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Framework User Interface

Both graphical and text-based user interfaces are provided with the Ccaffeine framework. In batch environments, directives are supplied to the framework in a resource configuration or RC file. Commonly used directives are described in the following sections.

Setting the Component Search Path

The user informs the framework of component library locations using the path set and path append directives. The directories specified should include *.so and *.cca files.
To set the component path to /usr/local/cca/chemistry/lib:
path set /usr/local/cca/chemistry/lib

To add /home/user/tao-devel/lib/libO_c++/linux to the path:
path append /home/user/tao-devel/lib/libO_c++/linux

Instantiating Components

Instantiating a component requires two steps.
To load information from the *.cca file regarding Chemistry.Chemistry_MoleculeFactory:
repository get-global Chemistry.Chemistry_MoleculeFactory

To load the *.so file and instantiate a Chemistry.Chemistry_MoleculeFactory object with identifier molfactory:
create Chemistry.Chemistry_MoleculeFactory molfactory

Connecting Ports

In addition to the interface, a port identifier is supplied by a component during port registration. A connection directive requires component and port identifiers for both components involved.
To connect the uses port with id ModelFactory on the component with id coormodel with the provides port with id ModelFactory on the component with id factory:
connect coormodel ModelFactory factory ModelFactory

Note that while the interfaces for connected uses and provides ports must match, the port identifiers need not match.

Configuring Parameter Ports

Special configurable parameter ports are provided by many components. These are directly configurable by the framework through the parameter directive.
To configure the method port on the component with id solver with value tao_lmvm:
parameter solver configure method tao_lmvm

Starting Calculations with Go Ports

When running in the Ccaffeine framework (not the PyView GUI), a special go port must be provided by the component which starts the calculation.
To "go" the component with id driver:
go driver go

Exiting

To exit the framework:
exit
Generated on Wed Oct 19 10:04:28 2005 for cca-chem-apps by  doxygen 1.3.9.1