surface area calculator
 
 SurfaceArea objects are usually created using the create_SurfaceArea 
function from the surfaceTools module.
 
constructor: 
  SurfaceArea(radii, atomSel)
   radii is list of length numAtoms containing atomic radii. These are 
   effective radii- any solvent radius should be pre-added.
   atomSelection is selection used in the surface area calculation.
              
 
  singleAtom(atom, altRadius=-1., saveData =0)
   calculate and return exposed solvent accessible surface area for the 
    specified atom. Only those neighboring atoms included in selection
    are included in this calculation.
    An alternative radius for this one atom can be optionally specified.
    also information from a previous calc can be passed in as saveData
     - this will speed things up if the atoms haven't moved too much.
 
  singleAtomDerivs(DerivList&);
   calculate derivatives wrt surface area info. This must be called after
    singleAtom, and before atoms have moved.
 
  saveData()
    return the SaveData info corresponding to the most recent singleAtom() 
    call.
 
 
  radius(Atom)        setRadius(Atom, num)
    get/set the effective radius of the specified atom.
 
  selection()         setSelection(atomSel);
    get/set atoms to include in surface area calc.
 
  simulation()
    get the simulation associated with selection()
 
  verbose()           setVerbose(val)  
    get/set the verbosity level (0-4) [default:0]
 
  useConvexHull()     setUseConvexHull(val)
    get/set the value of useConvexHull. This specifies whether the Convex Hull
    neighbor culling algorithm is used. See Fraczkiewicz and Braun, J. Comp. 
    Chem 19, 319 (1998) for more details. [default:0(off)]
 
  useSphereMetric()   setUseSphereMetric(boolVal)
  sphereGridSize()    setSphereGridSize(intVal)
    sphere metric approximation: divide sphere evenly (by surface are)
    into grids. For each neighbor find the closest grid and calculate a
    metric based on how much surface of cAtom is occluded. For each grid point
    retain only that atom which has the maximum metric.
    thus, the number of neighbors is reduced. [off by default]
 
  moveTol()           setMoveTol(floatVal)
    how much movement to allow before recalcing neighbor identity [default: 0.]
  
  setModified()
    notify object that atom positions have changed.
 
  updateTouchingList()
    update the array of lists of touching atoms.
 
 
 
 
# This file was automatically generated by SWIG (http://www.swig.org).
# Version 4.0.2
#
# Do not make changes to this file unless you know what you are doing--modify
# the SWIG interface file instead.

