potential term for solution-phase scattering experiments, including 
SAXS and SANS
 
 One normally creates SolnScatPot objects using 
solnXRayPotTools.create_XRayScatPot or sansPotTools.create_SANSPot.
 
constructor:
 
  SolnScatPot(instanceName,
              sel         ,
              qValues     ,
              groupMap    ,
              formFactors ,
              iFormFactors,
              globDefs    ,
              experiment  ,
              simulation  )
 
  where:
    instanceName  user-specified identifier.
    sel           atomSel.AtomSel which specifies atoms to use in 
                  the scattering calculation (frequently all heavy atoms).
    qValues       a sequence of values of scattering vector at which
                  to perform refinement. q=4 PI sin(theta) / lambda,
                  where 2 theta is the scattering angle, and lambda is
                  the wavelength of the incident beam. These should usually
                  be specified at uniform values of q.
    groupMap      a sequence of group names to use in the scattering calc.
    formFactors   a sequence of maps of group name to effective form factor,
                  one for each value of scattering vector- in the same order
    iFormFactors  a sequence of maps of atom index to effective form factor,
                  one for each value of scattering vector- in the same order.
                  Generally, individual atoms need not be specified-
                  but are rather specified by group name. This is for 
                  exceptions, and will override any group entry.
    globDefs      a sequence of glob definitions. Each definition is a 
                  sequence of tuples (w,index), where w is a weight and index
                  is an atom index.
    experiment    solvent-corrected experimental scattering intensity values-
                  one for each value of q.
    simulation    optional simulation.Simulation object.
 
members:
 The following parameters can be set [defaults in square brackets]
 
  scale            - scale factor (force constant) [1]
  weights   - sequence of weight factors for rms, energy calculation.
              See below. Default is a value of 1 for all.
 
  calcType  - specifies how I(q) is to be calculated. Valid values are
                "n2"  - use the exact, but slow Debye formula.
                "n"   - numerically integrate over surface of constant
                        q, using theta, phi values determined by angleType
                 "uniform" - a faster version of the n algorithm which
                             can be used if q values are equally spaced,
                             starting at 0.
                 "multipole" - Use the spherical harmonic expansion of
                                 Svergun, Barberato and Koch, 
                                 J. Appl. Cryt. 28, 768 (1995)
                               Note: at this time it is not possible
                               to refine using the calcType, as the 
                               derivatives are not yet coded.
 
 
  numAngles - for calcTypes n and uniform, the number of (theta,phi)
              pairs to use in the evaluation of I(q).
 
  angleType - specifies how (theta,phi) angle pairs are chosen over
              the surface of a sphere. Choices are:
                "random"    - choose randomly- not recommended.
                "fibonacci" - method based on Fibonacci numbers.
                                D. Svergun, Acta Cryst. A50, 391 (1994).
                "spiral"    - spiral algorithm from 
                                E.B. Saff and A.B.J. Kuijlaars, 
                                Distributing Many Points on a Sphere,
                                The Mathematical Intelligencer, 19(1), 
                                Winter (1997).
                              This is the preferred algorithm.
 
  lMax      - for calcType multipole, the maximum value of l to use in
              the spherical harmonic expansion.
 
  cmpType   - should be "plain" or "log." This controls whether the
              logarithm is taken before the energy is evaluated. See below.
              [Default: plain]
 
  globs     - sequence of glob definitions - see description above.
 
  normalizeIndex - if greater than or equal to zero, specifies which
                   value of q at which to consider Icalc and Iobs to be
                   equal. If the value is -2, the normalization is taken
                   as the average of the Icalc or Iobs values weighted by
                   weights. If the value of normalizeIndex lies outside 
                   the above values, no normalization is performed.
                   [default: -2]
 
  useGlobs  - whether or not to use globs in the scattering calculation.
 
  verbose   - if true, produce more detailed output [False]
 
 
 the above quantities may be retrieved using the member function form
 quantity(), while they are set using the form setQuantity(value).
 
 
  QValues - a plain member containing values of (x,y,z) on a r=1
            sphere used for numerical integration of I(q).
 
 
methods:
  
  calcEnergy()                 - calc energy, returns the energy value.
  calcEnergyAndDerivs(derivs)  - calc energy, derivs, returns the energy value.
 
  calcGlobCorrect(calcType) - calculate the globic correction factor. calcType 
                              specifies the calculation used to calculate the 
                              correction. It defaults to the current calcType.
 
  globCorrect() - return the current globic correction factor.
 
  rms()         - return the rms of calcedShift - effShift
 
  info()       - string with current info about the state of this instance
  simulation() - return the associated simulation.Simulation.
 
  qValues() - return the values of q (as set in the constructor).
  expt()    - return the observed values of I(q) (as set in the constructor).
  calcd()   - return the calculated values of I(q).
  formFactors()  - return the formFactor map set in the constructor.
  iFormFactors() - return the atom-indec formFactor map.
 
  exptScale()  Iobs(qn), for n=normalizeIndex, if normalizeIndex>-1, 
               1 otherwise.
  calcScale()  Icalc(qn), for n=normalizeIndex, if normalizeIndex>-1, 
               1 otherwise.
 
