File compound.hpp

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Definition (cif++/compound.hpp)

• Program Listing for File compound.hpp

Detailed Description

This file contains the definition for the class compound, encapsulating the information found for compounds in the CCD.

The data is loaded by default from a file called components.cif. This file is located using load_resource. (See documentation on Function cif::load_resource for more information)

But if the CCP4 environment is available at runtime, the compound information may also be generated from the CCP4 monomer library.

Note that the information in CCP4 and CCD is not equal.

Includes

• cif++/atom_type.hpp (File atom_type.hpp)

• cif++/datablock.hpp (File datablock.hpp)

• cif++/exports.hpp (File exports.hpp)

• cif++/point.hpp (File point.hpp)

• cif++/utilities.hpp (File utilities.hpp)

• map

• set

• tuple

• vector

Included By

• File cif++.hpp

Namespaces

• Namespace cif

Classes

• Struct compound_atom

• Struct compound_bond

• Class compound

• Class compound_factory

Enums

• Enum bond_type

• Enum stereo_config_type

Functions

• Function cif::bond_type_to_string

• Function cif::parse_bond_type_from_string

• Function cif::parse_stereo_config_from_string

• Function cif::to_string