get(...)
set = CSTMagPot_surf2_set(...)
surf3
get = CSTMagPot_surf3_get(...)
set = CSTMagPot_surf3_set(...)

Data and other attributes defined here:
__dict__ = <dictproxy object at 0x1572b40>
dictionary for instance variables (if defined)
__swig_getmethods__ = {'angle1Vals': <built-in function CSTMagPot_angle1Vals_get>, 'angle2Vals': <built-in function CSTMagPot_angle2Vals_get>, 'instanceData_': <built-in function CSTMagPot_instanceData__get>, 'modified': <built-in function CSTMagPot_modified_get>, 'registeredSimulations': <built-in function CSTMagPot_registeredSimulations_get>, 'surf1': <built-in function CSTMagPot_surf1_get>, 'surf2': <built-in function CSTMagPot_surf2_get>, 'surf3': <built-in function CSTMagPot_surf3_get>}
__swig_setmethods__ = {'angle1Vals': <built-in function CSTMagPot_angle1Vals_set>, 'angle2Vals': <built-in function CSTMagPot_angle2Vals_set>, 'instanceData_': <built-in function CSTMagPot_instanceData__set>, 'modified': <built-in function CSTMagPot_modified_set>, 'registeredSimulations': <built-in function CSTMagPot_registeredSimulations_set>, 'surf1': <built-in function CSTMagPot_surf1_set>, 'surf2': <built-in function CSTMagPot_surf2_set>, 'surf3': <built-in function CSTMagPot_surf3_set>}
__weakref__ = <attribute '__weakref__' of 'CSTMagPot' objects>
list of weak references to the object (if defined)

 
class CSTMagPotPtr(CSTMagPot)
    
Method resolution order:
CSTMagPotPtr
CSTMagPot
__builtin__.object

Methods defined here:
__init__(self, this)

Methods inherited from CSTMagPot:
__del__(self, destroy=<built-in function delete_CSTMagPot>)
__deref__(*args)
__getattr__ lambda self, name
__mul__(*args)
__oldinit__ = __init__(self, *args)
__repr__(self)
__setattr__ lambda self, name, value
addRestraints(*args)
calcEnergy(*args)
calcEnergyAndDerivs(*args)
cstOffset(*args)
cstScale(*args)
cstWeights(*args)
help(*args)
incrRefCount(*args)
info(*args)
instanceData(*args)
instanceName(*args)
numRestraints(*args)
pointer(*args)
potName(*args)
registerInstanceData(*args)
registerTo(*args)
resetPotName(*args)
restraints(*args)
rms(*args)
scale(*args)
setCSTOffset(*args)
setCSTScale(*args)
setCSTWeights(*args)
setScale(*args)
setShowAllRestraints(*args)
setThreshold(*args)
setVerbose(*args)
showAllRestraints(*args)
showRestraints(*args)
showViolations(*args)
simulation(*args)
threshold(*args)
unRegister(*args)
updateValues(*args)
verbose(*args)
violations(*args)

Properties inherited from CSTMagPot:
angle1Vals
get = CSTMagPot_angle1Vals_get(...)
set = CSTMagPot_angle1Vals_set(...)
angle2Vals
get = CSTMagPot_angle2Vals_get(...)
set = CSTMagPot_angle2Vals_set(...)
instanceData_
get = CSTMagPot_instanceData__get(...)
set = CSTMagPot_instanceData__set(...)
modified
get = CSTMagPot_modified_get(...)
set = CSTMagPot_modified_set(...)
registeredSimulations
get = CSTMagPot_registeredSimulations_get(...)
set = CSTMagPot_registeredSimulations_set(...)
surf1
get = CSTMagPot_surf1_get(...)
set = CSTMagPot_surf1_set(...)
surf2
get = CSTMagPot_surf2_get(...)
set = CSTMagPot_surf2_set(...)
surf3
get = CSTMagPot_surf3_get(...)
set = CSTMagPot_surf3_set(...)

