CDPL Package Reference

The namespace of the Chemical Data Processing Library. More...

Packages
	Base
	Contains core framework classes and functions.
	Biomol
	Contains classes and functions related to biological macromolecules.
	Chem
	Contains classes and functions related to chemistry.
	ConfGen
	Contains classes and functions related to conformer ensemble generation.
	Descr
	Contains classes and functions related to the generation and processing of pharmacophore and molecule descriptors.
	ForceField
	Contains classes and functions related to molecular force fields.
	GRAIL
	Contains classes and functions related to the GRAIL method [GRAIL].
	Grid
	Contains classes and functions related to grid based data representation and processing.
	Math
	Contains classes and functions related to mathematics.
	MolProp
	Contains classes and functions related to the calculation/preciction of physicochemical molecular properties.
	Pharm
	Contains classes and functions related to pharmacophore perception and pharmacophore applications.
	Shape
	Contains classes and functions related to molecular shape representation and processing.
	Util
	Contains general purpose algorithms, containers, functors and other classes.
	Vis
	Contains classes and functions related to data visualization.

Variables
string	BUILD_SYSTEM = 'Linux-4.18.0-486.el8.x86_64'
int	BUILD_TIME = 202410241958
string	COMPILER_ID = 'GNU'
string	COMPILER_VERSION = '8.5.0'
bool	HAVE_CAIRO = True
bool	HAVE_CAIRO_PDF_SUPPORT = True
bool	HAVE_CAIRO_PNG_SUPPORT = True
bool	HAVE_CAIRO_PS_SUPPORT = True
bool	HAVE_CAIRO_SVG_SUPPORT = True
bool	HAVE_NUMPY = True
bool	HAVE_QT = True
int	VERSION = 10200
int	VERSION_MAJOR = 1
int	VERSION_MINOR = 2
int	VERSION_PATCH = 0
string	VERSION_STRING = '1.2.0.dev1'

Detailed Description

The namespace of the Chemical Data Processing Library.