Classes
		builtins.object CDSList_CDSList_SA_Arc CDSList_SA_Arc CDSList_rc_Neighbor SA_Arc SA_ArcDerivInfo SA_Neighbor SA_TouchingList SA_Vertex SurfaceArea SurfaceAreaSaveData rc_ptr_SA_ArcDerivInfo rc_ptr_SA_Neighbor rc_ptr_SA_Vertex rc_ptr_SurfaceAreaSaveData   class CDSList_CDSList_SA_Arc(builtins.object)     CDSList_CDSList_SA_Arc(*args)       Methods defined here: __delitem__(self, *args, **kwargs) -> 'void' __getitem__(self, *args) -> 'CDSList< CDSList< SA_Arc,10 > >' __getslice__(self, *args, **kwargs) -> 'CDSList< CDSList< SA_Arc,10 > >' __init__(self, *args) Initialize self.  See help(type(self)) for accurate signature. __len__(self, *args, **kwargs) -> 'int' __repr__ = _swig_repr(self) __setitem__(self, *args, **kwargs) -> 'void' append(self, *args, **kwargs) -> 'void' help(self, *args, **kwargs) -> 'String' remove(self, *args, **kwargs) -> 'void' removeAll(self, *args, **kwargs) -> 'void' Static methods defined here: __swig_destroy__ = delete_CDSList_CDSList_SA_Arc(...) Data descriptors defined here: __dict__   dictionary for instance variables (if defined) __weakref__   list of weak references to the object (if defined) thisown   The membership flag   class CDSList_SA_Arc(builtins.object)     CDSList_SA_Arc(*args)       Methods defined here: __delitem__(self, *args, **kwargs) -> 'void' __getitem__(self, *args) -> 'CDSList< SA_Arc >' __getslice__(self, *args, **kwargs) -> 'CDSList< SA_Arc >' __init__(self, *args) Initialize self.  See help(type(self)) for accurate signature. __len__(self, *args, **kwargs) -> 'int' __repr__ = _swig_repr(self) __setitem__(self, *args, **kwargs) -> 'void' append(self, *args, **kwargs) -> 'void' help(self, *args, **kwargs) -> 'String' remove(self, *args, **kwargs) -> 'void' removeAll(self, *args, **kwargs) -> 'void' Static methods defined here: __swig_destroy__ = delete_CDSList_SA_Arc(...) Data descriptors defined here: __dict__   dictionary for instance variables (if defined) __weakref__   list of weak references to the object (if defined) thisown   The membership flag   class CDSList_rc_Neighbor(builtins.object)     CDSList_rc_Neighbor(*args)       Methods defined here: __delitem__(self, *args, **kwargs) -> 'void' __getitem__(self, *args) -> 'CDSList< CDS::rc_ptr< SA_Neighbor > >' __getslice__(self, *args, **kwargs) -> 'CDSList< CDS::rc_ptr< SA_Neighbor > >' __init__(self, *args) Initialize self.  See help(type(self)) for accurate signature. __len__(self, *args, **kwargs) -> 'int' __repr__ = _swig_repr(self) __setitem__(self, *args, **kwargs) -> 'void' append(self, *args, **kwargs) -> 'void' help(self, *args, **kwargs) -> 'String' remove(self, *args, **kwargs) -> 'void' removeAll(self, *args, **kwargs) -> 'void' Static methods defined here: __swig_destroy__ = delete_CDSList_rc_Neighbor(...) Data descriptors defined here: __dict__   dictionary for instance variables (if defined) __weakref__   list of weak references to the object (if defined) thisown   The membership flag   class SA_Arc(builtins.object)     SA_Arc(*args)       Methods defined here: __init__(self, *args) Initialize self.  See help(type(self)) for accurate signature. __repr__ = _swig_repr(self) ni(self, *args, **kwargs) -> 'SA_Neighbor const *' nj(self, *args, **kwargs) -> 'SA_Neighbor const *' nk(self, *args, **kwargs) -> 'SA_Neighbor const *' Static methods defined here: __swig_destroy__ = delete_SA_Arc(...) Data descriptors defined here: Omega   Phi   S   __dict__   dictionary for instance variables (if defined) __weakref__   list of weak references to the object (if defined) cosTheta   derivInfo   m   n   thisown   The membership flag v0   v1   vertexIndex     class SA_ArcDerivInfo(builtins.object)     SA_ArcDerivInfo(*args, **kwargs)       Methods defined here: __init__(self, *args, **kwargs) Initialize self.  