Data and other attributes inherited from CSTMagPot:
__dict__ = <dictproxy object at 0x1572a98>
dictionary for instance variables (if defined)
__swig_getmethods__ = {'angle1Vals': <built-in function CSTMagPot_angle1Vals_get>, 'angle2Vals': <built-in function CSTMagPot_angle2Vals_get>, 'instanceData_': <built-in function CSTMagPot_instanceData__get>, 'modified': <built-in function CSTMagPot_modified_get>, 'registeredSimulations': <built-in function CSTMagPot_registeredSimulations_get>, 'surf1': <built-in function CSTMagPot_surf1_get>, 'surf2': <built-in function CSTMagPot_surf2_get>, 'surf3': <built-in function CSTMagPot_surf3_get>}
__swig_setmethods__ = {'angle1Vals': <built-in function CSTMagPot_angle1Vals_set>, 'angle2Vals': <built-in function CSTMagPot_angle2Vals_set>, 'instanceData_': <built-in function CSTMagPot_instanceData__set>, 'modified': <built-in function CSTMagPot_modified_set>, 'registeredSimulations': <built-in function CSTMagPot_registeredSimulations_set>, 'surf1': <built-in function CSTMagPot_surf1_set>, 'surf2': <built-in function CSTMagPot_surf2_set>, 'surf3': <built-in function CSTMagPot_surf3_set>}
__weakref__ = <attribute '__weakref__' of 'CSTMagPot' objects>
list of weak references to the object (if defined)

 
class CSTMagPot_LetterClass(__builtin__.object)
     Methods defined here:
__del__(self, destroy=<built-in function delete_CSTMagPot_LetterClass>)
__getattr__ lambda self, name
__init__(self, *args)
__repr__(self)
__setattr__ lambda self, name, value
addRestraints(*args)
calcEnergy(*args)
calcEnergyAndDerivs(*args)
cstOffset(*args)
cstScale(*args)
cstWeights(*args)
help(*args)
info(*args)
numRestraints(*args)
restraints(*args)
rms(*args)
setCSTOffset(*args)
setCSTScale(*args)
setCSTWeights(*args)
setShowAllRestraints(*args)
setThreshold(*args)
setVerbose(*args)
showAllRestraints(*args)
showRestraints(*args)
showViolations(*args)
simulation(*args)
threshold(*args)
verbose(*args)
violations(*args)

Properties defined here:
angle1Vals
get = CSTMagPot_LetterClass_angle1Vals_get(...)
set = CSTMagPot_LetterClass_angle1Vals_set(...)
angle2Vals
get = CSTMagPot_LetterClass_angle2Vals_get(...)
set = CSTMagPot_LetterClass_angle2Vals_set(...)
surf1
get = CSTMagPot_LetterClass_surf1_get(...)
set = CSTMagPot_LetterClass_surf1_set(...)
surf2
get = CSTMagPot_LetterClass_surf2_get(...)
set = CSTMagPot_LetterClass_surf2_set(...)
surf3
get = CSTMagPot_LetterClass_surf3_get(...)
set = CSTMagPot_LetterClass_surf3_set(...)

Data and other attributes defined here:
__dict__ = <dictproxy object at 0x15729f0>
dictionary for instance variables (if defined)
__swig_getmethods__ = {'angle1Vals': <built-in function CSTMagPot_LetterClass_angle1Vals_get>, 'angle2Vals': <built-in function CSTMagPot_LetterClass_angle2Vals_get>, 'surf1': <built-in function CSTMagPot_LetterClass_surf1_get>, 'surf2': <built-in function CSTMagPot_LetterClass_surf2_get>, 'surf3': <built-in function CSTMagPot_LetterClass_surf3_get>}
__swig_setmethods__ = {'angle1Vals': <built-in function CSTMagPot_LetterClass_angle1Vals_set>, 'angle2Vals': <built-in function CSTMagPot_LetterClass_angle2Vals_set>, 'surf1': <built-in function CSTMagPot_LetterClass_surf1_set>, 'surf2': <built-in function CSTMagPot_LetterClass_surf2_set>, 'surf3': <built-in function CSTMagPot_LetterClass_surf3_set>}
__weakref__ = <attribute '__weakref__' of 'CSTMagPot_LetterClass' objects>
list of weak references to the object (if defined)

 
class CSTMagPot_LetterClassPtr(CSTMagPot_LetterClass)
    
