represent ensemble of structures as a density map.
 
See 
   C.D. Schwieters and G.M. Clore, ``G.M. Reweighted atomic densities 
   to represent ensembles of NMR structures,'' J. Biomol. NMR 23, 221-225
   (2002).
 
 
constructor:
  AtomProb(atomSel,
           atomPosList) - 
    atomSel is a string or atomSel.AtomSel
    atomPosList is a list of atomic coordinates for the structures which
      will make up the map. If it is omitted, coordinates will be take from
      the coordinates assocated with the atomSel argument.
 
 
methods:
  calc()             - calculate density map
  writeEDM(filename) - write map to specified file in xplor edm format
 
  getGrid()            - return the densityGrid.DensityGrid object
                         corresponding to the current coordinates and
                         settings - generated by calc().
  getGridRaw()         - same as above, but immediately returns the
                         DensityGrid object without first updating.
  selection()          - return atomSel given during construction.
  setAtomRadius(val)   - set default atomic radius
  calc()               - compute atomic probability 
 
  calcGradient(derivList,  - given a derivList.DerivList, and dFdRho_ijk,
               dFdRho    )   compute the gradient of dFdq_l
  radiusGradient(dFdRho)   - return a vector with the value of dFdr_l,
                             given dFdRho_ijk.
accessor pairs:
  
  verbose        - boolean
  radii          - vector of atomic radii- one per atom in selection's
                   simulation. Default value is 1 Anstrom.
  atomWeights    - vector of per-atom weights- one per atom in selection's
                   simulation, and distinct from the weights member for
                   per-structure weights. This defaults to 1,
  generateGrid   - boolean. If true, calc() will regenerate the grid
                   extent based on the gridVals member.
  distType      - one of "quartic","gaussian"
  scaleType    - one of "amplitude", "distribution", "normalize",
                 "flat", "volume" or "off". This specifies the normalization
                 of an atom's contribution to the distribution:
                     off and flat  -specify that no normalization be applied:
                                    for each atom contribution in the
                                    supplied atomPosList array a normalized
                                    distribution will be contributed to the
                                    grid.
                     amplitude     -contribution from each atom will be
                                    normalized by the maximum contribution
                                    from that atom.
                     normalize     -same as amplitude, but the prefactor
                                    is divided by an additional
                                    factor proportional to volume.
                     volume        -a normalized distribution is multiplied
                                    by the associated volume. With this
                                    scaleType, all atoms contribute constant
                                    density.
                     distribution  - FIX: ??
                     
  weights        - a list of per structure weights which must be
                              the same length as atomPosList. These weights
                              are normalized.
  isProjection   - if True, generate a 2D projection in a map which has znum=1.
  mapType        - one of "density", "projection", or "height"
                   [default: "density"]
 
  translation    - translation vector t for centering a projection.
  orientation    - Rotation matrix R defining orientation for projection.
                   This transformation is given by:
 
                     q -> R * (q-qc) + qc + t
 
                   where qc is the selection centroid:
 
                     qc = 1/Ns \sum_i q_i
 
                   where Ns is the number of atoms in the selection.
 
  mapResolution  - resolution (Gaussian width) of the experimental map which
                   is fit to, used for Gaussian blurring. This is
                   currently only used by AtomProbProjections, and
                   defaults to 0 (no blurring). 
 
 
members:
 
  gridVals    - a densityGrid.DensityGrid_Params object used to
                generate grid extents if generateGrid is True.
 
  d_dt        - for projections and height maps, after calcGradient is
                called, this is filled with the gradient with respect to the
                translation vector.
 
  d_dR        - for projections and height maps, after calcGradient is called,
                this is filled with the gradient with respect to the
                orientation matrix.
 
 
 
 
# This file was automatically generated by SWIG (http://www.swig.org).
# Version 4.0.2
#
# Do not make changes to this file unless you know what you are doing--modify
# the SWIG interface file instead.

Classes
		builtins.object AtomProb   class AtomProb(builtins.object)     AtomProb(*args, **kwargs)       Methods defined here: __init__(self, *args, **kwargs) Initialize self.  See help(type(self)) for accurate signature. __repr__ = _swig_repr(self) atomRadius(self, *args, **kwargs) -> 'double' atomWeights(self, *args, **kwargs) -> 'CDSVector< float_type > const' calc(self, *args, **kwargs) -> 'void' calcGradient(self, *args, **kwargs) -> 'void' copyGrid(self, *args, **kwargs) -> 'void' distType(self, *args, **kwargs) -> 'AtomProb::DistType' generateGrid(self, *args, **kwargs) -> 'bool const' getGrid(self, *args, **kwargs) -> 'DensityGrid *' getGridRaw(self, *args, **kwargs) -> 'DensityGrid *' gridParams(self, *args, **kwargs) -> 'DensityGrid_Params const' info(self, *args, **kwargs) -> 'String' mapResolution(self, *args, **kwargs) -> 'float_type const' mapType(self, *args, **kwargs) -> 'AtomProb::MapType' modified(self, *args, **kwargs) -> 'bool' orientation(self, *args, **kwargs) -> 'Mat3 const' pyXplorHelp(self, *args, **kwargs) -> 'String' radii(self, *args, **kwargs) -> 'CDSVector< float_type > const' radiusGradient(self, *args, **kwargs) -> 'CDSVector< float_type >' scaleType(self, *args, **kwargs) -> 'AtomProb::ScaleType' selection(self, *args, **kwargs) -> 'AtomSel' setAtomRadius(self, *args, **kwargs) -> 'void' setAtomWeights(self, *args, **kwargs) -> 'void' setDistType(self, *args, **kwargs) -> 'void' setGenerateGrid(self, *args, **kwargs) -> 'void' setGridParams(self, *args, **kwargs) -> 'void' setIsProjection(s, isProjection) backwards compatibility setMapResolution(self, *args, **kwargs) -> 'void' setMapType(self, *args, **kwargs) -> 'void' setOrientation(self, *args, **kwargs) -> 'void' setRadii(self, *args, **kwargs) -> 'void' setScaleType(self, *args, **kwargs) -> 'void' setTranslation(self, *args, **kwargs) -> 'void' setVerbose(self, *args, **kwargs) -> 'void' setWeights(self, *args, **kwargs) -> 'void' translation(self, *args, **kwargs) -> 'Vec3 const' updateValues(self, *args, **kwargs) -> 'void' val(self, *args, **kwargs) -> 'double' verbose(self, *args, **kwargs) -> 'bool const' weights(self, *args, **kwargs) -> 'CDSVector< float_type >' writeEDM(self, *args, **kwargs) -> 'void' Static methods defined here: __swig_destroy__ = delete_AtomProb(...) Data descriptors defined here: __dict__   dictionary for instance variables (if defined) __weakref__   list of weak references to the object (if defined) d_dR   d_dt   thisown   The membership flag Data and other attributes defined here: AMPLITUDE = 0 DENSITY = 0 DISTRIBUTION = 1 FLAT = 3 GAUSSIAN = 1 HEIGHT = 2 NORMALIZE = 2 OFF = 4 PROJECTION = 1 QUARTIC = 0 QUARTICSPREAD = 2 VOLUME = 5

Functions
		pyXplorHelp(*args) -> 'String'

Data
		__CDSVector_hh__ = 1