  I_contrib(memberIndex) - the scatter intensity from the specified ensemble
                           member structure, or the local member if the
                           index is omitted.
  selection()            - return the atom selection specified in the 
                           constructor.
 
Energy is calculated as
 
  scale * rms^2
 
where
 
   rms^2 = sum_i w_i (Icalc_i - Iobs_i)^2 / (Nq),
 
in which Nq is the total number of values of q at which Iobs is
specified. 
 
 
Given a set of atomic coordinates the scattering intensity is
calculated from the following expression: 
 
    I(q) = <| A(Q) |^2>_q
 
where <>_q denotes average over solid angle at constant amplitude of
the scattering vector.
 
The scattering amplitude A(Q) consists of a sum of contributions from
each atom (usually only heavy atoms are included)
 
  A(Q) = sum_j f_j(q) exp(i dot(Q,r_j))
 
where f_j(q) is the total effective scattering amplitude of atom j
(including excluded solvent effects), and r_j is atom j's position.
 
The integral over solid angle can be carried out analytically,
resulting in the Debye formula calcType=n2:
 
  I(q) = sum_j1 sum_j2 f_j1(q) f_j2(q) sinc(q |r_j1-r_j2|)
 
where sinc(x) = sin(x) / x.
 
This expression is quite expensive for biological systems due to the
double sum.
 
One alternative is to express A(Q) as an expansion in terms of
spherical harmonic functions (calcType=multipole), and approximate
I(q) by truncating the expansion. This is works well (is efficient)
for small scattering angles - like those used in most SAXS
experiments. For larger angles, the expansion fails spectacularly.
 
One can also evaluate the integral over solid angle by simple grid
integration (calcTypes=n, uniform). This works well for all moderate
values of q.
 
When calculated in the context of an ensembleSimulation.EnsembleSimulation
the scattering intensity becomes:
 
   I(q) = sum_n W_n I_n(q)
 
where the sum is over all members of an ensemble, w_n is the weight
for ensemble member n, and I_n(q) is the scattering intensity from
ensemble member n, calculated as above.
 
One should note that the approximate methods of calculating I(q)
introduce a rotational dependence: the grid on which the scattering
amplitude is calculated is fixed in space. This rotational dependence
implies that the potential energy term is not constant upon overall
rotation. The amount of the rotational dependence decreases with
increased numAngles. A future enhancement may have the grid rotate
along with the rest of the system.
 

