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'
	CDPL build system information.
int	BUILD_TIME = 202503241340
	The CDPL build time in the format YYYYMMDDHHMM.
string	COMPILER_ID = 'GNU'
	An identifier for the compiler that was used to build the CDPL.
string	COMPILER_VERSION = '8.5.0'
	The version of the compiler that was used to build the CDPL.
bool	HAVE_CAIRO = True
	True if the Cairo 2D Graphics Library is available.
bool	HAVE_CAIRO_PDF_SUPPORT = True
	True if Cairo PDF surfaces are available.
bool	HAVE_CAIRO_PNG_SUPPORT = True
	True if Cairo PNG image output is available.
bool	HAVE_CAIRO_PS_SUPPORT = True
	True if Cairo PostScript surfaces are available.
bool	HAVE_CAIRO_SVG_SUPPORT = True
	True if Cairo SVG surfaces are available.
bool	HAVE_NUMPY = True
	True if the NumPy python module is available.
bool	HAVE_QT = True
	True if the Qt libraries are available.
int	VERSION = 10203
	The full CDPL version number.
int	VERSION_MAJOR = 1
	The CDPL major version.
int	VERSION_MINOR = 2
	The CDPL minor version.
int	VERSION_PATCH = 3
	The CDPL patch-level.
string	VERSION_STRING = '1.2.3'
	The full CDPL version as string.
string	__version__ = '1.2.3'
	The full CDPL version as string.

Detailed Description

The namespace of the Chemical Data Processing Library.