Package Scientific

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# Package Scientific

ScientificPython is a collection of Python modules that are useful for scientific computing. In this collection you will find modules that cover basic geometry (vectors, tensors, transformations, vector and tensor fields), quaternions, automatic derivatives, (linear) interpolation, polynomials, elementary statistics, nonlinear least-squares fits, unit calculations, Fortran-compatible text formatting, 3D visualization via VRML, and two Tk widgets for simple line plots and 3D wireframe models. There are also interfaces to the netCDF library (portable structured binary files), to MPI (Message Passing Interface, message-based parallel programming), and to BSPlib (Bulk Synchronous Parallel programming). For details consult the manual.

Version: 2.9.0

Submodules

- Scientific.BSP: High-level parallelization constructs based on the Bulk Synchronous Parallel (BSP) model.
  - Scientific.BSP.Console: Interactive console for parallel computing
  - Scientific.BSP.IO: Parallel acces to netCDF files
- Scientific.Clustering
  - Scientific.Clustering.AffinityPropagation: Clustering by Affinity Propagation
- Scientific.DictWithDefault: Dictionary with default values
- Scientific.DistributedComputing
  - Scientific.DistributedComputing.MasterSlave: Distributed computing using a master-slave model
  - Scientific.DistributedComputing.TaskManager
- Scientific.FFT
- Scientific.Functions
  - Scientific.Functions.Derivatives: Automatic differentiation for functions of any number of variables up to any order
  - Scientific.Functions.FindRoot: Newton-Raphson for numerical root finding
  - Scientific.Functions.FirstDerivatives: Automatic differentiation for functions with any number of variables
  - Scientific.Functions.Interpolation: Interpolation of functions defined on a grid
  - Scientific.Functions.LeastSquares: Non-linear least squares fitting
  - Scientific.Functions.Polynomial: Polynomials in any number of variables
  - Scientific.Functions.Rational: Rational functions in one variable
  - Scientific.Functions.Romberg: Numerical integration using the Romberg algorithm
- Scientific.Geometry: Geometrical quantities and objects
  - Scientific.Geometry.Objects3D: Geometrical objects in 3D space
  - Scientific.Geometry.Quaternion: Quaternions as representations of rotations in 3D space
  - Scientific.Geometry.TensorAnalysis: Vector and tensor fields with derivatives
  - Scientific.Geometry.Transformation: Linear transformations in 3D space
- Scientific.IO
  - Scientific.IO.ArrayIO: Basic support for I/O of one- and two-dimensional numerical arrays to and from plain text files
  - Scientific.IO.FortranFormat: Fortran-style formatted input/output
  - Scientific.IO.NetCDF: Python interface to the netCDF library
  - Scientific.IO.PDB: Parsing and writing of Protein Data Bank (PDB) files
  - Scientific.IO.PDBSpaceGroups
  - Scientific.IO.TextFile: Text files with line iteration and transparent compression
- Scientific.MPI: Python interface to the Message Passing Interface (MPI)
  - Scientific.MPI.IO: I/O utilities for use with MPI programs
- Scientific.NRNG
- Scientific.NumberDict: Dictionary storing numerical values
- Scientific.Physics
  - Scientific.Physics.PhysicalQuantities: Physical quantities with units.
  - Scientific.Physics.Potential: Potential energy functions with automatic gradient evaluation
- Scientific.QtWidgets
  - Scientific.QtWidgets.QtPlotCanvas: Plot widget for Qt user interfaces
  - Scientific.QtWidgets.QtVisualizationCanvas: 3D wireframe canvas widget for Qt
- Scientific.Signals
  - Scientific.Signals.Models: Auto-regressive model for stochastic processes
- Scientific.Statistics: Basic monovariate statistics
  - Scientific.Statistics.Histogram: Standard and weighted histograms
- Scientific.Threading
  - Scientific.Threading.TaskManager: Parallel task manager for shared-memory multiprocessor machines
- Scientific.TkWidgets
  - Scientific.TkWidgets.TkPlotCanvas: Plot widget for Tk user interfaces
  - Scientific.TkWidgets.TkVisualizationCanvas: 3D wireframe canvas widget for Tk
- Scientific.Visualization: Scientific visualization
  - Scientific.Visualization.Color: Color definitions for use in the modules VRML, VRML2, VMD, and PyMOL.
  - Scientific.Visualization.PyMOL: Definitions of simple 3D graphics objects and scenes containing them, in a form that can be fed to the molecular visualization program PyMOL
  - Scientific.Visualization.VMD: Definitions of simple 3D graphics objects and scenes containing them, in a form that can be fed to the molecular visualization program VMD
  - Scientific.Visualization.VPython: Definitions of simple 3D graphics objects and scenes containing them, to be rendered using VPython
  - Scientific.Visualization.VRML: Definitions of simple 3D graphics objects and VRML scenes containing them
  - Scientific.Visualization.VRML2: Definitions of simple 3D graphics objects and VRML scenes containing them
- Scientific.indexing: Array indexing utility

Classes
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