Classes
		__builtin__.object Modified ModifiedPtr ModifiedBase ModifiedBasePtr SolnScatPot_NumElec_SelIndex SolnScatPot_NumElec_SelIndexPtr SolnScatPot_complex SolnScatPot_complexPtr SolnScatPot_real SolnScatPot_realPtr SolnScattBase SolnScatPot_complex_LetterClass SolnScatPot_complex_LetterClassPtr SolnScatPot_real_LetterClass SolnScatPot_real_LetterClassPtr SolnScattBasePtr   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 0x14591d8> 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 0x1459168> 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 0x1459130> 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 0x1459130> 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 SolnScatPot_NumElec_SelIndex(__builtin__.object)       Methods defined here: __del__(self, destroy=<built-in function delete_SolnScatPot_NumElec_SelIndex>) __getattr__ lambda self, name __init__(self, *args) __repr__(self) __setattr__ lambda self, name, value Properties defined here: numElec get = SolnScatPot_NumElec_SelIndex_numElec_get(...) set = SolnScatPot_NumElec_SelIndex_numElec_set(...) selIndex get = SolnScatPot_NumElec_SelIndex_selIndex_get(...) set = SolnScatPot_NumElec_SelIndex_selIndex_set(...) Data and other attributes defined here: __dict__ = <dictproxy object at 0x1459088> dictionary for instance variables (if defined) __swig_getmethods__ = {'numElec': <built-in function SolnScatPot_NumElec_SelIndex_numElec_get>, 'selIndex': <built-in function SolnScatPot_NumElec_SelIndex_selIndex_get>} __swig_setmethods__ = {'numElec': <built-in function SolnScatPot_NumElec_SelIndex_numElec_set>, 'selIndex': <built-in function SolnScatPot_NumElec_SelIndex_selIndex_set>} __weakref__ = <attribute '__weakref__' of 'SolnScatPot_NumElec_SelIndex' objects> list of weak references to the object (if defined)   class SolnScatPot_NumElec_SelIndexPtr(SolnScatPot_NumElec_SelIndex)       Method resolution order: SolnScatPot_NumElec_SelIndexPtr SolnScatPot_NumElec_SelIndex __builtin__.object Methods defined here: __init__(self, this) Methods inherited from SolnScatPot_NumElec_SelIndex: __del__(self, destroy=<built-in function delete_SolnScatPot_NumElec_SelIndex>) __getattr__ lambda self, name __repr__(self) __setattr__ lambda self, name, value Properties inherited from SolnScatPot_NumElec_SelIndex: numElec get = SolnScatPot_NumElec_SelIndex_numElec_get(...) set = SolnScatPot_NumElec_SelIndex_numElec_set(...) selIndex get = SolnScatPot_NumElec_SelIndex_selIndex_get(...) set = SolnScatPot_NumElec_SelIndex_selIndex_set(...) Data and other attributes inherited from SolnScatPot_NumElec_SelIndex: __dict__ = <dictproxy object at 0x1459050> dictionary for instance variables (if defined) __swig_getmethods__ = {'numElec': <built-in function SolnScatPot_NumElec_SelIndex_numElec_get>, 'selIndex': <built-in function SolnScatPot_NumElec_SelIndex_selIndex_get>} __swig_setmethods__ = {'numElec': <built-in function SolnScatPot_NumElec_SelIndex_numElec_set>, 'selIndex': <built-in function SolnScatPot_NumElec_SelIndex_selIndex_set>} __weakref__ = <attribute '__weakref__' of 'SolnScatPot_NumElec_SelIndex' objects> list of weak references to the object (if defined)   class SolnScatPot_complex(__builtin__.object)       Methods defined here: I_contrib(*args) __del__(self, destroy=<built-in function delete_SolnScatPot_complex>) __deref__(*args) __getattr__ lambda self, name __init__(self, *args) __mul__(*args) __oldinit__ = __init__(self, *args) __repr__(self) __setattr__ lambda self, name, value angleType(*args) calcDeriv_N(*args) calcDeriv_N2(*args) calcDeriv_uniform(*args) calcEnergy(*args) calcEnergyAndDerivs(*args) calcFGlob(*args) calcGlobCorrect(s, arg='current')          swig can't handle the enumtypemap with this overridden method:          we must do it manually calcGlobCorrect_calcType(*args) calcGlobCorrect_vec(*args) calcI_N(*args) calcI_N2(*args) calcI_multipole(*args) calcI_uniform(*args) calcPosGlob(*args) calcType(*args) calcd(*args) calcdScale(*args) cmpType(*args) convertFormFactors(*args) energyMaybeDerivs0(*args) energyMaybeDerivs1(*args) energyMaybeDerivs2(*args) energyMaybeDerivs3(*args) energyMaybeDerivs4(*args) expt(*args) exptScale(*args) formFactors(*args) globs(*args) iFormFactors(*args) incrRefCount(*args) info(*args) instanceData(*args) instanceName(*args) lMax(*args) normalizeIndex(*args) numAngles(*args) numRestraints(*args) pointer(*args) potName(*args) qValues(*args) registerInstanceData(*args) registerTo(*args) resetPotName(*args) rms(*args) scale(*args) selection(*args) setAngleType(*args) setCalcType(*args) setCmpType(*args) setFormFactors(*args) setGlobs(*args) setIFormFactors(*args) setLMax(*args) setNormalizeIndex(*args) setNumAngles(*args) setQValues(*args) setScale(*args) setThreshold(*args) setUseGlobs(*args) setVerbose(*args) setWeights(*args) simulation(*args) threshold(*args) unRegister(*args) updateValues(*args) useGlobs(*args) verbose(*args) violations(*args) weights(*args) Properties