See help(type(self)) for accurate signature. __repr__ = _swig_repr(self) Static methods defined here: __swig_destroy__ = delete_SA_ArcDerivInfo(...) Data descriptors defined here: __dict__   dictionary for instance variables (if defined) __weakref__   list of weak references to the object (if defined) dP   dPhi   dPhiNext   dPhiPrev   dQ   dg   du   thisown   The membership flag   class SA_Neighbor(builtins.object)     SA_Neighbor(*args, **kwargs)       Methods defined here: __eq__(self, *args, **kwargs) -> 'bool' Return self==value. __init__(self, *args, **kwargs) Initialize self.  See help(type(self)) for accurate signature. __repr__ = _swig_repr(self) pos(self, *args, **kwargs) -> 'Vec3' radius(self, *args, **kwargs) -> 'float_type' update(self, *args, **kwargs) -> 'void' Static methods defined here: __swig_destroy__ = delete_SA_Neighbor(...) Data descriptors defined here: __dict__   dictionary for instance variables (if defined) __weakref__   list of weak references to the object (if defined) a   atom   d   g   index   pos_   r   thisown   The membership flag u   Data and other attributes defined here: __hash__ = None   class SA_TouchingList(builtins.object)     SA_TouchingList(*args, **kwargs)       Methods defined here: __init__(self, *args, **kwargs) Initialize self.  See help(type(self)) for accurate signature. __repr__ = _swig_repr(self) update(self, *args, **kwargs) -> 'void' Static methods defined here: __swig_destroy__ = delete_SA_TouchingList(...) Data descriptors defined here: __dict__   dictionary for instance variables (if defined) __weakref__   list of weak references to the object (if defined) engulfed   posCache   thisown   The membership flag   class SA_Vertex(builtins.object)     SA_Vertex(*args, **kwargs)       Methods defined here: __init__(self, *args, **kwargs) Initialize self.  See help(type(self)) for accurate signature. __repr__ = _swig_repr(self) swapNeighbors(self, *args, **kwargs) -> 'void' update(self, *args, **kwargs) -> 'void' Static methods defined here: __swig_destroy__ = delete_SA_Vertex(...) Data descriptors defined here: __dict__   dictionary for instance variables (if defined) __weakref__   list of weak references to the object (if defined) cosPhi   eta   gamma   n0   n1   omega   pos   sinPhi   tau0   tau1   thisown   The membership flag   class SurfaceArea(builtins.object)     SurfaceArea(*args, **kwargs)       Methods defined here: __init__(self, *args, **kwargs) Initialize self.  See help(type(self)) for accurate signature. __repr__ = _swig_repr(self) moveTol(self, *args, **kwargs) -> 'float_type const' pyXplorHelp(self, *args, **kwargs) -> 'String' radius(self, *args, **kwargs) -> 'float_type' saveData(self, *args, **kwargs) -> 'SurfaceArea::SaveData_p' selection(self, *args, **kwargs) -> 'AtomSel const &' setMoveTol(self, *args, **kwargs) -> 'void' setRadius(self, *args, **kwargs) -> 'void' setSelection(self, *args, **kwargs) -> 'void' setSphereGridSize(self, *args, **kwargs) -> 'void' setUseConvexHull(self, *args, **kwargs) -> 'void' setUseSphereMetric(self, *args, **kwargs) -> 'void' setVerbose(self, *args, **kwargs) -> 'void' simulation(self, *args, **kwargs) -> 'Simulation const *' singleAtom(self, *args, **kwargs) -> 'float_type' singleAtomDerivs(self, *args, **kwargs) -> 'void' sphereGridSize(self, *args, **kwargs) -> 'int const' useConvexHull(self, *args, **kwargs) -> 'bool const' useSphereMetric(self, *args, **kwargs) -> 'bool const' verbose(self, *args, **kwargs) -> 'int const' Static methods defined here: __swig_destroy__ = delete_SurfaceArea(...) Data descriptors defined here: __dict__   dictionary for instance variables (if defined) __weakref__   list of weak references to the object (if defined) thisown   The membership flag   class SurfaceAreaSaveData(builtins.object)     SurfaceAreaSaveData(*args, **kwargs)       Methods defined here: __init__(self, *args, **kwargs) Initialize self.  See help(type(self)) for accurate signature. __repr__ = _swig_repr(self) Static methods defined here: __swig_destroy__ = delete_SurfaceAreaSaveData(...) Data descriptors defined here: __dict__   dictionary for instance variables (if defined) __weakref__   list of weak references to the object (if defined) cAtomPos   isoContrib   isolated   paths   thisown   The membership flag   class rc_ptr_SA_ArcDerivInfo(builtins.object)     rc_ptr_SA_ArcDerivInfo(*args)       Methods defined here: __deref__(self, *args, **kwargs) -> 'SA_ArcDerivInfo *' __init__(self, *args) Initialize self.  