Method resolution order:
CSTMagPot_LetterClassPtr
CSTMagPot_LetterClass
__builtin__.object

Methods defined here:
__init__(self, this)

Methods inherited from CSTMagPot_LetterClass:
__del__(self, destroy=<built-in function delete_CSTMagPot_LetterClass>)
__getattr__ lambda self, name
__repr__(self)
__setattr__ lambda self, name, value
addRestraints(*args)
calcEnergy(*args)
calcEnergyAndDerivs(*args)
cstOffset(*args)
cstScale(*args)
cstWeights(*args)
help(*args)
info(*args)
numRestraints(*args)
restraints(*args)
rms(*args)
setCSTOffset(*args)
setCSTScale(*args)
setCSTWeights(*args)
setShowAllRestraints(*args)
setThreshold(*args)
setVerbose(*args)
showAllRestraints(*args)
showRestraints(*args)
showViolations(*args)
simulation(*args)
threshold(*args)
verbose(*args)
violations(*args)

Properties inherited from CSTMagPot_LetterClass:
angle1Vals
get = CSTMagPot_LetterClass_angle1Vals_get(...)
set = CSTMagPot_LetterClass_angle1Vals_set(...)
angle2Vals
get = CSTMagPot_LetterClass_angle2Vals_get(...)
set = CSTMagPot_LetterClass_angle2Vals_set(...)
surf1
get = CSTMagPot_LetterClass_surf1_get(...)
set = CSTMagPot_LetterClass_surf1_set(...)
surf2
get = CSTMagPot_LetterClass_surf2_get(...)
set = CSTMagPot_LetterClass_surf2_set(...)
surf3
get = CSTMagPot_LetterClass_surf3_get(...)
set = CSTMagPot_LetterClass_surf3_set(...)

Data and other attributes inherited from CSTMagPot_LetterClass:
__dict__ = <dictproxy object at 0x1572b78>
dictionary for instance variables (if defined)
__swig_getmethods__ = {'angle1Vals': <built-in function CSTMagPot_LetterClass_angle1Vals_get>, 'angle2Vals': <built-in function CSTMagPot_LetterClass_angle2Vals_get>, 'surf1': <built-in function CSTMagPot_LetterClass_surf1_get>, 'surf2': <built-in function CSTMagPot_LetterClass_surf2_get>, 'surf3': <built-in function CSTMagPot_LetterClass_surf3_get>}
__swig_setmethods__ = {'angle1Vals': <built-in function CSTMagPot_LetterClass_angle1Vals_set>, 'angle2Vals': <built-in function CSTMagPot_LetterClass_angle2Vals_set>, 'surf1': <built-in function CSTMagPot_LetterClass_surf1_set>, 'surf2': <built-in function CSTMagPot_LetterClass_surf2_set>, 'surf3': <built-in function CSTMagPot_LetterClass_surf3_set>}
__weakref__ = <attribute '__weakref__' of 'CSTMagPot_LetterClass' objects>
list of weak references to the object (if defined)

 
class CSTMag_Restraint(Restraint_CSTMag)
    
Method resolution order:
CSTMag_Restraint
Restraint_CSTMag
__builtin__.object

Methods defined here:
__del__(self, destroy=<built-in function delete_CSTMag_Restraint>)
__getattr__ lambda self, name
__init__(self, *args)
__repr__(self)
__setattr__ lambda self, name, value
deriv(*args)
energy(*args)
name(*args)

Properties defined here:
calcd1
get = CSTMag_Restraint_calcd1_get(...)
set = CSTMag_Restraint_calcd1_set(...)
calcd2
get = CSTMag_Restraint_calcd2_get(...)
set = CSTMag_Restraint_calcd2_set(...)
calcd3
get = CSTMag_Restraint_calcd3_get(...)
set = CSTMag_Restraint_calcd3_set(...)
obs1
get = CSTMag_Restraint_obs1_get(...)
set = CSTMag_Restraint_obs1_set(...)
obs2
get = CSTMag_Restraint_obs2_get(...)
set = CSTMag_Restraint_obs2_set(...)
obs3
get = CSTMag_Restraint_obs3_get(...)
set = CSTMag_Restraint_obs3_set(...)
phi1
get = CSTMag_Restraint_phi1_get(...)
set = CSTMag_Restraint_phi1_set(...)
phi2
get = CSTMag_Restraint_phi2_get(...)
set = CSTMag_Restraint_phi2_set(...)
vphi1
get = CSTMag_Restraint_vphi1_get(...)
set = CSTMag_Restraint_vphi1_set(...)
vphi2
get = CSTMag_Restraint_vphi2_get(...)
set = CSTMag_Restraint_vphi2_set(...)