defined here: QValues get = SolnScatPot_complex_QValues_get(...) set = SolnScatPot_complex_QValues_set(...) fGlob get = SolnScatPot_complex_fGlob_get(...) set = SolnScatPot_complex_fGlob_set(...) fValues get = SolnScatPot_complex_fValues_get(...) set = SolnScatPot_complex_fValues_set(...) globCorrect get = SolnScatPot_complex_globCorrect_get(...) set = SolnScatPot_complex_globCorrect_set(...) instanceData_ get = SolnScatPot_complex_instanceData__get(...) set = SolnScatPot_complex_instanceData__set(...) modified get = SolnScatPot_complex_modified_get(...) set = SolnScatPot_complex_modified_set(...) posGlob get = SolnScatPot_complex_posGlob_get(...) set = SolnScatPot_complex_posGlob_set(...) registeredSimulations get = SolnScatPot_complex_registeredSimulations_get(...) set = SolnScatPot_complex_registeredSimulations_set(...) Data and other attributes defined here: __dict__ = <dictproxy object at 0x14ab130> dictionary for instance variables (if defined) __swig_getmethods__ = {'QValues': <built-in function SolnScatPot_complex_QValues_get>, 'fGlob': <built-in function SolnScatPot_complex_fGlob_get>, 'fValues': <built-in function SolnScatPot_complex_fValues_get>, 'globCorrect': <built-in function SolnScatPot_complex_globCorrect_get>, 'instanceData_': <built-in function SolnScatPot_complex_instanceData__get>, 'modified': <built-in function SolnScatPot_complex_modified_get>, 'posGlob': <built-in function SolnScatPot_complex_posGlob_get>, 'registeredSimulations': <built-in function SolnScatPot_complex_registeredSimulations_get>} __swig_setmethods__ = {'QValues': <built-in function SolnScatPot_complex_QValues_set>, 'fGlob': <built-in function SolnScatPot_complex_fGlob_set>, 'fValues': <built-in function SolnScatPot_complex_fValues_set>, 'globCorrect': <built-in function SolnScatPot_complex_globCorrect_set>, 'instanceData_': <built-in function SolnScatPot_complex_instanceData__set>, 'modified': <built-in function SolnScatPot_complex_modified_set>, 'posGlob': <built-in function SolnScatPot_complex_posGlob_set>, 'registeredSimulations': <built-in function SolnScatPot_complex_registeredSimulations_set>} __weakref__ = <attribute '__weakref__' of 'SolnScatPot_complex' objects> list of weak references to the object (if defined) cdsMatrix = <module 'cdsMatrix' from '/home/schwitrs/xplor-bzr/bin.Linux_2.6_x86_64/cdsMatrix.pyo'>   class SolnScatPot_complexPtr(SolnScatPot_complex)       Method resolution order: SolnScatPot_complexPtr SolnScatPot_complex __builtin__.object Methods defined here: __init__(self, this) Methods inherited from SolnScatPot_complex: I_contrib(*args) __del__(self, destroy=<built-in function delete_SolnScatPot_complex>) __deref__(*args) __getattr__ lambda self, name __mul__(*args) __oldinit__ = __init__(self, *args) __repr__(self) __setattr__ lambda self, name, value angleType(*args) calcDeriv_N(*args) calcDeriv_N2(*args) calcDeriv_uniform(*args) calcEnergy(*args) calcEnergyAndDerivs(*args) calcFGlob(*args) calcGlobCorrect(s, arg='current')          swig can't handle the enumtypemap with this overridden method:          we must do it manually calcGlobCorrect_calcType(*args) calcGlobCorrect_vec(*args) calcI_N(*args) calcI_N2(*args) calcI_multipole(*args) calcI_uniform(*args) calcPosGlob(*args) calcType(*args) calcd(*args) calcdScale(*args) cmpType(*args) convertFormFactors(*args) energyMaybeDerivs0(*args) energyMaybeDerivs1(*args) energyMaybeDerivs2(*args) energyMaybeDerivs3(*args) energyMaybeDerivs4(*args) expt(*args) exptScale(*args) formFactors(*args) globs(*args) iFormFactors(*args) incrRefCount(*args) info(*args) instanceData(*args) instanceName(*args) lMax(*args) normalizeIndex(*args) numAngles(*args) numRestraints(*args) pointer(*args) potName(*args) qValues(*args) registerInstanceData(*args) registerTo(*args) resetPotName(*args) rms(*args) scale(*args) selection(*args) setAngleType(*args) setCalcType(*args) setCmpType(*args) setFormFactors(*args) setGlobs(*args) setIFormFactors(*args) setLMax(*args) setNormalizeIndex(*args) setNumAngles(*args) setQValues(*args) setScale(*args) setThreshold(*args) setUseGlobs(*args) setVerbose(*args) setWeights(*args) simulation(*args) threshold(*args) unRegister(*args) updateValues(*args) useGlobs(*args) verbose(*args) violations(*args) weights(*args) Properties inherited from SolnScatPot_complex: QValues get = SolnScatPot_complex_QValues_get(...) set = SolnScatPot_complex_QValues_set(...) fGlob get = SolnScatPot_complex_fGlob_get(...) set = SolnScatPot_complex_fGlob_set(...) fValues get = SolnScatPot_complex_fValues_get(...) set = SolnScatPot_complex_fValues_set(...) globCorrect get = SolnScatPot_complex_globCorrect_get(...) set = SolnScatPot_complex_globCorrect_set(...) instanceData_ get = SolnScatPot_complex_instanceData__get(...) set = SolnScatPot_complex_instanceData__set(...) modified get = SolnScatPot_complex_modified_get(...) set = SolnScatPot_complex_modified_set(...) posGlob get = SolnScatPot_complex_posGlob_get(...) set = SolnScatPot_complex_posGlob_set(...) registeredSimulations get = SolnScatPot_complex_registeredSimulations_get(...) set = SolnScatPot_complex_registeredSimulations_set(...) Data and other attributes inherited from SolnScatPot_complex: __dict__ = <dictproxy object at 0x14ad130> dictionary for instance variables (if defined) __swig_getmethods__ = {'QValues': <built-in function SolnScatPot_complex_QValues_get>, 'fGlob': <built-in function SolnScatPot_complex_fGlob_get>, 'fValues': <built-in function SolnScatPot_complex_fValues_get>, 'globCorrect': <built-in function SolnScatPot_complex_globCorrect_get>, 'instanceData_': <built-in function SolnScatPot_complex_instanceData__get>, 'modified': <built-in function SolnScatPot_complex_modified_get>, 'posGlob': <built-in function SolnScatPot_complex_posGlob_get>, 'registeredSimulations': <built-in function SolnScatPot_complex_registeredSimulations_get>} __swig_setmethods__ = {'QValues': <built-in function SolnScatPot_complex_QValues_set>, 'fGlob': <built-in function SolnScatPot_complex_fGlob_set>, 'fValues': <built-in function SolnScatPot_complex_fValues_set>, 'globCorrect': <built-in function SolnScatPot_complex_globCorrect_set>, 'instanceData_': <built-in function SolnScatPot_complex_instanceData__set>, 'modified': <built-in function SolnScatPot_complex_modified_set>, 'posGlob': <built-in function SolnScatPot_complex_posGlob_set>, 'registeredSimulations': <built-in function SolnScatPot_complex_registeredSimulations_set>} __weakref__ = <attribute '__weakref__' of 'SolnScatPot_complex' objects> list of weak references to the object (if defined) cdsMatrix = <module 'cdsMatrix' from '/home/schwitrs/xplor-bzr/bin.Linux_2.6_x86_64/cdsMatrix.pyo'>   class SolnScatPot_complex_LetterClass(SolnScattBase)       Method resolution order: SolnScatPot_complex_LetterClass SolnScattBase __builtin__.object Methods defined here: I_contrib(*args) __del__(self, destroy=<built-in function delete_SolnScatPot_complex_LetterClass>) __getattr__ lambda self, name __init__(self, *args) __repr__(self) __setattr__ lambda self, name, value angleType(*args) calcDeriv_N(*args) calcDeriv_N2(*args) calcDeriv_uniform(*args) calcFGlob(*args) calcGlobCorrect_calcType(*args) calcGlobCorrect_vec(*args) calcI_N(*args) calcI_N2(*args) calcI_multipole(*args) calcI_uniform(*args) calcPosGlob(*args) calcType(*args) calcd(*args) calcdScale(*args) cmpType(*args) convertFormFactors(*args) energyMaybeDerivs0(*args) energyMaybeDerivs1(*args) energyMaybeDerivs2(*args) expt(*args) exptScale(*args) formFactors(*args) globs(*args) iFormFactors(*args) info(*args) lMax(*args) normalizeIndex(*args) numAngles(*args) numRestraints(*args) qValues(*args) rms(*args) selection(*args) setAngleType(*args) setCalcType(*args) setCmpType(*args) setFormFactors(*args) setGlobs(*args) setIFormFactors(*args) setLMax(*args) setNormalizeIndex(*args) setNumAngles(*args) setQValues(*args) setUseGlobs(*args) setVerbose(*args) setWeights(*args) simulation(*args) useGlobs(*args) verbose(*args) violations(*args) weights(*args) Properties defined here: QValues get = SolnScatPot_complex_LetterClass_QValues_get(...) set = SolnScatPot_complex_LetterClass_QValues_set(...) fGlob get = SolnScatPot_complex_LetterClass_fGlob_get(...) set = SolnScatPot_complex_LetterClass_fGlob_set(...) fValues get = SolnScatPot_complex_LetterClass_fValues_get(...) set = SolnScatPot_complex_LetterClass_fValues_set(...) globCorrect get = SolnScatPot_complex_LetterClass_globCorrect_get(...) set = SolnScatPot_complex_LetterClass_globCorrect_set(...) posGlob get = SolnScatPot_complex_LetterClass_posGlob_get(...) set = SolnScatPot_complex_LetterClass_posGlob_set(...) Data and other attributes defined here: __swig_getmethods__ = {'QValues': <built-in function SolnScatPot_complex_LetterClass_QValues_get>, 'fGlob': <built-in function SolnScatPot_complex_LetterClass_fGlob_get>, 'fValues': <built-in function SolnScatPot_complex_LetterClass_fValues_get>, 'globCorrect': <built-in function SolnScatPot_complex_LetterClass_globCorrect_get>, 'posGlob': <built-in function SolnScatPot_complex_LetterClass_posGlob_get>} __swig_setmethods__ = {'QValues': <built-in function SolnScatPot_complex_LetterClass_QValues_set>, 'fGlob': <built-in function SolnScatPot_complex_LetterClass_fGlob_set>, 'fValues': <built-in function SolnScatPot_complex_LetterClass_fValues_set>, 'globCorrect': <built-in function SolnScatPot_complex_LetterClass_globCorrect_set>, 'posGlob': <built-in function