Geometry

Package Geometry |
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# Package Geometry

source code

    A module for Geometry stuff

Submodules | [hide private]
Geometry.rdGeometry: Module containing geomtery objects like points, grids etc

Functions | [hide private]
ComputeGridCentroid(...) Compute the grid point at the center of sphere around a Point3D... | source code
FindGridTerminalPoints(...) Find a grid's terminal points (defined in the subshape algorithm). | source code
ProtrudeDistance(...) Compute the protrude distance between two grid objects... | source code
TanimotoDistance(...) Compute the tanimoto distance between two grid objects... | source code
UniformGrid3D(...) Faking the constructor... | source code
WriteGridToFile(...) Write the grid to a grid file... | source code

Function Details | [hide private]

### ComputeGridCentroid(...) | source code
    Compute the grid point at the center of sphere around a Point3D
    C++ signature:
        ComputeGridCentroid(RDGeom::UniformGrid3D, RDGeom::Point3D, double) -> boost::python::tuple

### FindGridTerminalPoints(...) | source code
    Find a grid's terminal points (defined in the subshape algorithm).
    C++ signature:
        FindGridTerminalPoints(RDGeom::UniformGrid3D, double, double) -> boost::python::tuple

### ProtrudeDistance(...) | source code
    Compute the protrude distance between two grid objects
    C++ signature:
        ProtrudeDistance(RDGeom::UniformGrid3D, RDGeom::UniformGrid3D) -> double

### TanimotoDistance(...) | source code
    Compute the tanimoto distance between two grid objects
    C++ signature:
        TanimotoDistance(RDGeom::UniformGrid3D, RDGeom::UniformGrid3D) -> double

### UniformGrid3D(...) | source code
    Faking the constructor
    C++ signature:
        UniformGrid3D(double dimX, double dimY, double dimZ, double spacing=0.5, RDKit::DiscreteValueVect::DiscreteValueType valType=DataStructs.cDataStructs.DiscreteValueType.TWOBITVALUE, RDGeom::Point3D const* offSet=None) -> RDGeom::UniformGrid3D*

### WriteGridToFile(...) | source code
    Write the grid to a grid file
    C++ signature:
        WriteGridToFile(RDGeom::UniformGrid3D, std::string) -> void*