Data and other attributes defined here:
__swig_getmethods__ = {'calcd1': <built-in function CSTMag_Restraint_calcd1_get>, 'calcd2': <built-in function CSTMag_Restraint_calcd2_get>, 'calcd3': <built-in function CSTMag_Restraint_calcd3_get>, 'obs1': <built-in function CSTMag_Restraint_obs1_get>, 'obs2': <built-in function CSTMag_Restraint_obs2_get>, 'obs3': <built-in function CSTMag_Restraint_obs3_get>, 'phi1': <built-in function CSTMag_Restraint_phi1_get>, 'phi2': <built-in function CSTMag_Restraint_phi2_get>, 'vphi1': <built-in function CSTMag_Restraint_vphi1_get>, 'vphi2': <built-in function CSTMag_Restraint_vphi2_get>}
__swig_setmethods__ = {'calcd1': <built-in function CSTMag_Restraint_calcd1_set>, 'calcd2': <built-in function CSTMag_Restraint_calcd2_set>, 'calcd3': <built-in function CSTMag_Restraint_calcd3_set>, 'obs1': <built-in function CSTMag_Restraint_obs1_set>, 'obs2': <built-in function CSTMag_Restraint_obs2_set>, 'obs3': <built-in function CSTMag_Restraint_obs3_set>, 'phi1': <built-in function CSTMag_Restraint_phi1_set>, 'phi2': <built-in function CSTMag_Restraint_phi2_set>, 'vphi1': <built-in function CSTMag_Restraint_vphi1_set>, 'vphi2': <built-in function CSTMag_Restraint_vphi2_set>}

Methods inherited from Restraint_CSTMag:
diff(*args)
setName(*args)
violated(*args)

Data and other attributes inherited from Restraint_CSTMag:
__dict__ = <dictproxy object at 0x1572ad0>
dictionary for instance variables (if defined)
__weakref__ = <attribute '__weakref__' of 'Restraint_CSTMag' objects>
list of weak references to the object (if defined)

 
class CSTMag_RestraintPtr(CSTMag_Restraint)
    
Method resolution order:
CSTMag_RestraintPtr
CSTMag_Restraint
Restraint_CSTMag
__builtin__.object

Methods defined here:
__init__(self, this)

Methods inherited from CSTMag_Restraint:
__del__(self, destroy=<built-in function delete_CSTMag_Restraint>)
__getattr__ lambda self, name
__repr__(self)
__setattr__ lambda self, name, value
deriv(*args)
energy(*args)
name(*args)

Properties inherited from CSTMag_Restraint:
calcd1
get = CSTMag_Restraint_calcd1_get(...)
set = CSTMag_Restraint_calcd1_set(...)
calcd2
get = CSTMag_Restraint_calcd2_get(...)
set = CSTMag_Restraint_calcd2_set(...)
calcd3
get = CSTMag_Restraint_calcd3_get(...)
set = CSTMag_Restraint_calcd3_set(...)
obs1
get = CSTMag_Restraint_obs1_get(...)
set = CSTMag_Restraint_obs1_set(...)
obs2
get = CSTMag_Restraint_obs2_get(...)
set = CSTMag_Restraint_obs2_set(...)
obs3
get = CSTMag_Restraint_obs3_get(...)
set = CSTMag_Restraint_obs3_set(...)
phi1
get = CSTMag_Restraint_phi1_get(...)
set = CSTMag_Restraint_phi1_set(...)
phi2
get = CSTMag_Restraint_phi2_get(...)
set = CSTMag_Restraint_phi2_set(...)
vphi1
get = CSTMag_Restraint_vphi1_get(...)
set = CSTMag_Restraint_vphi1_set(...)
vphi2
get = CSTMag_Restraint_vphi2_get(...)
set = CSTMag_Restraint_vphi2_set(...)