SolnScatPot_complex_LetterClass_posGlob_set>} Data and other attributes inherited from SolnScattBase: ANGLE_FIBONACCI = 1 ANGLE_RANDOM = 0 ANGLE_SPIRAL = 2 CALC_CURRENT = 4 CALC_MULTIPOLE = 3 CALC_N = 1 CALC_N2 = 0 CALC_UNIFORM = 2 CMP_LOG = 0 CMP_PLAIN = 1 __dict__ = <dictproxy object at 0x14ae0f8> dictionary for instance variables (if defined) __weakref__ = <attribute '__weakref__' of 'SolnScattBase' objects> list of weak references to the object (if defined)   class SolnScatPot_complex_LetterClassPtr(SolnScatPot_complex_LetterClass)       Method resolution order: SolnScatPot_complex_LetterClassPtr SolnScatPot_complex_LetterClass SolnScattBase __builtin__.object Methods defined here: __init__(self, this) Methods inherited from SolnScatPot_complex_LetterClass: I_contrib(*args) __del__(self, destroy=<built-in function delete_SolnScatPot_complex_LetterClass>) __getattr__ lambda self, name __repr__(self) __setattr__ lambda self, name, value angleType(*args) calcDeriv_N(*args) calcDeriv_N2(*args) calcDeriv_uniform(*args) calcFGlob(*args) calcGlobCorrect_calcType(*args) calcGlobCorrect_vec(*args) calcI_N(*args) calcI_N2(*args) calcI_multipole(*args) calcI_uniform(*args) calcPosGlob(*args) calcType(*args) calcd(*args) calcdScale(*args) cmpType(*args) convertFormFactors(*args) energyMaybeDerivs0(*args) energyMaybeDerivs1(*args) energyMaybeDerivs2(*args) expt(*args) exptScale(*args) formFactors(*args) globs(*args) iFormFactors(*args) info(*args) lMax(*args) normalizeIndex(*args) numAngles(*args) numRestraints(*args) qValues(*args) rms(*args) selection(*args) setAngleType(*args) setCalcType(*args) setCmpType(*args) setFormFactors(*args) setGlobs(*args) setIFormFactors(*args) setLMax(*args) setNormalizeIndex(*args) setNumAngles(*args) setQValues(*args) setUseGlobs(*args) setVerbose(*args) setWeights(*args) simulation(*args) useGlobs(*args) verbose(*args) violations(*args) weights(*args) Properties inherited from SolnScatPot_complex_LetterClass: QValues get = SolnScatPot_complex_LetterClass_QValues_get(...) set = SolnScatPot_complex_LetterClass_QValues_set(...) fGlob get = SolnScatPot_complex_LetterClass_fGlob_get(...) set = SolnScatPot_complex_LetterClass_fGlob_set(...) fValues get = SolnScatPot_complex_LetterClass_fValues_get(...) set = SolnScatPot_complex_LetterClass_fValues_set(...) globCorrect get = SolnScatPot_complex_LetterClass_globCorrect_get(...) set = SolnScatPot_complex_LetterClass_globCorrect_set(...) posGlob get = SolnScatPot_complex_LetterClass_posGlob_get(...) set = SolnScatPot_complex_LetterClass_posGlob_set(...) Data and other attributes inherited from SolnScatPot_complex_LetterClass: __swig_getmethods__ = {'QValues': <built-in function SolnScatPot_complex_LetterClass_QValues_get>, 'fGlob': <built-in function SolnScatPot_complex_LetterClass_fGlob_get>, 'fValues': <built-in function SolnScatPot_complex_LetterClass_fValues_get>, 'globCorrect': <built-in function SolnScatPot_complex_LetterClass_globCorrect_get>, 'posGlob': <built-in function SolnScatPot_complex_LetterClass_posGlob_get>} __swig_setmethods__ = {'QValues': <built-in function SolnScatPot_complex_LetterClass_QValues_set>, 'fGlob': <built-in function SolnScatPot_complex_LetterClass_fGlob_set>, 'fValues': <built-in function SolnScatPot_complex_LetterClass_fValues_set>, 'globCorrect': <built-in function SolnScatPot_complex_LetterClass_globCorrect_set>, 'posGlob': <built-in function SolnScatPot_complex_LetterClass_posGlob_set>} Data and other attributes inherited from SolnScattBase: ANGLE_FIBONACCI = 1 ANGLE_RANDOM = 0 ANGLE_SPIRAL = 2 CALC_CURRENT = 4 CALC_MULTIPOLE = 3 CALC_N = 1 CALC_N2 = 0 CALC_UNIFORM = 2 CMP_LOG = 0 CMP_PLAIN = 1 __dict__ = <dictproxy object at 0x14ab0f8> dictionary for instance variables (if defined) __weakref__ = <attribute '__weakref__' of 'SolnScattBase' objects> list of weak references to the object (if defined)   class SolnScatPot_real(__builtin__.object)       Methods defined here: I_contrib(*args) __del__(self, destroy=<built-in function delete_SolnScatPot_real>) __deref__(*args) __getattr__ lambda self, name __init__(self, *args) __mul__(*args) __oldinit__ = __init__(self, *args) __repr__(self) __setattr__ lambda self, name, value angleType(*args) calcDeriv_N(*args) calcDeriv_N2(*args) calcDeriv_uniform(*args) calcEnergy(*args) calcEnergyAndDerivs(*args) calcFGlob(*args) calcGlobCorrect(s, arg='current')          swig can't handle the enumtypemap with this overridden method:          we must do it manually