See help(type(self)) for accurate signature. __ref__(self, *args, **kwargs) -> 'SA_ArcDerivInfo &' __repr__ = _swig_repr(self) count(self, *args, **kwargs) -> 'int' decr(self, *args, **kwargs) -> 'void' forceDelete(self, *args, **kwargs) -> 'void' incr(self, *args, **kwargs) -> 'void' ptr(self, *args, **kwargs) -> 'SA_ArcDerivInfo *' release(self, *args, **kwargs) -> 'SA_ArcDerivInfo *' reset(self, *args, **kwargs) -> 'void' Static methods defined here: __swig_destroy__ = delete_rc_ptr_SA_ArcDerivInfo(...) Data descriptors defined here: __dict__   dictionary for instance variables (if defined) __weakref__   list of weak references to the object (if defined) dP   dPhi   dPhiNext   dPhiPrev   dQ   dg   du   thisown   The membership flag   class rc_ptr_SA_Neighbor(builtins.object)     rc_ptr_SA_Neighbor(*args)       Methods defined here: __deref__(self, *args, **kwargs) -> 'SA_Neighbor *' __eq__(self, *args, **kwargs) -> 'bool' Return self==value. __init__(self, *args) Initialize self.  See help(type(self)) for accurate signature. __ref__(self, *args, **kwargs) -> 'SA_Neighbor &' __repr__ = _swig_repr(self) count(self, *args, **kwargs) -> 'int' decr(self, *args, **kwargs) -> 'void' forceDelete(self, *args, **kwargs) -> 'void' incr(self, *args, **kwargs) -> 'void' pos(self, *args, **kwargs) -> 'Vec3' ptr(self, *args, **kwargs) -> 'SA_Neighbor *' radius(self, *args, **kwargs) -> 'float_type' release(self, *args, **kwargs) -> 'SA_Neighbor *' reset(self, *args, **kwargs) -> 'void' update(self, *args, **kwargs) -> 'void' Static methods defined here: __swig_destroy__ = delete_rc_ptr_SA_Neighbor(...) Data descriptors defined here: __dict__   dictionary for instance variables (if defined) __weakref__   list of weak references to the object (if defined) a   atom   d   g   index   pos_   r   thisown   The membership flag u   Data and other attributes defined here: __hash__ = None   class rc_ptr_SA_Vertex(builtins.object)     rc_ptr_SA_Vertex(*args)       Methods defined here: __deref__(self, *args, **kwargs) -> 'SA_Vertex *' __init__(self, *args) Initialize self.  See help(type(self)) for accurate signature. __ref__(self, *args, **kwargs) -> 'SA_Vertex &' __repr__ = _swig_repr(self) count(self, *args, **kwargs) -> 'int' decr(self, *args, **kwargs) -> 'void' forceDelete(self, *args, **kwargs) -> 'void' incr(self, *args, **kwargs) -> 'void' ptr(self, *args, **kwargs) -> 'SA_Vertex *' release(self, *args, **kwargs) -> 'SA_Vertex *' reset(self, *args, **kwargs) -> 'void' swapNeighbors(self, *args, **kwargs) -> 'void' update(self, *args, **kwargs) -> 'void' Static methods defined here: __swig_destroy__ = delete_rc_ptr_SA_Vertex(...) Data descriptors defined here: __dict__   dictionary for instance variables (if defined) __weakref__   list of weak references to the object (if defined) cosPhi   eta   gamma   n0   n1   omega   pos   sinPhi   tau0   tau1   thisown   The membership flag   class rc_ptr_SurfaceAreaSaveData(builtins.object)     rc_ptr_SurfaceAreaSaveData(*args)       Methods defined here: __deref__(self, *args, **kwargs) -> 'SurfaceAreaSaveData *' __init__(self, *args) Initialize self.  See help(type(self)) for accurate signature. __ref__(self, *args, **kwargs) -> 'SurfaceAreaSaveData &' __repr__ = _swig_repr(self) count(self, *args, **kwargs) -> 'int' decr(self, *args, **kwargs) -> 'void' forceDelete(self, *args, **kwargs) -> 'void' incr(self, *args, **kwargs) -> 'void' ptr(self, *args, **kwargs) -> 'SurfaceAreaSaveData *' release(self, *args, **kwargs) -> 'SurfaceAreaSaveData *' reset(self, *args, **kwargs) -> 'void' Static methods defined here: __swig_destroy__ = delete_rc_ptr_SurfaceAreaSaveData(...) Data descriptors defined here: __dict__   dictionary for instance variables (if defined) __weakref__   list of weak references to the object (if defined) cAtomPos   isoContrib   isolated   paths   thisown   The membership flag

Functions
		pyXplorHelp(*args) -> 'String'