Data and other attributes inherited from CSTMag_Restraint:
__swig_getmethods__ = {'calcd1': <built-in function CSTMag_Restraint_calcd1_get>, 'calcd2': <built-in function CSTMag_Restraint_calcd2_get>, 'calcd3': <built-in function CSTMag_Restraint_calcd3_get>, 'obs1': <built-in function CSTMag_Restraint_obs1_get>, 'obs2': <built-in function CSTMag_Restraint_obs2_get>, 'obs3': <built-in function CSTMag_Restraint_obs3_get>, 'phi1': <built-in function CSTMag_Restraint_phi1_get>, 'phi2': <built-in function CSTMag_Restraint_phi2_get>, 'vphi1': <built-in function CSTMag_Restraint_vphi1_get>, 'vphi2': <built-in function CSTMag_Restraint_vphi2_get>}
__swig_setmethods__ = {'calcd1': <built-in function CSTMag_Restraint_calcd1_set>, 'calcd2': <built-in function CSTMag_Restraint_calcd2_set>, 'calcd3': <built-in function CSTMag_Restraint_calcd3_set>, 'obs1': <built-in function CSTMag_Restraint_obs1_set>, 'obs2': <built-in function CSTMag_Restraint_obs2_set>, 'obs3': <built-in function CSTMag_Restraint_obs3_set>, 'phi1': <built-in function CSTMag_Restraint_phi1_set>, 'phi2': <built-in function CSTMag_Restraint_phi2_set>, 'vphi1': <built-in function CSTMag_Restraint_vphi1_set>, 'vphi2': <built-in function CSTMag_Restraint_vphi2_set>}

Methods inherited from Restraint_CSTMag:
diff(*args)
setName(*args)
violated(*args)

Data and other attributes inherited from Restraint_CSTMag:
__dict__ = <dictproxy object at 0x1572a98>
dictionary for instance variables (if defined)
__weakref__ = <attribute '__weakref__' of 'Restraint_CSTMag' 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 0x1572c58>
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 0x1572b78>
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 0x1572b08>
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 0x1572b08>
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 Restraint_CSTMag(__builtin__.object)
     Methods defined here:
__del__(self, destroy=<built-in function delete_Restraint_CSTMag>)
__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 0x1572a98>
dictionary for instance variables (if defined)
__swig_getmethods__ = {}
__swig_setmethods__ = {}
__weakref__ = <attribute '__weakref__' of 'Restraint_CSTMag' objects>
list of weak references to the object (if defined)

 
class Restraint_CSTMagPtr(Restraint_CSTMag)
    
Method resolution order:
Restraint_CSTMagPtr
Restraint_CSTMag
__builtin__.object

Methods defined here:
__init__(self, this)

Methods inherited from Restraint_CSTMag:
__del__(self, destroy=<built-in function delete_Restraint_CSTMag>)
__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_CSTMag:
__dict__ = <dictproxy object at 0x15729b8>
dictionary for instance variables (if defined)
__swig_getmethods__ = {}
__swig_setmethods__ = {}
__weakref__ = <attribute '__weakref__' of 'Restraint_CSTMag' objects>
list of weak references to the object (if defined)

 
class rc_ptr_CSTMag_Restraint(__builtin__.object)
     Methods defined here:
__del__(self, destroy=<built-in function delete_rc_ptr_CSTMag_Restraint>)
__deref__(*args)
__getattr__ lambda self, name
__init__(self, *args)
__mul__(*args)
__repr__(self)
__setattr__ lambda self, name, value
count(*args)
decr(*args)
deriv(*args)
diff(*args)
energy(*args)
incr(*args)
name(*args)
ptr(*args)
reset(*args)
setName(*args)
violated(*args)