calcGlobCorrect_calcType(*args) calcGlobCorrect_vec(*args) calcI_N(*args) calcI_N2(*args) calcI_multipole(*args) calcI_uniform(*args) calcPosGlob(*args) calcType(*args) calcd(*args) calcdScale(*args) cmpType(*args) convertFormFactors(*args) energyMaybeDerivs0(*args) energyMaybeDerivs1(*args) energyMaybeDerivs2(*args) energyMaybeDerivs3(*args) energyMaybeDerivs4(*args) expt(*args) exptScale(*args) formFactors(*args) globs(*args) iFormFactors(*args) incrRefCount(*args) info(*args) instanceData(*args) instanceName(*args) lMax(*args) normalizeIndex(*args) numAngles(*args) numRestraints(*args) pointer(*args) potName(*args) qValues(*args) registerInstanceData(*args) registerTo(*args) resetPotName(*args) rms(*args) scale(*args) selection(*args) setAngleType(*args) setCalcType(*args) setCmpType(*args) setFormFactors(*args) setGlobs(*args) setIFormFactors(*args) setLMax(*args) setNormalizeIndex(*args) setNumAngles(*args) setQValues(*args) setScale(*args) setThreshold(*args) setUseGlobs(*args) setVerbose(*args) setWeights(*args) simulation(*args) threshold(*args) unRegister(*args) updateValues(*args) useGlobs(*args) verbose(*args) violations(*args) weights(*args) Properties defined here: QValues get = SolnScatPot_real_QValues_get(...) set = SolnScatPot_real_QValues_set(...) fGlob get = SolnScatPot_real_fGlob_get(...) set = SolnScatPot_real_fGlob_set(...) fValues get = SolnScatPot_real_fValues_get(...) set = SolnScatPot_real_fValues_set(...) globCorrect get = SolnScatPot_real_globCorrect_get(...) set = SolnScatPot_real_globCorrect_set(...) instanceData_ get = SolnScatPot_real_instanceData__get(...) set = SolnScatPot_real_instanceData__set(...) modified get = SolnScatPot_real_modified_get(...) set = SolnScatPot_real_modified_set(...) posGlob get = SolnScatPot_real_posGlob_get(...) set = SolnScatPot_real_posGlob_set(...) registeredSimulations get = SolnScatPot_real_registeredSimulations_get(...) set = SolnScatPot_real_registeredSimulations_set(...) Data and other attributes defined here: __dict__ = <dictproxy object at 0x14b0130> dictionary for instance variables (if defined) __swig_getmethods__ = {'QValues': <built-in function SolnScatPot_real_QValues_get>, 'fGlob': <built-in function SolnScatPot_real_fGlob_get>, 'fValues': <built-in function SolnScatPot_real_fValues_get>, 'globCorrect': <built-in function SolnScatPot_real_globCorrect_get>, 'instanceData_': <built-in function SolnScatPot_real_instanceData__get>, 'modified': <built-in function SolnScatPot_real_modified_get>, 'posGlob': <built-in function SolnScatPot_real_posGlob_get>, 'registeredSimulations': <built-in function SolnScatPot_real_registeredSimulations_get>} __swig_setmethods__ = {'QValues': <built-in function SolnScatPot_real_QValues_set>, 'fGlob': <built-in function SolnScatPot_real_fGlob_set>, 'fValues': <built-in function SolnScatPot_real_fValues_set>, 'globCorrect': <built-in function SolnScatPot_real_globCorrect_set>, 'instanceData_': <built-in function SolnScatPot_real_instanceData__set>, 'modified': <built-in function SolnScatPot_real_modified_set>, 'posGlob': <built-in function SolnScatPot_real_posGlob_set>, 'registeredSimulations': <built-in function SolnScatPot_real_registeredSimulations_set>} __weakref__ = <attribute '__weakref__' of 'SolnScatPot_real' objects> list of weak references to the object (if defined) cdsMatrix = <module 'cdsMatrix' from '/home/schwitrs/xplor-bzr/bin.Linux_2.6_x86_64/cdsMatrix.pyo'>   class SolnScatPot_realPtr(SolnScatPot_real)       Method resolution order: SolnScatPot_realPtr SolnScatPot_real __builtin__.object Methods defined here: __init__(self, this) Methods inherited from SolnScatPot_real: I_contrib(*args) __del__(self, destroy=<built-in function delete_SolnScatPot_real>) __deref__(*args) __getattr__ lambda self, name __mul__(*args) __oldinit__ = __init__(self, *args) __repr__(self) __setattr__ lambda self, name, value angleType(*args) calcDeriv_N(*args) calcDeriv_N2(*args) calcDeriv_uniform(*args) calcEnergy(*args) calcEnergyAndDerivs(*args) calcFGlob(*args) calcGlobCorrect(s, arg='current')          swig can't handle the enumtypemap with this overridden method:          we must do it manually calcGlobCorrect_calcType(*args) calcGlobCorrect_vec(*args) calcI_N(*args) calcI_N2(*args) calcI_multipole(*args) calcI_uniform(*args) calcPosGlob(*args) calcType(*args) calcd(*args) calcdScale(*args) cmpType(*args) convertFormFactors(*args) energyMaybeDerivs0(*args) energyMaybeDerivs1(*args) energyMaybeDerivs2(*args) energyMaybeDerivs3(*args) energyMaybeDerivs4(*args) expt(*args) exptScale(*args) formFactors(*args) globs(*args) iFormFactors(*args) incrRefCount(*args) info(*args) instanceData(*args) instanceName(*args) lMax(*args) normalizeIndex(*args) numAngles(*args) numRestraints(*args) pointer(*args) potName(*args) qValues(*args) registerInstanceData(*args) registerTo(*args) resetPotName(*args) rms(*args) scale(*args) selection(*args) setAngleType(*args) setCalcType(*args) setCmpType(*args) setFormFactors(*args) setGlobs(*args) setIFormFactors(*args) setLMax(*args) setNormalizeIndex(*args) setNumAngles(*args) setQValues(*args) setScale(*args) setThreshold(*args) setUseGlobs(*args) setVerbose(*args) setWeights(*args) simulation(*args) threshold(*args) unRegister(*args) updateValues(*args) useGlobs(*args) verbose(*args) violations(*args) weights(*args) Properties