BALL  1.5.0
Modules
Here is a list of all modules:
[detail level 1234]
 Foundation Classes
 Common Definitions
 Concepts
 Iterators
 Object Persistence.
 Class Black Box TestingTo provide a maximum reliability for all BALL classes, each class provides its own test program to ensure that each class compiles and behaves (at least basically) as intended
 Benchmarking of classes.source/BENCHMARKS/Skeleton_bench.C
 Miscellaneous
 General datastructures
 Generic Datastructures for Regularly Spaced Data
 Generic Hash Associative Containers
 Three-dimensional Hash Grid
 Miscellaneous
 StringAn improved version of STL string
 Mathematics
 Analytical GeometryRepresentation of analytical geometry functions, using the classes: TAngle, TCircle3, TLine3, TPlane3, TSphere3, TVector3
 Primitive datatypes
 Representation of angles.Class TAngle and class Angle
 4x4 MatrixMatrix representing transformations: class TMatrix4x4 and class Matrix4x4
 Two-dimensional vectors.Representation of points and vectors in two-dimensional space: class TVector2 and class Vector2
 Three-dimensional vector.Representation of points and vectors in three-dimensional space: class TVector3 and class Vector3
 Four-dimensional vector.
 Geometric objects
 Generic three-dimensional box.
 Generic three-dimensional circle.
 Generic Line in Three-Dimensional Space.
 Plane in three-dimensional space.
 Box
 Sphere
 Surface in three-dimensional space.
 Fast Fourier Transforms
 Function classes
 support
 Operating system support
 Kernel ClassesThis chapter contains all relevant information on BALL kernel datastructures.
The hierarchy of the kernel classes looks like this:
 Molecular Datastructures
 Iterator Classes
 Miscellaneous
 Periodic Table of ElementsThese classes represent elements and the periodic table of elements. The Element class is used to describe common properties of atoms (e.g., mass, nuclear charge, element symbol). Elements can be retrieved from the PTE object (Periodic Table of Elements) which is a global instance of PTE_
 Kernel Predicates
 Molecular Modeling
 Energy evaluation (non-MM)
 Electrostatic energy
 Miscellaneous
 File Formats
 Molecular structure file formats
 Molecular Dynamics Trajectory File Formats
 General Purpose File Formats
 Support for hierarchical text data.
 NMR File Formats
 Molecular Mechanics
 AMBER Force Field.
 CHARMM Force Field.
 General Force Field Classes.
 Rule-based parameter assignment
 Molecular Dynamics Simulation
 Energy Minimizer
 MMFF94 Force Field.
 Force Field Parameters
 Nuclear Magnetic Resonance Spectroscopy
 Shift model classes
 NMR spectra and related classes
 Shift modules
 QSAR – Quantitative Structure Activity Relationship.
 Molecular Descriptors
 Solvation methods
 Molecular Structure
 Rotamers
 Radial Distribution Functions
 Molecular Surface Computation
 Miscellaneous
 Creation of peptides
 Matching of submolecular structures
 Mapping of molecular structures
 Geometric property processors.The applicators, processors, and collectors described in this chapter are used to extract geometric properties out of a given molecular object or to extract parts of these objects according to their geometric properties
 Docking of molecular structures
 X-Ray Crystallography
 Visualisation
 Datatypes for the VIEW framework
 Different color classes
 Format conversion classes used by the color classes
 Helper Base Classes for derived GeometricObject 's
 QT Dialogs
 Kernel
 Client/Server request handling
 Widget connectivity and message queuing
 Messages
 Geometric primitives and their management
 Setup of the Stage, Camera and LightSources
 Other classes
 Model Processors
 Geometric Objects
 Renderer
 Modular Widgets
 PythonBALL provides classes for the extension of Python, an object oriented script language. Since the language concepts of C++ and Python are rather dissimilar, several concepts had to be ported and modified. This chapter describes the BALL classes that implement these interface classes
 Python extensions
 Common Mathematical FunctionsNamespace: BALL::Maths