Properties defined here:
calcd1
get = rc_ptr_CSTMag_Restraint_calcd1_get(...)
set = rc_ptr_CSTMag_Restraint_calcd1_set(...)
calcd2
get = rc_ptr_CSTMag_Restraint_calcd2_get(...)
set = rc_ptr_CSTMag_Restraint_calcd2_set(...)
calcd3
get = rc_ptr_CSTMag_Restraint_calcd3_get(...)
set = rc_ptr_CSTMag_Restraint_calcd3_set(...)
obs1
get = rc_ptr_CSTMag_Restraint_obs1_get(...)
set = rc_ptr_CSTMag_Restraint_obs1_set(...)
obs2
get = rc_ptr_CSTMag_Restraint_obs2_get(...)
set = rc_ptr_CSTMag_Restraint_obs2_set(...)
obs3
get = rc_ptr_CSTMag_Restraint_obs3_get(...)
set = rc_ptr_CSTMag_Restraint_obs3_set(...)
phi1
get = rc_ptr_CSTMag_Restraint_phi1_get(...)
set = rc_ptr_CSTMag_Restraint_phi1_set(...)
phi2
get = rc_ptr_CSTMag_Restraint_phi2_get(...)
set = rc_ptr_CSTMag_Restraint_phi2_set(...)
vphi1
get = rc_ptr_CSTMag_Restraint_vphi1_get(...)
set = rc_ptr_CSTMag_Restraint_vphi1_set(...)
vphi2
get = rc_ptr_CSTMag_Restraint_vphi2_get(...)
set = rc_ptr_CSTMag_Restraint_vphi2_set(...)

Data and other attributes defined here:
__dict__ = <dictproxy object at 0x1572b08>
dictionary for instance variables (if defined)
__swig_getmethods__ = {'calcd1': <built-in function rc_ptr_CSTMag_Restraint_calcd1_get>, 'calcd2': <built-in function rc_ptr_CSTMag_Restraint_calcd2_get>, 'calcd3': <built-in function rc_ptr_CSTMag_Restraint_calcd3_get>, 'obs1': <built-in function rc_ptr_CSTMag_Restraint_obs1_get>, 'obs2': <built-in function rc_ptr_CSTMag_Restraint_obs2_get>, 'obs3': <built-in function rc_ptr_CSTMag_Restraint_obs3_get>, 'phi1': <built-in function rc_ptr_CSTMag_Restraint_phi1_get>, 'phi2': <built-in function rc_ptr_CSTMag_Restraint_phi2_get>, 'vphi1': <built-in function rc_ptr_CSTMag_Restraint_vphi1_get>, 'vphi2': <built-in function rc_ptr_CSTMag_Restraint_vphi2_get>}
__swig_setmethods__ = {'calcd1': <built-in function rc_ptr_CSTMag_Restraint_calcd1_set>, 'calcd2': <built-in function rc_ptr_CSTMag_Restraint_calcd2_set>, 'calcd3': <built-in function rc_ptr_CSTMag_Restraint_calcd3_set>, 'obs1': <built-in function rc_ptr_CSTMag_Restraint_obs1_set>, 'obs2': <built-in function rc_ptr_CSTMag_Restraint_obs2_set>, 'obs3': <built-in function rc_ptr_CSTMag_Restraint_obs3_set>, 'phi1': <built-in function rc_ptr_CSTMag_Restraint_phi1_set>, 'phi2': <built-in function rc_ptr_CSTMag_Restraint_phi2_set>, 'vphi1': <built-in function rc_ptr_CSTMag_Restraint_vphi1_set>, 'vphi2': <built-in function rc_ptr_CSTMag_Restraint_vphi2_set>}
__weakref__ = <attribute '__weakref__' of 'rc_ptr_CSTMag_Restraint' objects>
list of weak references to the object (if defined)

 
class rc_ptr_CSTMag_RestraintPtr(rc_ptr_CSTMag_Restraint)
    
Method resolution order:
rc_ptr_CSTMag_RestraintPtr
rc_ptr_CSTMag_Restraint
__builtin__.object

Methods defined here:
__init__(self, this)

Methods inherited from rc_ptr_CSTMag_Restraint:
__del__(self, destroy=<built-in function delete_rc_ptr_CSTMag_Restraint>)
__deref__(*args)
__getattr__ lambda self, name
__mul__(*args)
__repr__(self)
__setattr__ lambda self, name, value
count(*args)
decr(*args)
deriv(*args)
diff(*args)
energy(*args)
incr(*args)
name(*args)
ptr(*args)
reset(*args)
setName(*args)
violated(*args)

