Geometry.rdGeometry.UniformGrid3D_

Package Geometry :: Module rdGeometry :: Class UniformGrid3D_ |
[hide private]
[frames] | no frames]

# Class UniformGrid3D_

     object --+
              |
    ??.instance --+
                  |
                 UniformGrid3D_

    Class to represent a uniform three-dimensional
    cubic grid. Each grid point can store a poisitive integer value. For the sake
    of efficiency these value can either be binary, fit in 2, 4, 8 or 16 bits

Instance Methods | [hide private]
CompareParams(...) Compare the parameters between two grid object... |
GetGridPointIndex(...) Get the index to the grid point closest to the specified point... |
GetGridPointLoc(...) Get the location of the specified grid point... |
GetNumX(...) Get the number of grid points along x-axis... |
GetNumY(...) Get the number of grid points along y-axis... |
GetNumZ(...) Get the number of grid points along z-axis... |
GetOccupancyVect(...) Get the occupancy vector for the grid... |
GetOffset(...) Get the location of the center of the grid... |
GetSize(...) Get the size of the grid (number of grid points)... |
GetSpacing(...) Get the grid spacing... |
GetVal(...) Get the value at the specified grid point... |
GetValPoint(...) Get the value at the closest grid point... |
SetSphereOccupancy(...) Set the occupancy on the grid for a sphere or specified radius... |
SetVal(...) Set the value at the specified grid point... |
SetValPoint(...) Set the value at grid point closest to the specified point... |
__getinitargs__(...) C++ signature:... |
__iadd__(...) C++ signature:... |
__iand__(...) C++ signature:... |
__init__(...) pickle constructor... |
__ior__(...) C++ signature:... |
__isub__(...) C++ signature:... |
__reduce__(...) helper for pickle |
Inherited from `unreachable.instance`: `__new__` Inherited from `object`: `__delattr__`, `__getattribute__`, `__hash__`, `__reduce_ex__`, `__repr__`, `__setattr__`, `__str__`

Class Variables | [hide private]
| __instance_size__ = `64`
| __safe_for_unpickling__ = `True`

Properties | [hide private]
Inherited from `object`: `__class__`

Method Details | [hide private]

### CompareParams(...) |
    Compare the parameters between two grid object
    C++ signature:
        CompareParams(RDGeom::UniformGrid3D {lvalue}, RDGeom::UniformGrid3D) -> bool

### GetGridPointIndex(...) |
    Get the index to the grid point closest to the specified point
    C++ signature:
        GetGridPointIndex(RDGeom::UniformGrid3D {lvalue}, RDGeom::Point3D) -> int

### GetGridPointLoc(...) |
    Get the location of the specified grid point
    C++ signature:
        GetGridPointLoc(RDGeom::UniformGrid3D {lvalue}, unsigned int) -> RDGeom::Point3D

### GetNumX(...) |
    Get the number of grid points along x-axis
    C++ signature:
        GetNumX(RDGeom::UniformGrid3D {lvalue}) -> unsigned int

### GetNumY(...) |
    Get the number of grid points along y-axis
    C++ signature:
        GetNumY(RDGeom::UniformGrid3D {lvalue}) -> unsigned int

### GetNumZ(...) |
    Get the number of grid points along z-axis
    C++ signature:
        GetNumZ(RDGeom::UniformGrid3D {lvalue}) -> unsigned int

### GetOccupancyVect(...) |
    Get the occupancy vector for the grid
    C++ signature:
        GetOccupancyVect(RDGeom::UniformGrid3D {lvalue}) -> RDKit::DiscreteValueVect const*

### GetOffset(...) |
    Get the location of the center of the grid
    C++ signature:
        GetOffset(RDGeom::UniformGrid3D {lvalue}) -> RDGeom::Point3D

### GetSize(...) |
    Get the size of the grid (number of grid points)
    C++ signature:
        GetSize(RDGeom::UniformGrid3D {lvalue}) -> unsigned int

### GetSpacing(...) |
    Get the grid spacing
    C++ signature:
        GetSpacing(RDGeom::UniformGrid3D {lvalue}) -> double

### GetVal(...) |
    Get the value at the specified grid point
    C++ signature:
        GetVal(RDGeom::UniformGrid3D, unsigned int) -> int

### GetValPoint(...) |
    Get the value at the closest grid point
    C++ signature:
        GetValPoint(RDGeom::UniformGrid3D, RDGeom::Point3D) -> int

### SetSphereOccupancy(...) |
    Set the occupancy on the grid for a sphere or specified radius
     and multiple layers around this sphere, with decreasing values of
    occupancy

    C++ signature:
        SetSphereOccupancy(RDGeom::UniformGrid3D {lvalue} self, RDGeom::Point3D center, double radius, double stepSize, int maxLayers=-1, bool ignoreOutOfBound=True) -> void*

### SetVal(...) |
    Set the value at the specified grid point
    C++ signature:
        SetVal(RDGeom::UniformGrid3D {lvalue}, unsigned int, unsigned int) -> void*

### SetValPoint(...) |
    Set the value at grid point closest to the specified point
    C++ signature:
        SetValPoint(RDGeom::UniformGrid3D {lvalue}, RDGeom::Point3D, unsigned int) -> void*

### __getinitargs__(...) |
    C++ signature:
    __getinitargs__(RDGeom::UniformGrid3D) -> boost::python::tuple

### __iadd__(...) |
    C++ signature:
    __iadd__(boost::python::back_reference<RDGeom::UniformGrid3D&>, RDGeom::UniformGrid3D) -> _object*

### __iand__(...) |
    C++ signature:
    __iand__(boost::python::back_reference<RDGeom::UniformGrid3D&>, RDGeom::UniformGrid3D) -> _object*

### __init__(...) (Constructor) |
    pickle constructor
    C++ signature:
        __init__(_object*, std::string) -> void*
Overrides: object.__init__

### __ior__(...) |
    C++ signature:
    __ior__(boost::python::back_reference<RDGeom::UniformGrid3D&>, RDGeom::UniformGrid3D) -> _object*

### __isub__(...) |
    C++ signature:
    __isub__(boost::python::back_reference<RDGeom::UniformGrid3D&>, RDGeom::UniformGrid3D) -> _object*

### __reduce__(...) |
    helper for pickle
Overrides: object.__reduce__ (inherited documentation)