inherited from SolnScatPot_real: QValues get = SolnScatPot_real_QValues_get(...) set = SolnScatPot_real_QValues_set(...) fGlob get = SolnScatPot_real_fGlob_get(...) set = SolnScatPot_real_fGlob_set(...) fValues get = SolnScatPot_real_fValues_get(...) set = SolnScatPot_real_fValues_set(...) globCorrect get = SolnScatPot_real_globCorrect_get(...) set = SolnScatPot_real_globCorrect_set(...) instanceData_ get = SolnScatPot_real_instanceData__get(...) set = SolnScatPot_real_instanceData__set(...) modified get = SolnScatPot_real_modified_get(...) set = SolnScatPot_real_modified_set(...) posGlob get = SolnScatPot_real_posGlob_get(...) set = SolnScatPot_real_posGlob_set(...) registeredSimulations get = SolnScatPot_real_registeredSimulations_get(...) set = SolnScatPot_real_registeredSimulations_set(...) Data and other attributes inherited from SolnScatPot_real: __dict__ = <dictproxy object at 0x14c6130> dictionary for instance variables (if defined) __swig_getmethods__ = {'QValues': <built-in function SolnScatPot_real_QValues_get>, 'fGlob': <built-in function SolnScatPot_real_fGlob_get>, 'fValues': <built-in function SolnScatPot_real_fValues_get>, 'globCorrect': <built-in function SolnScatPot_real_globCorrect_get>, 'instanceData_': <built-in function SolnScatPot_real_instanceData__get>, 'modified': <built-in function SolnScatPot_real_modified_get>, 'posGlob': <built-in function SolnScatPot_real_posGlob_get>, 'registeredSimulations': <built-in function SolnScatPot_real_registeredSimulations_get>} __swig_setmethods__ = {'QValues': <built-in function SolnScatPot_real_QValues_set>, 'fGlob': <built-in function SolnScatPot_real_fGlob_set>, 'fValues': <built-in function SolnScatPot_real_fValues_set>, 'globCorrect': <built-in function SolnScatPot_real_globCorrect_set>, 'instanceData_': <built-in function SolnScatPot_real_instanceData__set>, 'modified': <built-in function SolnScatPot_real_modified_set>, 'posGlob': <built-in function SolnScatPot_real_posGlob_set>, 'registeredSimulations': <built-in function SolnScatPot_real_registeredSimulations_set>} __weakref__ = <attribute '__weakref__' of 'SolnScatPot_real' objects> list of weak references to the object (if defined) cdsMatrix = <module 'cdsMatrix' from '/home/schwitrs/xplor-bzr/bin.Linux_2.6_x86_64/cdsMatrix.pyo'>   class SolnScatPot_real_LetterClass(SolnScattBase)       Method resolution order: SolnScatPot_real_LetterClass SolnScattBase __builtin__.object Methods defined here: I_contrib(*args) __del__(self, destroy=<built-in function delete_SolnScatPot_real_LetterClass>) __getattr__ lambda self, name __init__(self, *args) __repr__(self) __setattr__ lambda self, name, value angleType(*args) calcDeriv_N(*args) calcDeriv_N2(*args) calcDeriv_uniform(*args) calcFGlob(*args) calcGlobCorrect_calcType(*args) calcGlobCorrect_vec(*args) calcI_N(*args) calcI_N2(*args) calcI_multipole(*args) calcI_uniform(*args) calcPosGlob(*args) calcType(*args) calcd(*args) calcdScale(*args) cmpType(*args) convertFormFactors(*args) energyMaybeDerivs0(*args) energyMaybeDerivs1(*args) energyMaybeDerivs2(*args) expt(*args) exptScale(*args) formFactors(*args) globs(*args) iFormFactors(*args) info(*args) lMax(*args) normalizeIndex(*args) numAngles(*args) numRestraints(*args) qValues(*args) rms(*args) selection(*args) setAngleType(*args) setCalcType(*args) setCmpType(*args) setFormFactors(*args) setGlobs(*args) setIFormFactors(*args) setLMax(*args) setNormalizeIndex(*args) setNumAngles(*args) setQValues(*args) setUseGlobs(*args) setVerbose(*args) setWeights(*args) simulation(*args) useGlobs(*args) verbose(*args) violations(*args) weights(*args) Properties defined here: QValues get = SolnScatPot_real_LetterClass_QValues_get(...) set = SolnScatPot_real_LetterClass_QValues_set(...) fGlob get = SolnScatPot_real_LetterClass_fGlob_get(...) set = SolnScatPot_real_LetterClass_fGlob_set(...) fValues get = SolnScatPot_real_LetterClass_fValues_get(...) set = SolnScatPot_real_LetterClass_fValues_set(...) globCorrect get = SolnScatPot_real_LetterClass_globCorrect_get(...) set = SolnScatPot_real_LetterClass_globCorrect_set(...) posGlob get = SolnScatPot_real_LetterClass_posGlob_get(...) set = SolnScatPot_real_LetterClass_posGlob_set(...) Data and other attributes defined here: __swig_getmethods__ = {'QValues': <built-in function SolnScatPot_real_LetterClass_QValues_get>, 'fGlob': <built-in function SolnScatPot_real_LetterClass_fGlob_get>, 'fValues': <built-in function SolnScatPot_real_LetterClass_fValues_get>, 'globCorrect': <built-in function SolnScatPot_real_LetterClass_globCorrect_get>, 'posGlob': <built-in function SolnScatPot_real_LetterC