Properties inherited from rc_ptr_CSTMag_Restraint:
calcd1
get = rc_ptr_CSTMag_Restraint_calcd1_get(...)
set = rc_ptr_CSTMag_Restraint_calcd1_set(...)
calcd2
get = rc_ptr_CSTMag_Restraint_calcd2_get(...)
set = rc_ptr_CSTMag_Restraint_calcd2_set(...)
calcd3
get = rc_ptr_CSTMag_Restraint_calcd3_get(...)
set = rc_ptr_CSTMag_Restraint_calcd3_set(...)
obs1
get = rc_ptr_CSTMag_Restraint_obs1_get(...)
set = rc_ptr_CSTMag_Restraint_obs1_set(...)
obs2
get = rc_ptr_CSTMag_Restraint_obs2_get(...)
set = rc_ptr_CSTMag_Restraint_obs2_set(...)
obs3
get = rc_ptr_CSTMag_Restraint_obs3_get(...)
set = rc_ptr_CSTMag_Restraint_obs3_set(...)
phi1
get = rc_ptr_CSTMag_Restraint_phi1_get(...)
set = rc_ptr_CSTMag_Restraint_phi1_set(...)
phi2
get = rc_ptr_CSTMag_Restraint_phi2_get(...)
set = rc_ptr_CSTMag_Restraint_phi2_set(...)
vphi1
get = rc_ptr_CSTMag_Restraint_vphi1_get(...)
set = rc_ptr_CSTMag_Restraint_vphi1_set(...)
vphi2
get = rc_ptr_CSTMag_Restraint_vphi2_get(...)
set = rc_ptr_CSTMag_Restraint_vphi2_set(...)

Data and other attributes inherited from rc_ptr_CSTMag_Restraint:
__dict__ = <dictproxy object at 0x15728d8>
dictionary for instance variables (if defined)
__swig_getmethods__ = {'calcd1': <built-in function rc_ptr_CSTMag_Restraint_calcd1_get>, 'calcd2': <built-in function rc_ptr_CSTMag_Restraint_calcd2_get>, 'calcd3': <built-in function rc_ptr_CSTMag_Restraint_calcd3_get>, 'obs1': <built-in function rc_ptr_CSTMag_Restraint_obs1_get>, 'obs2': <built-in function rc_ptr_CSTMag_Restraint_obs2_get>, 'obs3': <built-in function rc_ptr_CSTMag_Restraint_obs3_get>, 'phi1': <built-in function rc_ptr_CSTMag_Restraint_phi1_get>, 'phi2': <built-in function rc_ptr_CSTMag_Restraint_phi2_get>, 'vphi1': <built-in function rc_ptr_CSTMag_Restraint_vphi1_get>, 'vphi2': <built-in function rc_ptr_CSTMag_Restraint_vphi2_get>}
__swig_setmethods__ = {'calcd1': <built-in function rc_ptr_CSTMag_Restraint_calcd1_set>, 'calcd2': <built-in function rc_ptr_CSTMag_Restraint_calcd2_set>, 'calcd3': <built-in function rc_ptr_CSTMag_Restraint_calcd3_set>, 'obs1': <built-in function rc_ptr_CSTMag_Restraint_obs1_set>, 'obs2': <built-in function rc_ptr_CSTMag_Restraint_obs2_set>, 'obs3': <built-in function rc_ptr_CSTMag_Restraint_obs3_set>, 'phi1': <built-in function rc_ptr_CSTMag_Restraint_phi1_set>, 'phi2': <built-in function rc_ptr_CSTMag_Restraint_phi2_set>, 'vphi1': <built-in function rc_ptr_CSTMag_Restraint_vphi1_set>, 'vphi2': <built-in function rc_ptr_CSTMag_Restraint_vphi2_set>}
__weakref__ = <attribute '__weakref__' of 'rc_ptr_CSTMag_Restraint' objects>
list of weak references to the object (if defined)

 
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